USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 GLN : amide:sc= -0.0592 X(o=-0.65,f=-0.53) USER MOD Set 1.2: A 142 GLN : amide:sc= -0.592 K(o=-0.65,f=-2.2!) USER MOD Set 2.1: A 88 MET CE :methyl 169:sc= -0.247 (180deg=-0.825) USER MOD Set 2.2: A 136 HIS :FLIP no HD1:sc= -1.97 F(o=-3.5,f=-2.2) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -47:sc= 1.02 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 162:sc= -0.0353 (180deg=-0.265) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.114 F(o=-0.78,f=-0.11) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.605 F(o=-1.2,f=-0.61) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 104:sc= 1.21 USER MOD Single : A 149 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.806 7.501 15.918 1.00 0.00 N ATOM 2 CA MET A 88 1.695 7.322 14.946 1.00 0.00 C ATOM 3 C MET A 88 0.984 8.643 14.673 1.00 0.00 C ATOM 4 O MET A 88 1.032 9.564 15.489 1.00 0.00 O ATOM 5 CB MET A 88 0.711 6.298 15.517 1.00 0.00 C ATOM 6 CG MET A 88 0.145 6.687 16.873 1.00 0.00 C ATOM 7 SD MET A 88 -1.159 5.575 17.428 1.00 0.00 S ATOM 8 CE MET A 88 -0.443 3.983 17.023 1.00 0.00 C ATOM 0 HA MET A 88 2.100 6.967 13.998 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.111 6.166 14.814 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.213 5.334 15.605 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.949 6.694 17.609 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.247 7.703 16.820 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.037 3.191 17.479 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.434 3.853 15.941 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.578 3.936 17.403 1.00 0.00 H new ATOM 20 N PHE A 89 0.327 8.731 13.522 1.00 0.00 N ATOM 21 CA PHE A 89 -0.393 9.941 13.143 1.00 0.00 C ATOM 22 C PHE A 89 -1.358 9.666 11.994 1.00 0.00 C ATOM 23 O PHE A 89 -0.955 9.196 10.930 1.00 0.00 O ATOM 24 CB PHE A 89 0.591 11.042 12.744 1.00 0.00 C ATOM 25 CG PHE A 89 1.421 10.698 11.540 1.00 0.00 C ATOM 26 CD1 PHE A 89 2.624 10.025 11.682 1.00 0.00 C ATOM 27 CD2 PHE A 89 0.997 11.046 10.268 1.00 0.00 C ATOM 28 CE1 PHE A 89 3.390 9.706 10.576 1.00 0.00 C ATOM 29 CE2 PHE A 89 1.758 10.730 9.158 1.00 0.00 C ATOM 30 CZ PHE A 89 2.957 10.059 9.313 1.00 0.00 C ATOM 0 H PHE A 89 0.278 7.979 12.835 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.970 10.273 14.006 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.036 11.958 12.543 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.253 11.248 13.585 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.967 9.747 12.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.061 11.570 10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.326 9.181 10.700 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.417 11.007 8.171 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.554 9.811 8.448 1.00 0.00 H new ATOM 40 N ALA A 90 -2.634 9.964 12.216 1.00 0.00 N ATOM 41 CA ALA A 90 -3.657 9.752 11.201 1.00 0.00 C ATOM 42 C ALA A 90 -4.099 11.074 10.583 1.00 0.00 C ATOM 43 O ALA A 90 -3.602 12.138 10.952 1.00 0.00 O ATOM 44 CB ALA A 90 -4.851 9.022 11.800 1.00 0.00 C ATOM 0 H ALA A 90 -2.984 10.354 13.091 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.228 9.137 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.608 8.870 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.529 8.056 12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.272 9.617 12.611 1.00 0.00 H new ATOM 50 N MET A 91 -5.033 10.999 9.642 1.00 0.00 N ATOM 51 CA MET A 91 -5.540 12.190 8.973 1.00 0.00 C ATOM 52 C MET A 91 -6.871 11.904 8.283 1.00 0.00 C ATOM 53 O MET A 91 -7.496 10.870 8.524 1.00 0.00 O ATOM 54 CB MET A 91 -4.515 12.698 7.956 1.00 0.00 C ATOM 55 CG MET A 91 -4.285 11.747 6.791 1.00 0.00 C ATOM 56 SD MET A 91 -2.789 10.759 6.986 1.00 0.00 S ATOM 57 CE MET A 91 -1.546 11.905 6.399 1.00 0.00 C ATOM 0 H MET A 91 -5.454 10.126 9.325 1.00 0.00 H new ATOM 0 HA MET A 91 -5.707 12.961 9.726 1.00 0.00 H new ATOM 0 HB2 MET A 91 -4.848 13.660 7.567 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.567 12.871 8.465 1.00 0.00 H new ATOM 0 HG2 MET A 91 -5.144 11.083 6.694 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.219 12.320 5.866 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.563 11.437 6.458 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.759 12.174 5.364 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.558 12.803 7.017 1.00 0.00 H new ATOM 67 N TYR A 92 -7.298 12.821 7.421 1.00 0.00 N ATOM 68 CA TYR A 92 -8.552 12.662 6.693 1.00 0.00 C ATOM 69 C TYR A 92 -8.286 12.171 5.273 1.00 0.00 C ATOM 70 O TYR A 92 -7.183 12.328 4.756 1.00 0.00 O ATOM 71 CB TYR A 92 -9.325 13.984 6.657 1.00 0.00 C ATOM 72 CG TYR A 92 -8.449 15.203 6.457 1.00 0.00 C ATOM 73 CD1 TYR A 92 -7.880 15.857 7.542 1.00 0.00 C ATOM 74 CD2 TYR A 92 -8.193 15.697 5.185 1.00 0.00 C ATOM 75 CE1 TYR A 92 -7.080 16.971 7.364 1.00 0.00 C ATOM 76 CE2 TYR A 92 -7.394 16.809 4.999 1.00 0.00 C ATOM 77 CZ TYR A 92 -6.840 17.442 6.091 1.00 0.00 C ATOM 78 OH TYR A 92 -6.045 18.551 5.910 1.00 0.00 O ATOM 0 H TYR A 92 -6.794 13.682 7.209 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.157 11.919 7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.060 13.942 5.853 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.878 14.095 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.065 15.490 8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.625 15.204 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.646 17.469 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.204 17.180 4.003 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.976 18.751 4.953 1.00 0.00 H new ATOM 88 N PRO A 93 -9.292 11.562 4.623 1.00 0.00 N ATOM 89 CA PRO A 93 -9.152 11.043 3.262 1.00 0.00 C ATOM 90 C PRO A 93 -9.357 12.114 2.191 1.00 0.00 C ATOM 91 O PRO A 93 -9.902 11.837 1.123 1.00 0.00 O ATOM 92 CB PRO A 93 -10.263 10.000 3.191 1.00 0.00 C ATOM 93 CG PRO A 93 -11.335 10.532 4.082 1.00 0.00 C ATOM 94 CD PRO A 93 -10.643 11.324 5.165 1.00 0.00 C ATOM 0 HA PRO A 93 -8.152 10.655 3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.623 9.873 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.914 9.025 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.026 11.163 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.921 9.719 4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.162 12.260 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.605 10.770 6.103 1.00 0.00 H new ATOM 102 N ASP A 94 -8.915 13.335 2.480 1.00 0.00 N ATOM 103 CA ASP A 94 -9.052 14.439 1.536 1.00 0.00 C ATOM 104 C ASP A 94 -7.689 14.913 1.027 1.00 0.00 C ATOM 105 O ASP A 94 -7.613 15.730 0.110 1.00 0.00 O ATOM 106 CB ASP A 94 -9.800 15.605 2.187 1.00 0.00 C ATOM 107 CG ASP A 94 -10.931 16.121 1.321 1.00 0.00 C ATOM 108 OD1 ASP A 94 -11.813 15.316 0.955 1.00 0.00 O ATOM 109 OD2 ASP A 94 -10.935 17.329 1.006 1.00 0.00 O ATOM 0 H ASP A 94 -8.460 13.584 3.358 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.624 14.076 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.200 15.285 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.100 16.416 2.387 1.00 0.00 H new ATOM 114 N TRP A 95 -6.614 14.402 1.626 1.00 0.00 N ATOM 115 CA TRP A 95 -5.265 14.781 1.233 1.00 0.00 C ATOM 116 C TRP A 95 -5.037 14.561 -0.259 1.00 0.00 C ATOM 117 O TRP A 95 -5.732 13.768 -0.895 1.00 0.00 O ATOM 118 CB TRP A 95 -4.244 13.981 2.040 1.00 0.00 C ATOM 119 CG TRP A 95 -4.443 12.499 1.948 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.975 11.685 2.904 1.00 0.00 C ATOM 121 CD2 TRP A 95 -4.110 11.654 0.840 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.996 10.385 2.459 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.470 10.340 1.195 1.00 0.00 C ATOM 124 CE3 TRP A 95 -3.543 11.882 -0.417 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.281 9.259 0.337 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -3.358 10.807 -1.268 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.726 9.511 -0.888 1.00 0.00 C ATOM 0 H TRP A 95 -6.655 13.723 2.386 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.140 15.844 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.242 14.228 1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.301 14.284 3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.328 12.014 3.870 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.346 9.584 2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.255 12.878 -0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.562 8.258 0.