USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=7 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 136 HIS : no HD1:sc= -1.77 X(o=-6.6,f=-6.9) USER MOD Set 1.2: A 137 HIS : no HD1:sc= -4.82! C(o=-6.6!,f=-8.5!) USER MOD Single : A 88 MET CE :methyl 149:sc= -0.511 (180deg=-2.24!) 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= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.978 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.061) USER MOD Single : A 141 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 142 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.6) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 84:sc= 0.361 USER MOD Single : A 149 GLN : amide:sc= 0 K(o=0,f=0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 2.186 6.725 17.098 1.00 0.00 N ATOM 2 CA MET A 88 1.646 6.709 15.714 1.00 0.00 C ATOM 3 C MET A 88 1.235 8.109 15.267 1.00 0.00 C ATOM 4 O MET A 88 1.455 9.088 15.980 1.00 0.00 O ATOM 5 CB MET A 88 0.442 5.766 15.668 1.00 0.00 C ATOM 6 CG MET A 88 0.786 4.324 16.005 1.00 0.00 C ATOM 7 SD MET A 88 1.233 3.358 14.550 1.00 0.00 S ATOM 8 CE MET A 88 0.193 1.915 14.768 1.00 0.00 C ATOM 0 HA MET A 88 2.422 6.360 15.033 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.315 6.123 16.366 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.000 5.802 14.672 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.613 4.308 16.715 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.066 3.857 16.498 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.083 1.514 13.792 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.737 1.157 15.331 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.708 2.195 15.313 1.00 0.00 H new ATOM 20 N PHE A 89 0.638 8.197 14.081 1.00 0.00 N ATOM 21 CA PHE A 89 0.199 9.478 13.541 1.00 0.00 C ATOM 22 C PHE A 89 -1.007 9.300 12.624 1.00 0.00 C ATOM 23 O PHE A 89 -0.879 8.814 11.501 1.00 0.00 O ATOM 24 CB PHE A 89 1.340 10.151 12.776 1.00 0.00 C ATOM 25 CG PHE A 89 2.353 10.812 13.667 1.00 0.00 C ATOM 26 CD1 PHE A 89 1.979 11.836 14.522 1.00 0.00 C ATOM 27 CD2 PHE A 89 3.678 10.410 13.648 1.00 0.00 C ATOM 28 CE1 PHE A 89 2.910 12.447 15.343 1.00 0.00 C ATOM 29 CE2 PHE A 89 4.613 11.016 14.465 1.00 0.00 C ATOM 30 CZ PHE A 89 4.228 12.036 15.314 1.00 0.00 C ATOM 0 H PHE A 89 0.448 7.397 13.477 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.094 10.113 14.377 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.842 9.406 12.159 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.923 10.896 12.099 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.949 12.161 14.548 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.984 9.613 12.987 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.606 13.244 16.005 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.643 10.693 14.440 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.957 12.511 15.954 1.00 0.00 H new ATOM 40 N ALA A 90 -2.178 9.699 13.111 1.00 0.00 N ATOM 41 CA ALA A 90 -3.408 9.584 12.336 1.00 0.00 C ATOM 42 C ALA A 90 -3.572 10.769 11.390 1.00 0.00 C ATOM 43 O ALA A 90 -3.811 11.895 11.824 1.00 0.00 O ATOM 44 CB ALA A 90 -4.609 9.478 13.266 1.00 0.00 C ATOM 0 H ALA A 90 -2.301 10.105 14.039 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.347 8.677 11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.521 9.393 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.503 8.597 13.898 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.664 10.369 13.892 1.00 0.00 H new ATOM 50 N MET A 91 -3.442 10.506 10.094 1.00 0.00 N ATOM 51 CA MET A 91 -3.577 11.551 9.085 1.00 0.00 C ATOM 52 C MET A 91 -5.047 11.840 8.793 1.00 0.00 C ATOM 53 O MET A 91 -5.931 11.435 9.548 1.00 0.00 O ATOM 54 CB MET A 91 -2.851 11.141 7.800 1.00 0.00 C ATOM 55 CG MET A 91 -1.701 12.065 7.431 1.00 0.00 C ATOM 56 SD MET A 91 -1.936 12.869 5.833 1.00 0.00 S ATOM 57 CE MET A 91 -1.460 11.550 4.720 1.00 0.00 C ATOM 0 H MET A 91 -3.243 9.579 9.718 1.00 0.00 H new ATOM 0 HA MET A 91 -3.122 12.462 9.473 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.469 10.127 7.916 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.567 11.120 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.591 12.826 8.203 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.773 11.493 7.412 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.552 11.893 3.689 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.427 11.263 4.916 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.111 10.690 4.876 1.00 0.00 H new ATOM 67 N TYR A 92 -5.302 12.538 7.690 1.00 0.00 N ATOM 68 CA TYR A 92 -6.664 12.876 7.295 1.00 0.00 C ATOM 69 C TYR A 92 -6.953 12.351 5.894 1.00 0.00 C ATOM 70 O TYR A 92 -6.032 12.095 5.123 1.00 0.00 O ATOM 71 CB TYR A 92 -6.871 14.392 7.340 1.00 0.00 C ATOM 72 CG TYR A 92 -5.738 15.179 6.719 1.00 0.00 C ATOM 73 CD1 TYR A 92 -4.521 15.317 7.376 1.00 0.00 C ATOM 74 CD2 TYR A 92 -5.886 15.783 5.477 1.00 0.00 C ATOM 75 CE1 TYR A 92 -3.484 16.037 6.811 1.00 0.00 C ATOM 76 CE2 TYR A 92 -4.854 16.504 4.907 1.00 0.00 C ATOM 77 CZ TYR A 92 -3.655 16.627 5.577 1.00 0.00 C ATOM 78 OH TYR A 92 -2.626 17.344 5.013 1.00 0.00 O ATOM 0 H TYR A 92 -4.582 12.880 7.054 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.354 12.407 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.799 14.639 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.991 14.703 8.378 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.383 14.855 8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.823 15.688 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.545 16.137 7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.986 16.969 3.941 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.909 17.693 4.142 1.00 0.00 H new ATOM 88 N PRO A 93 -8.239 12.175 5.545 1.00 0.00 N ATOM 89 CA PRO A 93 -8.638 11.668 4.232 1.00 0.00 C ATOM 90 C PRO A 93 -8.722 12.761 3.167 1.00 0.00 C ATOM 91 O PRO A 93 -9.425 12.609 2.168 1.00 0.00 O ATOM 92 CB PRO A 93 -10.021 11.089 4.512 1.00 0.00 C ATOM 93 CG PRO A 93 -10.580 11.959 5.588 1.00 0.00 C ATOM 94 CD PRO A 93 -9.406 12.444 6.407 1.00 0.00 C ATOM 0 HA PRO A 93 -7.918 10.955 3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.647 11.109 3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.958 10.050 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.128 12.799 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.282 11.403 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.493 13.505 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.333 11.912 7.356 1.00 0.00 H new ATOM 102 N ASP A 94 -8.006 13.862 3.381 1.00 0.00 N ATOM 103 CA ASP A 94 -8.010 14.970 2.430 1.00 0.00 C ATOM 104 C ASP A 94 -6.645 15.145 1.763 1.00 0.00 C ATOM 105 O ASP A 94 -6.398 16.155 1.103 1.00 0.00 O ATOM 106 CB ASP A 94 -8.415 16.267 3.134 1.00 0.00 C ATOM 107 CG ASP A 94 -9.365 17.104 2.301 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.435 16.585 1.920 1.00 0.00 O ATOM 109 OD2 ASP A 94 -9.039 18.279 2.028 1.00 0.00 O ATOM 0 H ASP A 94 -7.418 14.010 4.201 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.737 14.736 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.886 16.028 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.522 16.850 3.357 1.00 0.00 H new ATOM 114 N TRP A 95 -5.761 14.165 1.936 1.00 0.00 N ATOM 115 CA TRP A 95 -4.433 14.228 1.349 1.00 0.00 C ATOM 116 C TRP A 95 -4.493 14.043 -0.164 1.00 0.00 C ATOM 117 O TRP A 95 -5.136 13.119 -0.663 1.00 0.00 O ATOM 118 CB TRP A 95 -3.536 13.159 1.971 1.00 0.00 C ATOM 119 CG TRP A 95 -3.999 11.760 1.706 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.807 11.001 2.502 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.677 10.948 0.571 1.00 0.00 C ATOM 122 NE1 TRP A 95 -5.012 9.769 1.930 