USER Name = /Users/jason/temp/1hvr/HIV_peptide.pdb USER x y z vdW Elec q Type USER _______ _______ _______ _____ _____ ______ ____ ROOT HETATM 1 C SER A 1 0.371 -6.748 -2.775 0.00 0.00 +0.214 C HETATM 2 O SER A 1 1.264 -6.413 -1.999 0.00 0.00 -0.447 OA HETATM 3 N GLN A 2 -0.188 -5.907 -3.648 0.00 0.00 -0.233 NA HETATM 4 CA GLN A 2 0.222 -4.521 -3.746 0.00 0.00 +0.182 C HETATM 5 C GLN A 2 0.068 -3.833 -2.396 0.00 0.00 +0.245 C HETATM 6 O GLN A 2 0.975 -3.137 -1.946 0.00 0.00 -0.273 OA HETATM 7 N ASN A 3 -1.085 -4.031 -1.753 0.00 0.00 -0.296 N HETATM 8 CA ASN A 3 -1.353 -3.432 -0.461 0.00 0.00 +0.158 C HETATM 9 C ASN A 3 -0.280 -3.840 0.538 0.00 0.00 +0.241 C HETATM 10 O ASN A 3 0.250 -2.998 1.259 0.00 0.00 -0.273 OA HETATM 11 N TYR A 4 0.037 -5.136 0.578 0.00 0.00 -0.297 N HETATM 12 CA TYR A 4 1.043 -5.650 1.486 0.00 0.00 +0.153 C HETATM 13 C TYR A 4 2.368 -4.937 1.257 0.00 0.00 +0.247 C HETATM 14 O TYR A 4 3.015 -4.506 2.209 0.00 0.00 -0.273 OA HETATM 15 N PRO A 5 2.769 -4.813 -0.010 0.00 0.00 -0.239 N HETATM 16 CA PRO A 5 4.012 -4.154 -0.359 0.00 0.00 +0.155 C HETATM 17 CB PRO A 5 4.151 -4.403 -1.818 0.00 0.00 +0.035 C HETATM 18 CG PRO A 5 3.460 -5.703 -2.151 0.00 0.00 +0.068 C HETATM 19 CD PRO A 5 2.214 -5.735 -1.317 0.00 0.00 +0.248 C HETATM 20 H ASN A 3 -1.773 -4.600 -2.168 0.00 0.00 +0.150 HD HETATM 21 H TYR A 4 -0.426 -5.760 -0.026 0.00 0.00 +0.150 HD ENDROOT BRANCH 16 22 HETATM 22 C PRO A 5 4.022 -2.734 0.188 0.00 0.00 +0.241 C HETATM 23 O PRO A 5 5.005 -2.306 0.790 0.00 0.00 -0.273 OA HETATM 24 N ILE A 6 2.924 -2.004 -0.022 0.00 0.00 -0.297 N HETATM 25 H ILE A 6 2.170 -2.405 -0.511 0.00 0.00 +0.150 HD BRANCH 24 26 HETATM 26 CA ILE A 6 2.810 -0.638 0.449 0.00 0.00 +0.149 C BRANCH 26 27 HETATM 27 C ILE A 6 3.025 -0.585 1.955 0.00 0.00 +0.241 C HETATM 28 O ILE A 6 3.775 0.255 2.447 0.00 0.00 -0.273 OA HETATM 29 N VAL A 7 2.363 -1.485 2.685 0.00 0.00 -0.295 N HETATM 30 H VAL A 7 1.777 -2.132 2.230 0.00 0.00 +0.150 HD BRANCH 29 31 HETATM 31 CA VAL A 7 2.482 -1.537 4.128 0.00 0.00 +0.171 C BRANCH 31 32 HETATM 32 CB VAL A 7 1.693 -2.702 4.705 0.00 0.00 +0.029 C HETATM 33 CG2 VAL A 7 0.206 -2.483 4.445 0.00 0.00 +0.002 C HETATM 34 CG1 VAL A 7 1.939 -2.786 6.208 0.00 0.00 +0.002 C ENDBRANCH 31 32 BRANCH 31 35 HETATM 35 C VAL A 7 3.941 -1.717 4.526 0.00 0.00 +0.332 C HETATM 36 OXT VAL A 7 4.579 -2.581 3.930 0.00 0.00 -0.248 OA BRANCH 35 37 HETATM 37 O VAL A 7 4.371 -0.984 5.414 0.00 0.00 -0.479 OA HETATM 38 H VAL A 7 3.807 -0.351 5.813 