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.922 10.971 -2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.569 8.693 -1.576 1.00 0.00 H new ATOM 138 N GLN A 96 -4.055 15.268 -0.810 1.00 0.00 N ATOM 139 CA GLN A 96 -3.728 15.152 -2.226 1.00 0.00 C ATOM 140 C GLN A 96 -2.233 14.896 -2.417 1.00 0.00 C ATOM 141 O GLN A 96 -1.404 15.488 -1.726 1.00 0.00 O ATOM 142 CB GLN A 96 -4.139 16.424 -2.972 1.00 0.00 C ATOM 143 CG GLN A 96 -5.645 16.604 -3.082 1.00 0.00 C ATOM 144 CD GLN A 96 -6.103 17.978 -2.630 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.170 18.261 -1.434 1.00 0.00 O ATOM 146 NE2 GLN A 96 -6.422 18.840 -3.589 1.00 0.00 N ATOM 0 H GLN A 96 -3.471 15.928 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.280 14.306 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.714 17.288 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.710 16.403 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.952 16.445 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.143 15.843 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.352 18.563 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.737 19.779 -3.346 1.00 0.00 H new ATOM 155 N PRO A 97 -1.867 14.010 -3.360 1.00 0.00 N ATOM 156 CA PRO A 97 -0.463 13.683 -3.631 1.00 0.00 C ATOM 157 C PRO A 97 0.385 14.927 -3.874 1.00 0.00 C ATOM 158 O PRO A 97 -0.136 16.038 -3.969 1.00 0.00 O ATOM 159 CB PRO A 97 -0.533 12.828 -4.898 1.00 0.00 C ATOM 160 CG PRO A 97 -1.897 12.231 -4.876 1.00 0.00 C ATOM 161 CD PRO A 97 -2.789 13.256 -4.232 1.00 0.00 C ATOM 0 HA PRO A 97 0.007 13.178 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.379 13.432 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.237 12.057 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.237 11.997 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.905 11.298 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.260 13.902 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.591 12.789 -3.661 1.00 0.00 H new ATOM 169 N ASP A 98 1.696 14.732 -3.973 1.00 0.00 N ATOM 170 CA ASP A 98 2.619 15.836 -4.204 1.00 0.00 C ATOM 171 C ASP A 98 4.013 15.318 -4.543 1.00 0.00 C ATOM 172 O ASP A 98 4.209 14.120 -4.747 1.00 0.00 O ATOM 173 CB ASP A 98 2.683 16.742 -2.973 1.00 0.00 C ATOM 174 CG ASP A 98 2.769 18.210 -3.340 1.00 0.00 C ATOM 175 OD1 ASP A 98 1.879 18.693 -4.072 1.00 0.00 O ATOM 176 OD2 ASP A 98 3.726 18.878 -2.896 1.00 0.00 O ATOM 0 H ASP A 98 2.143 13.818 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 98 2.250 16.414 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.800 16.576 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.549 16.470 -2.369 1.00 0.00 H new ATOM 181 N ALA A 99 4.979 16.229 -4.602 1.00 0.00 N ATOM 182 CA ALA A 99 6.356 15.865 -4.917 1.00 0.00 C ATOM 183 C ALA A 99 6.928 14.916 -3.868 1.00 0.00 C ATOM 184 O ALA A 99 7.781 14.082 -4.172 1.00 0.00 O ATOM 185 CB ALA A 99 7.219 17.113 -5.029 1.00 0.00 C ATOM 0 H ALA A 99 4.834 17.225 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 99 6.358 15.347 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.244 16.827 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.831 17.754 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.202 17.654 -4.083 1.00 0.00 H new ATOM 191 N ASP A 100 6.456 15.051 -2.633 1.00 0.00 N ATOM 192 CA ASP A 100 6.923 14.205 -1.541 1.00 0.00 C ATOM 193 C ASP A 100 6.541 12.748 -1.779 1.00 0.00 C ATOM 194 O ASP A 100 7.274 11.834 -1.402 1.00 0.00 O ATOM 195 CB ASP A 100 6.339 14.686 -0.211 1.00 0.00 C ATOM 196 CG ASP A 100 7.140 14.199 0.981 1.00 0.00 C ATOM 197 OD1 ASP A 100 8.377 14.072 0.854 1.00 0.00 O ATOM 198 OD2 ASP A 100 6.530 13.943 2.041 1.00 0.00 O ATOM 0 H ASP A 100 5.751 15.737 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 100 8.010 14.275 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.308 15.776 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.310 14.337 -0.121 1.00 0.00 H new ATOM 203 N PHE A 101 5.390 12.539 -2.409 1.00 0.00 N ATOM 204 CA PHE A 101 4.910 11.193 -2.698 1.00 0.00 C ATOM 205 C PHE A 101 5.899 10.443 -3.584 1.00 0.00 C ATOM 206 O PHE A 101 6.347 9.348 -3.243 1.00 0.00 O ATOM 207 CB PHE A 101 3.539 11.254 -3.377 1.00 0.00 C ATOM 208 CG PHE A 101 2.512 10.365 -2.734 1.00 0.00 C ATOM 209 CD1 PHE A 101 2.298 10.410 -1.366 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.763 9.484 -3.499 1.00 0.00 C ATOM 211 CE1 PHE A 101 1.354 9.593 -0.772 1.00 0.00 C ATOM 212 CE2 PHE A 101 0.819 8.665 -2.911 1.00 0.00 C ATOM 213 CZ PHE A 101 0.613 8.720 -1.545 1.00 0.00 C ATOM 0 H PHE A 101 4.772 13.285 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 101 4.816 10.655 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.179 12.283 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.648 10.972 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.875 11.090 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.919 9.438 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.196 9.637 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.242 7.982 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.126 8.082 -1.083 1.00 0.00 H new ATOM 223 N ILE A 102 6.235 11.039 -4.723 1.00 0.00 N ATOM 224 CA ILE A 102 7.171 10.428 -5.659 1.00 0.00 C ATOM 225 C ILE A 102 8.558 10.298 -5.037 1.00 0.00 C ATOM 226 O ILE A 102 9.225 9.274 -5.193 1.00 0.00 O ATOM 227 CB ILE A 102 7.279 11.246 -6.961 1.00 0.00 C ATOM 228 CG1 ILE A 102 5.888 11.528 -7.532 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.136 10.509 -7.981 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.746 12.914 -8.122 1.00 0.00 C ATOM 0 H ILE A 102 5.873 11.945 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 102 6.784 9.436 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 102 7.757 12.199 -6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.664 10.790 -8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.147 11.400 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.203 11.099 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.136 10.356 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.684 9.543 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.735 13.043 -8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.938 13.659 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.463 13.039 -8.934 1.00 0.00 H new ATOM 242 N ARG A 103 8.988 11.341 -4.335 1.00 0.00 N ATOM 243 CA ARG A 103 10.295 11.342 -3.690 1.00 0.00 C ATOM 244 C ARG A 103 10.399 10.215 -2.667 1.00 0.00 C ATOM 245 O ARG A 103 11.370 9.459 -2.659 1.00 0.00 O ATOM 246 CB ARG A 103 10.550 12.692 -3.014 1.00 0.00 C ATOM 247 CG ARG A 103 11.707 13.469 -3.623 1.00 0.00 C ATOM 248 CD ARG A 103 12.799 13.742 -2.601 1.00 0.00 C ATOM 249 NE ARG A 103 13.584 14.925 -2.942 1.00 0.00 N ATOM 250 CZ ARG A 103 14.345 15.585 -2.071 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.428 15.181 -0.810 1.00 0.00 N ATOM 252 NH2 ARG A 103 15.027 16.652 -2.464 1.00 0.00 N ATOM 0 H ARG A 103 8.450 12.197 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 103 11.053 11.179 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.645 13.296 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.751 