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.328 9.711 0.745 1.00 0.00 C ATOM 124 CE3 TRP A 95 -2.903 11.146 -0.576 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.228 8.680 -0.186 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -2.805 10.121 -1.498 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.465 8.901 -1.298 1.00 0.00 C ATOM 0 H TRP A 95 -5.944 13.320 2.478 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.016 15.214 1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.523 13.277 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.488 13.319 3.048 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.225 11.322 3.445 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.581 9.020 2.324 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.391 12.083 -0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.736 7.739 -0.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.210 10.263 -2.388 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.369 8.120 -2.038 1.00 0.00 H new ATOM 138 N GLN A 96 -3.818 14.930 -0.890 1.00 0.00 N ATOM 139 CA GLN A 96 -3.793 14.866 -2.347 1.00 0.00 C ATOM 140 C GLN A 96 -2.409 14.464 -2.851 1.00 0.00 C ATOM 141 O GLN A 96 -1.399 14.742 -2.203 1.00 0.00 O ATOM 142 CB GLN A 96 -4.192 16.218 -2.944 1.00 0.00 C ATOM 143 CG GLN A 96 -5.689 16.477 -2.918 1.00 0.00 C ATOM 144 CD GLN A 96 -6.025 17.956 -2.948 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.921 18.415 -2.239 1.00 0.00 O ATOM 146 NE2 GLN A 96 -5.305 18.710 -3.772 1.00 0.00 N ATOM 0 H GLN A 96 -3.281 15.701 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.510 14.109 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.685 17.012 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.841 16.268 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.154 15.985 -3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.116 16.029 -2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.572 18.287 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.485 19.712 -3.835 1.00 0.00 H new ATOM 155 N PRO A 97 -2.343 13.800 -4.018 1.00 0.00 N ATOM 156 CA PRO A 97 -1.073 13.361 -4.605 1.00 0.00 C ATOM 157 C PRO A 97 -0.246 14.528 -5.134 1.00 0.00 C ATOM 158 O PRO A 97 -0.770 15.615 -5.373 1.00 0.00 O ATOM 159 CB PRO A 97 -1.510 12.451 -5.754 1.00 0.00 C ATOM 160 CG PRO A 97 -2.866 12.942 -6.130 1.00 0.00 C ATOM 161 CD PRO A 97 -3.499 13.428 -4.856 1.00 0.00 C ATOM 0 HA PRO A 97 -0.433 12.868 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.819 12.514 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.539 11.407 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.800 13.745 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.458 12.146 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.157 14.279 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.102 12.652 -4.386 1.00 0.00 H new ATOM 169 N ASP A 98 1.050 14.293 -5.313 1.00 0.00 N ATOM 170 CA ASP A 98 1.952 15.325 -5.813 1.00 0.00 C ATOM 171 C ASP A 98 3.359 14.771 -6.006 1.00 0.00 C ATOM 172 O ASP A 98 3.577 13.561 -5.931 1.00 0.00 O ATOM 173 CB ASP A 98 1.986 16.513 -4.849 1.00 0.00 C ATOM 174 CG ASP A 98 1.976 17.845 -5.572 1.00 0.00 C ATOM 175 OD1 ASP A 98 3.043 18.253 -6.078 1.00 0.00 O ATOM 176 OD2 ASP A 98 0.903 18.482 -5.632 1.00 0.00 O ATOM 0 H ASP A 98 1.499 13.398 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 98 1.578 15.662 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.127 16.459 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.879 16.447 -4.227 1.00 0.00 H new ATOM 181 N ALA A 99 4.312 15.663 -6.256 1.00 0.00 N ATOM 182 CA ALA A 99 5.699 15.262 -6.460 1.00 0.00 C ATOM 183 C ALA A 99 6.250 14.546 -5.231 1.00 0.00 C ATOM 184 O ALA A 99 7.096 13.660 -5.344 1.00 0.00 O ATOM 185 CB ALA A 99 6.554 16.476 -6.793 1.00 0.00 C ATOM 0 H ALA A 99 4.149 16.668 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 99 