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 39 HETATM 39 CB ILE A 6 1.422 -0.103 0.133 0.00 0.00 +0.027 C HETATM 40 CG2 ILE A 6 1.239 1.256 0.801 0.00 0.00 +0.002 C BRANCH 39 41 HETATM 41 CG1 ILE A 6 1.272 0.049 -1.377 0.00 0.00 +0.002 C HETATM 42 CD1 ILE A 6 -0.190 0.317 -1.718 0.00 0.00 +0.000 C ENDBRANCH 39 41 ENDBRANCH 26 39 ENDBRANCH 24 26 ENDBRANCH 16 22 BRANCH 8 43 HETATM 43 CB ASN A 3 -2.699 -3.882 0.087 0.00 0.00 +0.114 C BRANCH 43 44 HETATM 44 CG ASN A 3 -3.839 -3.131 -0.586 0.00 0.00 +0.222 C HETATM 45 OD1 ASN A 3 -3.729 -2.740 -1.746 0.00 0.00 -0.275 OA HETATM 46 ND2 ASN A 3 -4.937 -2.930 0.146 0.00 0.00 -0.329 N HETATM 47 H ASN A 3 -5.705 -2.450 -0.240 0.00 0.00 +0.145 HD HETATM 48 H ASN A 3 -4.979 -3.262 1.072 0.00 0.00 +0.145 HD ENDBRANCH 43 44 ENDBRANCH 8 43 BRANCH 4 49 HETATM 49 CB GLN A 2 -0.626 -3.765 -4.756 0.00 0.00 +0.043 C BRANCH 49 50 HETATM 50 CG GLN A 2 -0.142 -2.322 -4.845 0.00 0.00 +0.087 C BRANCH 50 51 HETATM 51 CD GLN A 2 -0.950 -1.534 -5.866 0.00 0.00 +0.219 C HETATM 52 NE2 GLN A 2 -0.555 -0.281 -6.103 0.00 0.00 -0.329 N HETATM 53 OE1 GLN A 2 -1.913 -2.048 -6.429 0.00 0.00 -0.275 OA HETATM 54 H GLN A 2 -1.042 0.274 -6.754 0.00 0.00 +0.145 HD HETATM 55 H GLN A 2 0.223 0.088 -5.626 0.00 0.00 +0.145 HD ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 4 49 BRANCH 12 56 HETATM 56 CB TYR A 4 1.270 -7.139 1.272 0.00 0.00 +0.055 C BRANCH 56 57 HETATM 57 CG TYR A 4 0.111 -7.910 1.857 0.00 0.00 -0.020 A HETATM 58 CD2 TYR A 4 0.025 -8.102 3.241 0.00 0.00 -0.001 A HETATM 59 CD1 TYR A 4 -0.878 -8.432 1.015 0.00 0.00 -0.001 A HETATM 60 CE1 TYR A 4 -1.953 -9.147 1.557 0.00 0.00 +0.036 A HETATM 61 CZ TYR A 4 -2.039 -9.339 2.941 0.00 0.00 +0.134 A HETATM 62 CE2 TYR A 4 -1.050 -8.817 3.783 0.00 0.00 +0.036 A BRANCH 61 63 HETATM 63 OH TYR A 4 -3.083 -10.034 3.467 0.00 0.00 -0.506 OA HETATM 64 H TYR A 4 -3.745 -10.383 2.903 0.00 0.00 +0.292 HD ENDBRANCH 61 63 ENDBRANCH 56 57 ENDBRANCH 12 56 BRANCH 1 65 HETATM 65 CA SER A 1 -0.152 -8.178 -2.775 0.00 0.00 +0.157 C BRANCH 65 66 HETATM 66 N SER A 1 -1.601 -8.178 -2.775 0.00 0.00 -0.313 NA HETATM 67 H SER A 1 -1.941 -9.139 -2.775 0.00 0.00 +0.119 HD HETATM 68 H SER A 1 -1.954 -7.678 -3.591 0.00 0.00 +0.119 HD ENDBRANCH 65 66 BRANCH 65 69 HETATM 69 CB SER A 1 0.399 -8.878 -4.007 0.00 0.00 +0.162 C BRANCH 69 70 HETATM 70 OG SER A 1 1.828 -8.825 -3.983 0.00 0.00 -0.380 OA HETATM 71 H SER A 1 2.182 -9.271 -4.768 0.00 0.00 +0.211 HD ENDBRANCH 69 70 ENDBRANCH 65 69 ENDBRANCH 1 65 TORSDOF 21 TER