12.527 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.123 12.907 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.340 14.413 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.349 13.876 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.458 12.876 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 103 13.547 15.266 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.907 14.360 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.013 15.691 -0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.968 16.966 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.610 17.158 -1.798 1.00 0.00 H new ATOM 266 N LEU A 104 9.391 10.110 -1.807 1.00 0.00 N ATOM 267 CA LEU A 104 9.368 9.074 -0.780 1.00 0.00 C ATOM 268 C LEU A 104 9.183 7.694 -1.403 1.00 0.00 C ATOM 269 O LEU A 104 9.783 6.716 -0.960 1.00 0.00 O ATOM 270 CB LEU A 104 8.247 9.349 0.225 1.00 0.00 C ATOM 271 CG LEU A 104 8.666 10.154 1.458 1.00 0.00 C ATOM 272 CD1 LEU A 104 9.360 11.442 1.045 1.00 0.00 C ATOM 273 CD2 LEU A 104 7.458 10.452 2.336 1.00 0.00 C ATOM 0 H LEU A 104 8.580 10.729 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 104 10.325 9.091 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.446 9.884 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.834 8.396 0.555 1.00 0.00 H new ATOM 0 HG LEU A 104 9.371 9.557 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.650 12.000 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.248 11.205 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.680 12.045 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.774 11.025 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.729 11.029 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.005 9.516 2.662 1.00 0.00 H new ATOM 285 N ALA A 105 8.347 7.623 -2.434 1.00 0.00 N ATOM 286 CA ALA A 105 8.082 6.363 -3.117 1.00 0.00 C ATOM 287 C ALA A 105 9.357 5.789 -3.725 1.00 0.00 C ATOM 288 O ALA A 105 9.580 4.579 -3.696 1.00 0.00 O ATOM 289 CB ALA A 105 7.024 6.559 -4.193 1.00 0.00 C ATOM 0 H ALA A 105 7.842 8.423 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 105 7.709 5.651 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.836 5.610 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.102 6.917 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.376 7.291 -4.920 1.00 0.00 H new ATOM 295 N ALA A 106 10.191 6.665 -4.277 1.00 0.00 N ATOM 296 CA ALA A 106 11.444 6.244 -4.894 1.00 0.00 C ATOM 297 C ALA A 106 12.510 5.966 -3.840 1.00 0.00 C ATOM 298 O ALA A 106 13.383 5.120 -4.034 1.00 0.00 O ATOM 299 CB ALA A 106 11.929 7.302 -5.873 1.00 0.00 C ATOM 0 H ALA A 106 10.022 7.670 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 106 11.260 5.317 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.865 6.976 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.180 7.448 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.090 8.241 -5.344 1.00 0.00 H new ATOM 305 N LEU A 107 12.434 6.683 -2.724 1.00 0.00 N ATOM 306 CA LEU A 107 13.392 6.514 -1.640 1.00 0.00 C ATOM 307 C LEU A 107 13.019 5.314 -0.772 1.00 0.00 C ATOM 308 O LEU A 107 13.887 4.655 -0.201 1.00 0.00 O ATOM 309 CB LEU A 107 13.452 7.788 -0.790 1.00 0.00 C ATOM 310 CG LEU A 107 14.105 7.630 0.584 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.544 7.158 0.442 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.044 8.938 1.357 1.00 0.00 C ATOM 0 H LEU A 107 11.718 7.387 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 107 14.376 6.330 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.997 8.551 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.437 8.159 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 107 13.552 6.875 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.991 7.052 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.563 6.196 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.111 7.888 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 107 14.513 8.807 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.572 9.714 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.003 9.233 1.492 1.00 0.00 H new ATOM 324 N TRP A 108 11.723 5.038 -0.680 1.00 0.00 N ATOM 325 CA TRP A 108 11.235 3.917 0.118 1.00 0.00 C ATOM 326 C TRP A 108 11.536 2.581 -0.559 1.00 0.00 C ATOM 327 O TRP A 108 11.427 1.525 0.064 1.00 0.00 O ATOM 328 CB TRP A 108 9.729 4.055 0.354 1.00 0.00 C ATOM 329 CG TRP A 108 9.368 5.183 1.275 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.215 5.887 2.082 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.064 5.735 1.482 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.517 6.843 2.779 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.194 6.769 2.428 1.00 0.00 C ATOM 334 CE3 TRP A 108 6.797 5.457 0.961 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.108 7.524 2.862 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.719 6.207 1.392 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.880 7.230 2.334 1.00 0.00 C ATOM 0 H TRP A 108 10.991 5.574 -1.147 1.00 0.00 H new ATOM 0 HA TRP A 108 11.754 3.936 1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.232 4.205 -0.604 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.347 3.122 0.768 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.279 5.717 2.161 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.918 7.500 3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.663 4.670 0.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.230 8.313 3.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.736 6.000 0.995 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.018 7.799 2.650 1.00 0.00 H new ATOM 348 N GLY A 109 11.915 2.630 -1.833 1.00 0.00 N ATOM 349 CA GLY A 109 12.223 1.413 -2.561 1.00 0.00 C ATOM 350 C GLY A 109 11.096 0.982 -3.479 1.00 0.00 C ATOM 351 O GLY A 109 10.750 -0.198 -3.537 1.00 0.00 O ATOM 0 H GLY A 109 12.014 3.490 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.128 1.565 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.435 0.613 -1.851 1.00 0.00 H new ATOM 355 N VAL A 110 10.523 1.940 -4.200 1.00 0.00 N ATOM 356 CA VAL A 110 9.429 1.655 -5.120 1.00 0.00 C ATOM 357 C VAL A 110 9.552 2.487 -6.392 1.00 0.00 C ATOM 358 O VAL A 110 9.507 3.717 -6.347 1.00 0.00 O ATOM 359 CB VAL A 110 8.061 1.929 -4.472 1.00 0.00 C ATOM 360 CG1 VAL A 110 6.936 1.434 -5.367 1.00 0.00 C ATOM 361 CG2 VAL A 110 7.981 1.283 -3.097 1.00 0.00 C ATOM 0 H VAL A 110 10.799 2.921 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 110 9.496 0.596 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 110 7.949 3.006 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.977 1.637 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.981 1.949 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.043 0.361 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.006 1.488 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.117 0.206 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.763 1.692 -2.457 1.00 0.00 H new ATOM 371 N ALA A 111 9.707 1.810 -7.524 1.00 0.00 N ATOM 372 CA ALA A 111 9.837 2.488 -8.807 1.00 0.00 C ATOM 373 C ALA A 111 8.522 2.460 -9.579 1.00 0.00 C ATOM 374 O ALA A 111 7.959 1.392 -9.827 1.00 0.00 O ATOM 375 CB ALA A 111 10.947 1.853 -9.630 1.00 0.00 C ATOM 0 H ALA A 111 9.746 0.792 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 111 10.093 3.530 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.032 2.370 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.891 1.931 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.715 0.803 -9.805 1.00 0.00 H new ATOM 381 N LEU A 112 8.037 3.638 -9.956 1.00 0.00 N ATOM 382 CA LEU A 112 6.787 3.749 -10.701 1.00 0.00 C ATOM 383 C LEU A 112 7.024 4.378 -12.070 1.00 0.00 C ATOM 384 O LEU A 112 7.329 5.566 -12.173 1.00 0.00 O ATOM 385 CB LEU A 112 5.772 4.579 -9.914 1.00 