5.731 14.566 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.587 16.163 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.181 16.945 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.507 17.191 -5.971 1.00 0.00 H new ATOM 191 N ASP A 100 5.764 14.938 -4.057 1.00 0.00 N ATOM 192 CA ASP A 100 6.207 14.336 -2.806 1.00 0.00 C ATOM 193 C ASP A 100 5.924 12.837 -2.792 1.00 0.00 C ATOM 194 O ASP A 100 6.656 12.062 -2.175 1.00 0.00 O ATOM 195 CB ASP A 100 5.516 15.008 -1.619 1.00 0.00 C ATOM 196 CG ASP A 100 4.004 14.951 -1.721 1.00 0.00 C ATOM 197 OD1 ASP A 100 3.428 13.885 -1.416 1.00 0.00 O ATOM 198 OD2 ASP A 100 3.396 15.971 -2.107 1.00 0.00 O ATOM 0 H ASP A 100 5.063 15.671 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 100 7.284 14.485 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.833 14.524 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.834 16.049 -1.559 1.00 0.00 H new ATOM 203 N PHE A 101 4.856 12.434 -3.474 1.00 0.00 N ATOM 204 CA PHE A 101 4.478 11.027 -3.538 1.00 0.00 C ATOM 205 C PHE A 101 5.548 10.207 -4.250 1.00 0.00 C ATOM 206 O PHE A 101 5.876 9.097 -3.828 1.00 0.00 O ATOM 207 CB PHE A 101 3.137 10.871 -4.258 1.00 0.00 C ATOM 208 CG PHE A 101 2.297 9.746 -3.722 1.00 0.00 C ATOM 209 CD1 PHE A 101 2.008 9.664 -2.370 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.797 8.772 -4.571 1.00 0.00 C ATOM 211 CE1 PHE A 101 1.236 8.631 -1.873 1.00 0.00 C ATOM 212 CE2 PHE A 101 1.024 7.737 -4.080 1.00 0.00 C ATOM 213 CZ PHE A 101 0.743 7.666 -2.730 1.00 0.00 C ATOM 0 H PHE A 101 4.238 13.061 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 101 4.381 10.656 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.578 11.803 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.321 10.703 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.390 10.416 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.014 8.822 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.018 8.578 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.640 6.984 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.139 6.858 -2.345 1.00 0.00 H new ATOM 223 N ILE A 102 6.092 10.759 -5.329 1.00 0.00 N ATOM 224 CA ILE A 102 7.126 10.078 -6.098 1.00 0.00 C ATOM 225 C ILE A 102 8.457 10.090 -5.355 1.00 0.00 C ATOM 226 O ILE A 102 9.234 9.137 -5.436 1.00 0.00 O ATOM 227 CB ILE A 102 7.317 10.728 -7.483 1.00 0.00 C ATOM 228 CG1 ILE A 102 5.969 10.877 -8.191 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.276 9.903 -8.328 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.960 11.960 -9.249 1.00 0.00 C ATOM 0 H ILE A 102 5.834 11.677 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 102 6.796 9.048 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 102 7.746 11.721 -7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.703 9.926 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.201 11.097 -7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.400 10.375 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.243 9.843 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.873 8.899 -8.460 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.974 12.010 -9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.195 12.920 -8.789 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.705 11.731 -10.011 1.00 0.00 H new ATOM 242 N ARG A 103 8.715 11.174 -4.632 1.00 0.00 N ATOM 243 CA ARG A 103 9.953 11.311 -3.873 1.00 0.00 C ATOM 244 C ARG A 103 9.994 10.317 -2.717 1.00 0.00 C ATOM 245 O ARG A 103 11.029 9.705 -2.447 1.00 0.00 O ATOM 246 CB ARG A 103 10.095 12.741 -3.344 1.00 0.00 C ATOM 247 CG ARG A 103 11.250 13.509 -3.969 1.00 0.00 C ATOM 248 CD ARG A 103 12.332 13.830 -2.948 1.00 0.00 C ATOM 249 NE ARG A 103 13.546 13.048 -3.176 1.00 0.00 N ATOM 250 CZ ARG A 103 14.558 12.983 -2.312 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.503 13.647 -1.164 1.00 0.00 N ATOM 252 NH2 