0.00 C ATOM 386 CG LEU A 112 5.355 3.985 -8.566 1.00 0.00 C ATOM 387 CD1 LEU A 112 6.143 4.623 -7.433 1.00 0.00 C ATOM 388 CD2 LEU A 112 3.860 4.163 -8.343 1.00 0.00 C ATOM 0 H LEU A 112 8.490 4.530 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 112 6.389 2.745 -10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.191 5.571 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.880 4.711 -10.527 1.00 0.00 H new ATOM 0 HG LEU A 112 5.576 2.918 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.832 4.188 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.207 4.443 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.955 5.697 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.582 3.735 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.615 5.225 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.311 3.657 -9.137 1.00 0.00 H new ATOM 400 N ARG A 113 6.879 3.575 -13.118 1.00 0.00 N ATOM 401 CA ARG A 113 7.077 4.055 -14.481 1.00 0.00 C ATOM 402 C ARG A 113 5.747 4.450 -15.116 1.00 0.00 C ATOM 403 O ARG A 113 5.675 5.408 -15.885 1.00 0.00 O ATOM 404 CB ARG A 113 7.760 2.981 -15.329 1.00 0.00 C ATOM 405 CG ARG A 113 8.471 3.533 -16.553 1.00 0.00 C ATOM 406 CD ARG A 113 8.431 2.550 -17.711 1.00 0.00 C ATOM 407 NE ARG A 113 9.660 1.764 -17.804 1.00 0.00 N ATOM 408 CZ ARG A 113 9.759 0.620 -18.478 1.00 0.00 C ATOM 409 NH1 ARG A 113 8.707 0.126 -19.118 1.00 0.00 N ATOM 410 NH2 ARG A 113 10.914 -0.031 -18.511 1.00 0.00 N ATOM 0 H ARG A 113 6.625 2.589 -13.050 1.00 0.00 H new ATOM 0 HA ARG A 113 7.717 4.936 -14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 113 8.481 2.446 -14.711 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.014 2.254 -15.650 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.004 4.471 -16.854 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.507 3.759 -16.302 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.580 1.880 -17.588 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.277 3.094 -18.643 1.00 0.00 H new ATOM 0 HE ARG A 113 10.490 2.112 -17.325 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.817 0.623 -19.095 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.789 -0.751 -19.633 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.725 0.345 -18.020 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.991 -0.907 -19.027 1.00 0.00 H new ATOM 424 N GLU A 114 4.695 3.707 -14.786 1.00 0.00 N ATOM 425 CA GLU A 114 3.368 3.980 -15.323 1.00 0.00 C ATOM 426 C GLU A 114 2.620 4.978 -14.441 1.00 0.00 C ATOM 427 O GLU A 114 2.888 5.085 -13.245 1.00 0.00 O ATOM 428 CB GLU A 114 2.567 2.680 -15.443 1.00 0.00 C ATOM 429 CG GLU A 114 2.340 2.237 -16.879 1.00 0.00 C ATOM 430 CD GLU A 114 3.446 1.337 -17.394 1.00 0.00 C ATOM 431 OE1 GLU A 114 4.075 0.640 -16.570 1.00 0.00 O ATOM 432 OE2 GLU A 114 3.684 1.329 -18.620 1.00 0.00 O ATOM 0 H GLU A 114 4.737 2.911 -14.149 1.00 0.00 H new ATOM 0 HA GLU A 114 3.485 4.417 -16.315 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.091 1.889 -14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.601 2.811 -14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.388 1.711 -16.947 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.265 3.116 -17.519 1.00 0.00 H new ATOM 439 N PRO A 115 1.665 5.724 -15.024 1.00 0.00 N ATOM 440 CA PRO A 115 0.878 6.715 -14.286 1.00 0.00 C ATOM 441 C PRO A 115 -0.078 6.068 -13.288 1.00 0.00 C ATOM 442 O PRO A 115 -0.759 5.095 -13.609 1.00 0.00 O ATOM 443 CB PRO A 115 0.096 7.440 -15.383 1.00 0.00 C ATOM 444 CG PRO A 115 0.008 6.458 -16.499 1.00 0.00 C ATOM 445 CD PRO A 115 1.280 5.658 -16.446 1.00 0.00 C ATOM 0 HA PRO A 115 1.509 7.374 -13.690 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -0.894 7.733 -15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.606 8.351 -15.697 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -0.864 5.814 -16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -0.095 6.965 -17.458 1.00 0.00 H new ATOM 0 HD2 PRO A 115 1.122 4.630 -16.772 1.00 0.00 H new ATOM 0 HD3 PRO A 115 2.049 6.083 -17.091 1.00 0.00 H new ATOM 453 N VAL A 116 -0.123 6.616 -12.079 1.00 0.00 N ATOM 454 CA VAL A 116 -0.995 6.092 -11.034 1.00 0.00 C ATOM 455 C VAL A 116 -2.457 6.136 -11.467 1.00 0.00 C ATOM 456 O VAL A 116 -2.881 7.056 -12.168 1.00 0.00 O ATOM 457 CB VAL A 116 -0.832 6.880 -9.719 1.00 0.00 C ATOM 458 CG1 VAL A 116 -1.212 8.340 -9.916 1.00 0.00 C ATOM 459 CG2 VAL A 116 -1.660 6.250 -8.610 1.00 0.00 C ATOM 0 H VAL A 116 0.434 7.423 -11.798 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.701 5.056 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 116 0.217 6.840 -9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.090 8.878 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.568 8.784 -10.675 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.251 8.405 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.531 6.821 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -2.712 6.253 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.331 5.223 -8.449 1.00 0.00 H new ATOM 469 N THR A 117 -3.224 5.136 -11.045 1.00 0.00 N ATOM 470 CA THR A 117 -4.638 5.059 -11.389 1.00 0.00 C ATOM 471 C THR A 117 -5.508 5.480 -10.209 1.00 0.00 C ATOM 472 O THR A 117 -5.121 5.320 -9.051 1.00 0.00 O ATOM 473 CB THR A 117 -5.004 3.639 -11.826 1.00 0.00 C ATOM 474 OG1 THR A 117 -4.617 2.698 -10.841 1.00 0.00 O ATOM 475 CG2 THR A 117 -4.357 3.230 -13.132 1.00 0.00 C ATOM 0 H THR A 117 -2.889 4.368 -10.464 1.00 0.00 H new ATOM 0 HA THR A 117 -4.822 5.744 -12.217 1.00 0.00 H new ATOM 0 HB THR A 117 -6.085 3.647 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.860 1.796 -11.137 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.658 2.213 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.674 3.909 -13.923 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.273 3.273 -13.030 1.00 0.00 H new ATOM 483 N THR A 118 -6.686 6.018 -10.510 1.00 0.00 N ATOM 484 CA THR A 118 -7.612 6.460 -9.474 1.00 0.00 C ATOM 485 C THR A 118 -8.104 5.279 -8.644 1.00 0.00 C ATOM 486 O THR A 118 -8.388 5.420 -7.454 1.00 0.00 O ATOM 487 CB THR A 118 -8.800 7.190 -10.101 1.00 0.00 C ATOM 488 OG1 THR A 118 -9.725 7.590 -9.104 1.00 0.00 O ATOM 489 CG2 THR A 118 -9.550 6.352 -11.113 1.00 0.00 C ATOM 0 H THR A 118 -7.021 6.158 -11.463 1.00 0.00 H new ATOM 0 HA THR A 118 -7.081 7.146 -8.815 1.00 0.00 H new ATOM 0 HB THR A 118 -8.373 8.052 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.477 8.057 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.380 6.929 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.876 6.068 -11.921 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.935 5.455 -10.629 1.00 0.00 H new ATOM 497 N GLU A 119 -8.204 4.117 -9.279 1.00 0.00 N ATOM 498 CA GLU A 119 -8.663 2.912 -8.598 1.00 0.00 C ATOM 499 C GLU A 119 -7.673 2.485 -7.519 1.00 0.00 C ATOM 500 O GLU A 119 -8.066 2.004 -6.457 1.00 0.00 O ATOM 501 CB GLU A 119 -8.859 1.775 -9.604 1.00 0.00 C ATOM 502 CG GLU A 119 -7.593 1.411 -10.363 1.00 0.00 C ATOM 503 CD GLU A 119 -6.904 0.187 -9.792 1.00 0.00 C ATOM 504 OE1 GLU A 119 -6.625 0.176 -8.575 1.00 0.00 O ATOM 505 OE2 GLU A 119 -6.642 -0.761 -10.562 1.00 0.00 O ATOM 0 H GLU A 119 -7.974 3.984 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.618 3.136 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.223 0.893 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.631 2.061 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.840 1.230 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.904 2.255 -10.340 1.00 0.00 H new ATOM 512 N GLU A 120 -6.386 2.667 -7.799 1.00 0.00 N ATOM 513 CA GLU A 120 -5.340 2.301 -6.851 1.00 0.00 C ATOM 514 C GLU A 120 -5.331 3.250 -5.658 1.00 0.00 C ATOM 515 O GLU A 120 -5.341 2.815 -4.506 1.00 0.00 O ATOM 516 CB GLU A 120 -3.973 2.316 -7.539 1.00 0.00 C ATOM 517 CG GLU A 120 -2.867 1.688 -6.707 1.00 0.00 C ATOM 518 CD GLU A 120 -1.617 1.406 -7.518 1.00 0.00 C ATOM 519 OE1 GLU A 120 -0.749 2.301 -7.600 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.505 0.291 -8.069 1.00 0.00 O ATOM 0 H GLU A 120 -6.043 3.065 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.547 1.294 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.048 1.786 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.703 3.347 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.617 2.353 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.230 0.758 -6.270 1.00 0.00 H new ATOM 527 N LEU A 121 -5.312 4.549 -5.941 1.00 0.00 N ATOM 528 CA LEU A 121 -5.301 5.559 -4.890 1.00 0.00 C ATOM 529 C LEU A 121 -6.578 5.492 -4.057 1.00 0.00 C ATOM 530 O LEU A 121 -6.530 5.504 -2.827 1.00 0.00 O ATOM 531 CB LEU A 121 -5.149 6.955 -5.497 1.00 0.00 C ATOM 532 CG LEU A 121 -3.774 7.254 -6.096 1.00 0.00 C ATOM 533 CD1 LEU A 121 -3.877 8.341 -7.154 1.00 0.00 C ATOM 534 CD2 LEU A 121 -2.794 7.659 -5.006 1.00 0.00 C ATOM 0 H LEU A 121 -5.304 4.926 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.451 5.359 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.902 7.080 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.361 7.695 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.402 6.347 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.889 8.540 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.545 8.012 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.271 9.252 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.821 7.868 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.161 8.552 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.696 6.848 -4.285 1.00 0.00 H new ATOM 546 N ALA A 122 -7.718 5.419 -4.736 1.00 0.00 N ATOM 547 CA ALA A 122 -9.008 5.348 -4.059 1.00 0.00 C ATOM 548 C ALA A 122 -9.090 4.120 -3.161 1.00 0.00 C ATOM 549 O ALA A 122 -9.627 4.181 -2.055 1.00 0.00 O ATOM 550 CB ALA A 122 -10.137 5.336 -5.078 1.00 0.00 C ATOM 0 H ALA A 122 -7.775 5.407 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.110 6.232 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.094 5.283 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.098 6.247 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.029 4.470 -5.730 1.00 0.00 H new ATOM 556 N SER A 123 -8.552 3.003 -3.642 1.00 0.00 N ATOM 557 CA SER A 123 -8.563 1.759 -2.882 1.00 0.00 C ATOM 558 C SER A 123 -7.783 1.909 -1.581 1.00 0.00 C ATOM 559 O SER A 123 -8.224 1.461 -0.524 1.00 0.00 O ATOM 560 CB SER A 123 -7.971 0.622 -3.718 1.00 0.00 C ATOM 561 OG SER A 123 -6.566 0.754 -3.835 1.00 0.00 O ATOM 0 H SER A 123 -8.103 2.935 -4.555 1.00 0.00 H new ATOM 0 HA SER A 123 -9.598 1.520 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.212 -0.336 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.423 0.622 -4.710 1.00 0.00 H new ATOM 0 HG SER A 123 -6.343 1.679 -4.068 1.00 0.00 H new ATOM 567 N PHE A 124 -6.618 2.546 -1.667 1.00 0.00 N ATOM 568 CA PHE A 124 -5.774 2.757 -0.497 1.00 0.00 C ATOM 569 C PHE A 124 -6.500 3.587 0.556 1.00 0.00 C ATOM 570 O PHE A 124 -6.525 3.230 1.733 1.00 0.00 O ATOM 571 CB PHE A 124 -4.471 3.448 -0.901 1.00 0.00 C ATOM 572 CG PHE A 124 -3.426 3.435 0.179 1.00 0.00 C ATOM 573 CD1 PHE A 124 -2.723 2.276 0.467 1.00 0.00 C ATOM 574 CD2 PHE A 124 -3.146 4.582 0.904 1.00 0.00 C ATOM 575 CE1 PHE A 124 -1.762 2.261 1.459 1.00 0.00 C ATOM 576 CE2 PHE A 124 -2.186 4.573 1.898 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.493 3.411 2.175 1.00 0.00 C ATOM 0 H PHE A 124 -6.238 2.924 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.542 1.783 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.070 2.960 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.686 4.481 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -2.929 1.374 -0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -3.684 5.494 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -1.222 1.351 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -1.978 5.473 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.742 3.402 2.951 1.00 0.00 H new ATOM 587 N ILE A 125 -7.091 4.696 0.123 1.00 0.00 N ATOM 588 CA ILE A 125 -7.819 5.575 1.030 1.00 0.00 C ATOM 589 C ILE A 125 -9.009 4.851 1.652 1.00 0.00 C ATOM 590 O ILE A 125 -9.378 5.111 2.797 1.00 0.00 O ATOM 591 CB ILE A 125 -8.317 6.844 0.308 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.154 7.547 -0.395 1.00 0.00 C ATOM 593 CG2 ILE A 125 -8.996 7.789 1.290 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.585 8.710 -1.262 1.00 0.00 C ATOM 0 H ILE A 125 -7.080 5.007 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.124 5.869 1.816 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.049 6.548 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.450 7.906 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.622 6.823 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.340 8.678 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -9.848 7.287 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.287 8.080 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.709 9.160 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.266 8.355 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.091 9.454 -0.647 1.00 0.00 H new ATOM 606 N ALA A 126 -9.605 3.939 0.889 1.00 0.00 N ATOM 607 CA ALA A 126 -10.751 3.176 1.367 1.00 0.00 C ATOM 608 C ALA A 126 -10.376 2.331 2.579 1.00 0.00 C ATOM 609 O ALA A 126 -11.045 2.377 3.612 1.00 0.00 O ATOM 610 CB ALA A 126 -11.299 2.294 0.255 1.00 0.00 C ATOM 0 H ALA A 126 -9.313 3.711 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.526 3.880 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.155 1.730 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.611 2.917 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.524 1.602 -0.076 1.00 0.00 H new ATOM 616 N TYR A 127 -9.300 1.562 2.447 1.00 0.00 N ATOM 617 CA TYR A 127 -8.832 0.708 3.532 1.00 0.00 C ATOM 618 C TYR A 127 -8.321 1.549 4.698 1.00 0.00 C ATOM 619 O TYR A 127 -8.431 1.153 5.858 1.00 0.00 O ATOM 620 CB TYR A 127 -7.727 -0.224 3.036 1.00 0.00 C ATOM 621 CG TYR A 127 -7.592 -1.492 3.849 1.00 0.00 C ATOM 622 CD1 TYR A 127 -8.554 -2.491 3.779 1.00 0.00 C ATOM 623 CD2 TYR A 127 -6.499 -1.690 4.685 1.00 0.00 C ATOM 624 CE1 TYR A 127 -8.435 -3.651 4.521 1.00 0.00 C ATOM 625 CE2 TYR A 127 -6.372 -2.849 5.430 1.00 0.00 C ATOM 626 CZ TYR A 127 -7.342 -3.825 5.343 1.00 0.00 C ATOM 627 OH TYR A 127 -7.219 -4.979 6.083 1.00 0.00 O ATOM 0 H TYR A 127 -8.736 1.513 1.599 1.00 0.00 H new ATOM 0 HA TYR A 127 -9.672 0.107 3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.925 -0.488 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.778 0.311 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.410 -2.359 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.737 -0.927 4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.194 -4.417 4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -5.518 -2.988 6.076 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.392 -4.944 6.608 1.00 0.00 H new ATOM 637 N TRP A 128 -7.764 2.713 4.379 1.00 0.00 N ATOM 638 CA TRP A 128 -7.235 3.615 5.396 1.00 0.00 C ATOM 639 C TRP A 128 -8.365 4.187 6.248 1.00 0.00 C ATOM 640 O TRP A 128 -8.235 4.311 7.466 1.00 0.00 O ATOM 641 CB TRP A 128 -6.440 4.746 4.733 1.00 0.00 C ATOM 642 CG TRP A 128 -6.065 5.857 5.670 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.138 7.197 5.418 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.562 5.725 7.004 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.709 7.907 6.512 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.351 7.026 7.499 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.268 4.636 7.829 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -4.861 7.266 8.781 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -4.783 4.875 9.101 1.00 0.00 C ATOM 650 CH2 TRP A 128 -4.583 6.181 9.566 1.00 0.00 C ATOM 0 H TRP A 128 -7.667 3.054 3.423 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.568 3.051 6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.532 4.331 4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.028 5.158 3.913 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.483 7.635 4.493 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.664 8.924 6.579 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.417 3.625 7.