ARG A 103 15.625 12.250 -2.596 1.00 0.00 N ATOM 0 H ARG A 103 8.083 11.971 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 103 10.788 11.096 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.167 13.282 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.234 12.708 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.679 12.923 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.877 14.435 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.571 14.893 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.955 13.631 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 103 13.623 12.522 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.683 14.211 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.281 13.594 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.671 11.736 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.400 12.200 -1.935 1.00 0.00 H new ATOM 266 N LEU A 104 8.863 10.161 -2.038 1.00 0.00 N ATOM 267 CA LEU A 104 8.770 9.242 -0.909 1.00 0.00 C ATOM 268 C LEU A 104 8.783 7.792 -1.384 1.00 0.00 C ATOM 269 O LEU A 104 9.463 6.946 -0.806 1.00 0.00 O ATOM 270 CB LEU A 104 7.496 9.516 -0.107 1.00 0.00 C ATOM 271 CG LEU A 104 7.610 10.639 0.926 1.00 0.00 C ATOM 272 CD1 LEU A 104 6.289 10.828 1.656 1.00 0.00 C ATOM 273 CD2 LEU A 104 8.730 10.343 1.912 1.00 0.00 C ATOM 0 H LEU A 104 7.998 10.659 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 104 9.637 9.403 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.693 9.762 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.204 8.600 0.406 1.00 0.00 H new ATOM 0 HG LEU A 104 7.848 11.566 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.389 11.631 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.510 11.085 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.020 9.903 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.797 11.152 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.522 9.406 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.675 10.259 1.375 1.00 0.00 H new ATOM 285 N ALA A 105 8.026 7.514 -2.441 1.00 0.00 N ATOM 286 CA ALA A 105 7.950 6.168 -2.993 1.00 0.00 C ATOM 287 C ALA A 105 9.322 5.682 -3.448 1.00 0.00 C ATOM 288 O ALA A 105 9.682 4.523 -3.240 1.00 0.00 O ATOM 289 CB ALA A 105 6.964 6.127 -4.150 1.00 0.00 C ATOM 0 H ALA A 105 7.457 8.204 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 105 7.599 5.500 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.917 5.115 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.976 6.423 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.291 6.814 -4.931 1.00 0.00 H new ATOM 295 N ALA A 106 10.083 6.576 -4.071 1.00 0.00 N ATOM 296 CA ALA A 106 11.415 6.238 -4.555 1.00 0.00 C ATOM 297 C ALA A 106 12.406 6.121 -3.402 1.00 0.00 C ATOM 298 O ALA A 106 13.356 5.342 -3.463 1.00 0.00 O ATOM 299 CB ALA A 106 11.890 7.278 -5.559 1.00 0.00 C ATOM 0 H ALA A 106 9.800 7.539 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 106 11.360 5.269 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.887 7.014 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.202 7.309 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 106 11.923 8.257 -5.081 1.00 0.00 H new ATOM 305 N LEU A 107 12.176 6.902 -2.351 1.00 0.00 N ATOM 306 CA LEU A 107 13.046 6.888 -1.183 1.00 0.00 C ATOM 307 C LEU A 107 12.696 5.722 -0.260 1.00 0.00 C ATOM 308 O LEU A 107 13.563 5.182 0.428 1.00 0.00 O ATOM 309 CB LEU A 107 12.931 8.216 -0.428 1.00 0.00 C ATOM 310 CG LEU A 107 13.478 8.205 1.000 1.00 0.00 C ATOM 311 CD1 LEU A 107 14.970 7.916 0.998 1.00 0.00 C ATOM 312 CD2 LEU A 107 13.190 9.530 1.691 1.00 0.00 C ATOM 0 H LEU A 107 11.393 7.553 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 107 14.075 6.759 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.457 8.984 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.881 8.507 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 