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.706 8.272 9.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -4.554 4.041 9.747 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.202 6.334 10.565 1.00 0.00 H new ATOM 661 N GLN A 129 -9.472 4.535 5.600 1.00 0.00 N ATOM 662 CA GLN A 129 -10.623 5.093 6.298 1.00 0.00 C ATOM 663 C GLN A 129 -11.403 4.000 7.021 1.00 0.00 C ATOM 664 O GLN A 129 -11.943 4.221 8.105 1.00 0.00 O ATOM 665 CB GLN A 129 -11.538 5.824 5.315 1.00 0.00 C ATOM 666 CG GLN A 129 -12.384 6.908 5.962 1.00 0.00 C ATOM 667 CD GLN A 129 -13.706 7.120 5.251 1.00 0.00 C ATOM 668 OE1 GLN A 129 -14.761 6.727 5.747 1.00 0.00 O ATOM 669 NE2 GLN A 129 -13.654 7.745 4.079 1.00 0.00 N ATOM 0 H GLN A 129 -9.596 4.440 4.592 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.257 5.804 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -10.930 6.271 4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.196 5.099 4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -12.574 6.643 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.825 7.844 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.757 8.054 3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -14.511 7.916 3.554 1.00 0.00 H new ATOM 678 N ALA A 130 -11.457 2.819 6.414 1.00 0.00 N ATOM 679 CA ALA A 130 -12.170 1.690 6.999 1.00 0.00 C ATOM 680 C ALA A 130 -11.370 1.062 8.135 1.00 0.00 C ATOM 681 O ALA A 130 -11.937 0.485 9.062 1.00 0.00 O ATOM 682 CB ALA A 130 -12.480 0.652 5.931 1.00 0.00 C ATOM 0 H ALA A 130 -11.015 2.619 5.517 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.108 2.060 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.012 -0.186 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.100 1.102 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -11.550 0.295 5.489 1.00 0.00 H new ATOM 688 N GLU A 131 -10.047 1.178 8.058 1.00 0.00 N ATOM 689 CA GLU A 131 -9.169 0.621 9.080 1.00 0.00 C ATOM 690 C GLU A 131 -9.481 1.220 10.449 1.00 0.00 C ATOM 691 O GLU A 131 -9.521 0.509 11.453 1.00 0.00 O ATOM 692 CB GLU A 131 -7.705 0.877 8.720 1.00 0.00 C ATOM 693 CG GLU A 131 -7.057 -0.267 7.955 1.00 0.00 C ATOM 694 CD GLU A 131 -5.920 -0.913 8.722 1.00 0.00 C ATOM 695 OE1 GLU A 131 -5.980 -0.930 9.970 1.00 0.00 O ATOM 696 OE2 GLU A 131 -4.969 -1.401 8.075 1.00 0.00 O ATOM 0 H GLU A 131 -9.560 1.653 7.298 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.341 -0.454 9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.640 1.786 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.141 1.057 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -7.811 -1.020 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -6.682 0.105 7.002 1.00 0.00 H new ATOM 703 N GLY A 132 -9.700 2.529 10.480 1.00 0.00 N ATOM 704 CA GLY A 132 -10.005 3.201 11.729 1.00 0.00 C ATOM 705 C GLY A 132 -8.887 3.070 12.745 1.00 0.00 C ATOM 706 O GLY A 132 -9.134 2.785 13.917 1.00 0.00 O ATOM 0 H GLY A 132 -9.672 3.138 9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.193 4.257 11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -10.922 2.786 12.147 1.00 0.00 H new ATOM 710 N LYS A 133 -7.654 3.278 12.294 1.00 0.00 N ATOM 711 CA LYS A 133 -6.494 3.182 13.166 1.00 0.00 C ATOM 712 C LYS A 133 -5.461 4.243 12.802 1.00 0.00 C ATOM 713 O LYS A 133 -5.702 5.088 11.939 1.00 0.00 O ATOM 714 CB LYS A 133 -5.873 1.788 13.067 1.00 0.00 C ATOM 715 CG LYS A 133 -6.684 0.708 13.765 1.00 0.00 C ATOM 716 CD LYS A 133 -6.055 0.303 15.088 1.00 0.00 C ATOM 717 CE LYS A 133 -6.617 -1.015 15.592 1.00 0.00 C ATOM 718 NZ LYS A 133 -6.184 -2.163 14.747 1.00 0.00 N ATOM 0 H LYS A 133 -7.435 3.515 11.326 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.819 3.352 14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -5.761 1.524 12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -4.872 1.814 13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -7.698 1.069 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -6.763 -0.165 13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -4.975 0.217 14.967 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.232 1.082 15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -6.293 -1.178 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -7.706 -0.964 15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -6.320 -3.051 15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -6.751 -2.186 13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -5.179 -2.055 14.503 1.00 0.00 H new ATOM 732 N VAL A 134 -4.313 4.192 13.462 1.00 0.00 N ATOM 733 CA VAL A 134 -3.241 5.144 13.209 1.00 0.00 C ATOM 734 C VAL A 134 -1.912 4.429 12.998 1.00 0.00 C ATOM 735 O VAL A 134 -1.621 3.432 13.659 1.00 0.00 O ATOM 736 CB VAL A 134 -3.094 6.151 14.366 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.177 7.296 13.966 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.457 6.675 14.797 1.00 0.00 C ATOM 0 H VAL A 134 -4.100 3.499 14.179 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.508 5.686 12.302 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.644 5.636 15.215 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.086 7.996 14.796 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.192 6.902 13.714 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.594 7.811 13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.332 7.385 15.615 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.938 7.173 13.955 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.078 5.843 15.130 1.00 0.00 H new ATOM 748 N PHE A 135 -1.107 4.943 12.073 1.00 0.00 N ATOM 749 CA PHE A 135 0.192 4.349 11.775 1.00 0.00 C ATOM 750 C PHE A 135 1.302 5.391 11.869 1.00 0.00 C ATOM 751 O PHE A 135 1.042 6.593 11.870 1.00 0.00 O ATOM 752 CB PHE A 135 0.187 3.722 10.377 1.00 0.00 C ATOM 753 CG PHE A 135 -1.109 3.051 10.017 1.00 0.00 C ATOM 754 CD1 PHE A 135 -1.746 2.213 10.918 1.00 0.00 C ATOM 755 CD2 PHE A 135 -1.691 3.261 8.777 1.00 0.00 C ATOM 756 CE1 PHE A 135 -2.938 1.595 10.588 1.00 0.00 C ATOM 757 CE2 PHE A 135 -2.883 2.648 8.442 1.00 0.00 C ATOM 758 CZ PHE A 135 -3.507 1.813 9.349 1.00 0.00 C ATOM 0 H PHE A 135 -1.331 5.769 11.517 1.00 0.00 H new ATOM 0 HA PHE A 135 0.382 3.571 12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.401 4.497 9.641 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.993 2.991 10.314 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.306 2.041 11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.207 3.912 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.423 0.942 11.299 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.326 2.821 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.438 1.332 9.089 1.00 0.00 H new ATOM 768 N HIS A 136 2.543 4.919 11.945 1.00 0.00 N ATOM 769 CA HIS A 136 3.696 5.807 12.036 1.00 0.00 C ATOM 770 C HIS A 136 4.251 6.116 10.649 1.00 0.00 C ATOM 771 O HIS A 136 3.804 5.550 9.651 1.00 0.00 O ATOM 772 CB HIS A 136 4.787 5.178 12.904 1.00 0.00 C ATOM 773 CG HIS A 136 4.301 4.731 14.248 1.00 0.00 C ATOM 774 ND1 HIS A 136 3.172 4.079 14.611 1.00 0.00 N flip ATOM 775 CD2 HIS A 136 5.011 4.941 15.411 1.00 0.00 C flip ATOM 776 CE1 HIS A 136 3.220 3.909 15.974 1.00 0.00 C flip ATOM 777 NE2 HIS A 136 4.340 4.437 16.432 1.00 0.00 N flip ATOM 0 H HIS A 136 2.775 3.926 11.945 1.00 0.00 H new ATOM 0 HA HIS A 136 3.369 6.739 12.497 1.00 0.00 H new ATOM 0 HB2 HIS A 136 5.211 4.323 12.377 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.593 5.900 13.040 1.00 0.00 H new ATOM 0 HD2 HIS A 136 5.967 5.440 15.477 1.00 0.00 H new ATOM 0 HE1 HIS A 136 2.464 3.423 16.573 1.00 0.00 H new ATOM 0 HE2 HIS A 136 4.637 4.453 17.408 1.00 0.00 H new ATOM 786 N HIS A 137 5.229 7.014 10.594 1.00 0.00 N ATOM 787 CA HIS A 137 5.844 7.392 9.328 1.00 0.00 C ATOM 788 C HIS A 137 6.575 6.206 8.707 1.00 0.00 C ATOM 789 O HIS A 137 6.398 5.904 7.526 1.00 0.00 O ATOM 790 CB HIS A 137 6.817 8.554 9.536 1.00 0.00 C ATOM 791 CG HIS A 137 7.383 9.096 8.261 1.00 0.00 C ATOM 792 ND1 HIS A 137 8.148 8.507 7.311 1.00 0.00 N flip ATOM 793 CD2 HIS A 137 7.184 10.393 7.839 1.00 0.00 C flip ATOM 794 CE1 HIS A 137 8.392 9.451 6.343 1.00 0.00 C flip ATOM 795 NE2 HIS A 137 7.799 10.579 6.685 1.00 0.00 N flip ATOM 0 H HIS A 137 5.612 7.492 11.410 1.00 0.00 H new ATOM 0 HA HIS A 137 5.054 7.708 8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.304 9.356 10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 137 7.635 8.222 10.175 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.614 11.141 8.370 1.00 0.00 H new ATOM 0 HE1 HIS A 137 8.975 9.295 5.447 1.00 0.00 H new ATOM 0 HE2 HIS A 137 7.813 11.447 6.149 1.00 0.00 H new ATOM 804 N VAL A 138 7.394 5.535 9.510 1.00 0.00 N ATOM 805 CA VAL A 138 8.150 4.380 9.042 1.00 0.00 C ATOM 806 C VAL A 138 7.219 3.230 8.672 1.00 0.00 C ATOM 807 O VAL A 138 7.484 2.482 7.729 1.00 0.00 O ATOM 808 CB VAL A 138 9.152 3.894 10.104 1.00 0.00 C ATOM 809 CG1 VAL A 138 10.067 2.824 9.526 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.961 5.060 10.649 1.00 0.00 C ATOM 0 H VAL A 138 7.551 5.772 10.490 1.00 0.00 H new ATOM 0 HA VAL A 138 8.700 4.699 8.157 1.00 0.00 H new ATOM 0 HB VAL A 138 8.593 3.453 10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 138 10.769 2.493 10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 138 9.469 1.977 9.190 1.00 0.00 H new ATOM 0 HG13 VAL A 138 10.620 3.235 8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.664 4.696 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.511 5.533 9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 138 9.289 5.788 11.104 1.00 0.00 H new ATOM 820 N GLN A 139 6.130 3.094 9.420 1.00 0.00 N ATOM 821 CA GLN A 139 5.158 2.034 9.172 1.00 0.00 C ATOM 822 C GLN A 139 4.340 2.328 7.920 1.00 0.00 C ATOM 823 O GLN A 139 3.964 1.417 7.183 1.00 0.00 O ATOM 824 CB GLN A 139 4.227 1.875 10.377 1.00 0.00 C ATOM 825 CG GLN A 139 3.216 0.751 10.221 1.00 0.00 C ATOM 826 CD GLN A 139 3.011 -0.030 11.504 1.00 0.00 C ATOM 827 OE1 GLN A 139 2.212 0.355 12.357 1.00 0.00 O ATOM 828 NE2 GLN A 139 3.735 -1.134 11.647 1.00 0.00 N ATOM 0 H GLN A 139 5.897 3.704 10.203 1.00 0.00 H new ATOM 0 HA GLN A 139 5.704 1.104 9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 139 4.828 1.691 11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 139 3.694 2.812 10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 139 2.262 1.167 9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 139 3.551 0.072 9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 139 4.386 -1.416 10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 139 3.640 -1.700 12.490 1.00 0.00 H new ATOM 837 N TRP A 140 4.069 3.607 7.685 1.00 0.00 N ATOM 838 CA TRP A 140 3.294 4.025 6.522 1.00 0.00 C ATOM 839 C TRP A 140 4.078 3.802 5.233 1.00 0.00 C ATOM 840 O TRP A 140 3.507 3.451 4.201 1.00 0.00 O ATOM 841 CB TRP A 140 2.907 5.499 6.647 1.00 0.00 C ATOM 842 CG TRP A 140 1.664 5.854 5.889 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.374 5.665 6.294 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.593 6.460 4.593 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.494 6.116 5.330 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.230 6.609 4.276 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.550 6.894 3.670 1.00 0.00 C ATOM 848 CZ2 TRP A 140 -0.198 7.172 3.077 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.124 7.451 2.481 1.00 0.00 C ATOM 850 CH2 TRP A 140 0.759 7.587 2.192 1.00 0.00 C ATOM 0 H TRP A 140 4.375 4.373 8.285 1.00 0.00 H new ATOM 0 HA TRP A 140 2.389 3.418 6.483 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.763 5.741 7.700 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.731 6.115 6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 140 0.079 5.225 7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.512 6.089 5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.604 6.795 3.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.249 7.278 2.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.855 7.788 1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.457 8.028 1.253 1.00 0.00 H new ATOM 861 N GLN A 141 5.388 4.014 5.299 1.00 0.00 N ATOM 862 CA GLN A 141 6.250 3.842 4.135 1.00 0.00 C ATOM 863 C GLN A 141 6.457 2.364 3.814 1.00 0.00 C ATOM 864 O GLN A 141 6.434 1.964 2.650 1.00 0.00 O ATOM 865 CB GLN A 141 7.601 4.519 4.372 1.00 0.00 C ATOM 866 CG GLN A 141 8.309 4.044 5.630 1.00 0.00 C ATOM 867 CD GLN A 141 9.718 4.593 5.749 1.00 0.00 C ATOM 868 OE1 GLN A 141 9.872 5.888 5.498 1.00 0.00 O flip ATOM 869 NE2 GLN A 141 10.656 3.862 6.062 1.00 0.00 N flip ATOM 0 H GLN A 141 5.876 4.305 6.146 1.00 0.00 H new ATOM 0 HA GLN A 141 5.759 4.310 3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.245 4.336 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.451 5.597 4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.731 4.345 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.346 2.955 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.492 2.872 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.598 4.245 6.138 1.00 0.00 H new ATOM 878 N GLN A 142 6.665 1.558 4.849 1.00 0.00 N ATOM 879 CA GLN A 142 6.882 0.127 4.671 1.00 0.00 C ATOM 880 C GLN A 142 5.576 -0.594 4.346 1.00 0.00 C ATOM 881 O GLN A 142 5.578 -1.628 3.678 1.00 0.00 O ATOM 882 CB GLN A 142 7.512 -0.476 5.928 1.00 0.00 C ATOM 883 CG GLN A 142 6.620 -0.393 7.156 1.00 0.00 C ATOM 884 CD GLN A 142 6.439 -1.734 7.840 1.00 0.00 C ATOM 885 OE1 GLN A 142 6.654 -2.785 7.238 1.00 0.00 O ATOM 886 NE2 GLN A 142 6.040 -1.701 9.107 1.00 0.00 N ATOM 0 H GLN A 142 6.688 1.871 5.820 1.00 0.00 H new ATOM 0 HA GLN A 142 7.563 -0.005 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 142 7.756 -1.521 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 142 8.451 0.037 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 142 7.049 0.316 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 142 5.644 -0.003 6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 142 5.874 -0.805 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 142 5.900 -2.571 9.620 1.00 0.00 H new ATOM 895 N LYS A 143 4.463 -0.044 4.822 1.00 0.00 N ATOM 896 CA LYS A 143 3.155 -0.640 4.579 1.00 0.00 C ATOM 897 C LYS A 143 2.691 -0.375 3.150 1.00 0.00 C ATOM 898 O LYS A 143 2.118 -1.250 2.501 1.00 0.00 O ATOM 899 CB LYS A 143 2.128 -0.093 5.572 1.00 0.00 C ATOM 900 CG LYS A 143 0.802 -0.837 5.550 1.00 0.00 C ATOM 901 CD LYS A 143 0.284 -1.099 6.956 1.00 0.00 C ATOM 902 CE LYS A 143 -0.839 -2.123 6.956 1.00 0.00 C ATOM 903 NZ LYS A 143 -1.463 -2.263 8.301 1.00 0.00 N ATOM 0 H LYS A 143 4.441 0.812 5.377 1.00 0.00 H new ATOM 0 HA LYS A 143 3.245 -1.717 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 143 2.546 -0.142 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 143 1.948 0.959 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 143 0.067 -0.256 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.924 -1.784 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 143 1.100 -1.453 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -0.073 -0.166 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -1.599 -1.828 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -0.450 -3.089 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.224 -2.970 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -0.744 -2.569 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -1.857 -1.348 8.598 1.00 0.00 H new ATOM 917 N LEU A 144 2.942 0.838 2.667 1.00 0.00 N ATOM 918 CA LEU A 144 2.550 1.216 1.313 1.00 0.00 C ATOM 919 C LEU A 144 3.399 0.489 0.277 1.00 0.00 C ATOM 920 O LEU A 144 2.882 -0.016 -0.720 1.00 0.00 O ATOM 921 CB LEU A 144 2.674 2.730 1.127 1.00 0.00 C ATOM 922 CG LEU A 144 1.500 3.391 0.402 1.00 0.00 C ATOM 923 CD1 LEU A 144 1.538 4.899 0.587 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.519 3.033 -1.077 1.00 0.00 C ATOM 0 H LEU A 144 3.414 1.575 3.191 1.00 0.00 H new ATOM 0 HA LEU A 144 1.510 0.925 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 144 2.783 3.194 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.588 2.939 0.572 1.00 0.00 H new ATOM 0 HG LEU A 144 0.573 3.017 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.695 5.351 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.476 5.137 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.470 5.292 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.677 3.511 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.451 3.379 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 144 1.442 1.952 -1.191 1.00 0.00 H new ATOM 936 N ALA A 145 4.706 0.439 0.516 1.00 0.00 N ATOM 937 CA ALA A 145 5.626 -0.226 -0.398 1.00 0.00 C ATOM 938 C ALA A 145 5.331 -1.719 -0.484 1.00 0.00 C ATOM 939 O ALA A 145 5.092 -2.254 -1.566 1.00 0.00 O ATOM 940 CB ALA A 145 7.064 0.007 0.038 1.00 0.00 C ATOM 0 H ALA A 145 5.151 0.852 1.336 1.00 0.00 H new ATOM 0 HA ALA A 145 5.486 0.202 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.740 -0.496 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.275 1.076 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 145 7.209 -0.393 1.042 1.00 0.00 H new ATOM 946 N ARG A 146 5.350 -2.388 0.665 1.00 0.00 N ATOM 947 CA ARG A 146 5.084 -3.820 0.720 1.00 0.00 C ATOM 948 C ARG A 146 3.688 -4.135 0.193 1.00 0.00 C ATOM 949 O ARG A 146 3.453 -5.207 -0.366 1.00 0.00 O ATOM 950 CB ARG A 146 5.228 -4.331 2.156 1.00 0.00 C ATOM 951 CG ARG A 146 5.831 -5.723 2.249 1.00 0.00 C ATOM 952 CD ARG A 146 7.351 -5.674 2.216 1.00 0.00 C ATOM 953 NE ARG A 146 7.948 -6.956 2.584 1.00 0.00 N ATOM 954 CZ ARG A 146 8.072 -7.382 3.840 1.00 0.00 C ATOM 955 NH1 ARG A 146 7.642 -6.633 4.848 1.00 0.00 N ATOM 956 NH2 ARG A 146 8.627 -8.560 4.087 1.00 0.00 N ATOM 0 H ARG A 146 5.547 -1.961 1.570 1.00 0.00 H new ATOM 0 HA ARG A 146 5.813 -4.325 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.851 -3.636 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.247 -4.337 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.501 -6.203 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.467 -6.334 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 146 7.683 -5.393 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 146 7.704 -4.901 2.898 1.00 0.00 H new ATOM 0 HE ARG A 146 8.289 -7.559 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.214 -5.726 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 146 7.740 -6.965 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 146 8.959 -9.139 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 146 8.723 -8.887 5.048 1.00 0.00 H new ATOM 970 N SER A 147 2.765 -3.196 0.375 1.00 0.00 N ATOM 971 CA SER A 147 1.392 -3.375 -0.083 1.00 0.00 C ATOM 972 C SER A 147 1.323 -3.388 -1.607 1.00 0.00 C ATOM 973 O SER A 147 0.634 -4.218 -2.200 1.00 0.00 O ATOM 974 CB SER A 147 0.499 -2.262 0.469 1.00 0.00 C ATOM 975 OG SER A 147 0.080 -2.553 1.791 1.00 0.00 O ATOM 0 H SER A 147 2.943 -2.304 0.836 1.00 0.00 H new ATOM 0 HA SER A 147 1.035 -4.336 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.041 -1.316 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.373 -2.139 -0.173 1.00 0.00 H new ATOM 0 HG SER A 147 0.591 -2.007 2.424 1.00 0.00 H new ATOM 981 N LEU A 148 2.041 -2.464 -2.235 1.00 0.00 N ATOM 982 CA LEU A 148 2.062 -2.368 -3.690 1.00 0.00 C ATOM 983 C LEU A 148 2.901 -3.488 -4.297 1.00 0.00 C ATOM 984 O LEU A 148 2.589 -3.999 -5.372 1.00 0.00 O ATOM 985 CB LEU A 148 2.613 -1.010 -4.125 1.00 0.00 C ATOM 986 CG LEU A 148 1.786 0.198 -3.682 1.00 0.00 C ATOM 987 CD1 LEU A 148 2.500 1.494 -4.036 1.00 0.00 C ATOM 988 CD2 LEU A 148 0.404 0.159 -4.317 1.00 0.00 C ATOM 0 H LEU A 148 2.617 -1.770 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 148 1.038 -2.469 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.624 -0.903 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 148 2.691 -0.998 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 148 1.669 0.156 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 148 1.896 2.342 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.467 1.525 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.649 1.545 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.171 1.026 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.502 0.176 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -0.110 -0.753 -4.013 1.00 0.00 H new ATOM 1000 N GLN A 149 3.970 -3.863 -3.600 1.00 0.00 N ATOM 1001 CA GLN A 149 4.856 -4.922 -4.071 1.00 0.00 C ATOM 1002 C GLN A 149 4.146 -6.272 -4.064 1.00 0.00 C ATOM 1003 O GLN A 149 4.137 -6.984 -5.067 1.00 0.00 O ATOM 1004 CB GLN A 149 6.111 -4.988 -3.198 1.00 0.00 C ATOM 1005 CG GLN A 149 7.330 -5.530 -3.927 1.00 0.00 C ATOM 1006 CD GLN A 149 8.391 -6.052 -2.978 1.00 0.00 C ATOM 1007 OE1 GLN A 149 8.089 -6.480 -1.864 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.645 -6.018 -3.416 1.00 0.00 N ATOM 0 H GLN A 149 4.243 -3.450 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 149 5.144 -4.691 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 149 6.336 -3.989 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 149 5.908 -5.616 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 149 7.021 -6.332 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 149 7.758 -4.743 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 149 9.850 -5.655 -4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 149 10.402 -6.355 -2.821 1.00 0.00 H new ATOM 1017 N ILE A 150 3.551 -6.617 -2.926 1.00 0.00 N ATOM 1018 CA ILE A 150 2.840 -7.881 -2.789 1.00 0.00 C ATOM 1019 C ILE A 150 1.440 -7.801 -3.394 1.00 0.00 C ATOM 1020 O ILE A 150 0.825 -8.825 -3.694 1.00 0.00 O ATOM 1021 CB ILE A 150 2.725 -8.305 -1.313 1.00 0.00 C ATOM 1022 CG1 ILE A 150 4.087 -8.205 -0.624 1.00 0.00 C ATOM 1023 CG2 ILE A 150 2.175 -9.720 -1.208 1.00 0.00 C ATOM 1024 CD1 ILE A 150 4.013 -8.346 0.882 1.00 0.00 C ATOM 0 H ILE A 150 3.548 -6.038 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 150 3.422 -8.627 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 150 2.033 -7.630 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 150 4.744 -8.978 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 150 4.540 -7.244 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.100 -10.004 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 150 1.187 -9.761 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.843 -10.409 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.014 -8.265 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.382 -7.557 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.589 -9.318 1.136 1.00 0.00 H new ATOM 1036 N GLY A 151 0.943 -6.582 -3.570 1.00 0.00 N ATOM 1037 CA GLY A 151 -0.379 -6.396 -4.139 1.00 0.00 C ATOM 1038 C GLY A 151 -0.400 -6.608 -5.640 1.00 0.00 C ATOM 1039 O GLY A 151 -1.323 -7.222 -6.175 1.00 0.00 O ATOM 0 H GLY A 151 1.431 -5.720 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -1.075 -7.090 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.730 -5.389 -3.913 1.00 0.00 H new