107 12.977 7.412 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.341 7.912 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.151 6.942 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.489 8.686 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 107 13.586 9.505 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 107 13.664 10.340 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.113 9.696 1.726 1.00 0.00 H new ATOM 324 N TRP A 108 11.423 5.340 -0.251 1.00 0.00 N ATOM 325 CA TRP A 108 10.962 4.240 0.589 1.00 0.00 C ATOM 326 C TRP A 108 11.404 2.889 0.028 1.00 0.00 C ATOM 327 O TRP A 108 11.326 1.869 0.713 1.00 0.00 O ATOM 328 CB TRP A 108 9.437 4.276 0.719 1.00 0.00 C ATOM 329 CG TRP A 108 8.937 5.412 1.558 1.00 0.00 C ATOM 330 CD1 TRP A 108 9.659 6.159 2.446 1.00 0.00 C ATOM 331 CD2 TRP A 108 7.602 5.929 1.593 1.00 0.00 C ATOM 332 NE1 TRP A 108 8.855 7.109 3.026 1.00 0.00 N ATOM 333 CE2 TRP A 108 7.588 6.989 2.520 1.00 0.00 C ATOM 334 CE3 TRP A 108 6.416 5.601 0.928 1.00 0.00 C ATOM 335 CZ2 TRP A 108 6.436 7.721 2.799 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.274 6.329 1.206 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.290 7.377 2.134 1.00 0.00 C ATOM 0 H TRP A 108 10.693 5.775 -0.815 1.00 0.00 H new ATOM 0 HA TRP A 108 11.411 4.362 1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.997 4.348 -0.276 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.095 3.336 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.709 6.022 2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.153 7.793 3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.393 4.794 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.447 8.530 3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.353 6.085 0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.380 7.925 2.329 1.00 0.00 H new ATOM 348 N GLY A 109 11.869 2.885 -1.218 1.00 0.00 N ATOM 349 CA GLY A 109 12.314 1.650 -1.839 1.00 0.00 C ATOM 350 C GLY A 109 11.363 1.170 -2.918 1.00 0.00 C ATOM 351 O GLY A 109 11.136 -0.031 -3.065 1.00 0.00 O ATOM 0 H GLY A 109 11.946 3.714 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.303 1.800 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.413 0.878 -1.076 1.00 0.00 H new ATOM 355 N VAL A 110 10.805 2.111 -3.672 1.00 0.00 N ATOM 356 CA VAL A 110 9.872 1.778 -4.742 1.00 0.00 C ATOM 357 C VAL A 110 10.109 2.652 -5.969 1.00 0.00 C ATOM 358 O VAL A 110 9.853 3.856 -5.944 1.00 0.00 O ATOM 359 CB VAL A 110 8.411 1.942 -4.284 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.456 1.399 -5.335 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.190 1.253 -2.945 1.00 0.00 C ATOM 0 H VAL A 110 10.982 3.109 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 110 10.048 0.734 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 110 8.207 3.005 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.429 1.524 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.596 1.943 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.658 0.340 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.152 1.380 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.413 0.190 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.847 1.695 -2.196 1.00 0.00 H new ATOM 371 N ALA A 111 10.601 2.038 -7.040 1.00 0.00 N ATOM 372 CA ALA A 111 10.875 2.760 -8.278 1.00 0.00 C ATOM 373 C ALA A 111 9.932 2.317 -9.392 1.00 0.00 C ATOM 374 O ALA A 111 10.029 1.197 -9.892 1.00 0.00 O ATOM 375 CB ALA A 111 12.322 2.557 -8.698 1.00 0.00 C ATOM 0 H ALA A 111 10.818 1.042 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 111 10.707 3.821 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.512 3.101 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.984 2.929 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 111 12.509 1.495 -8.857 1.00 0.00 H new ATOM 381 N LEU A 112 9.021 3.206 -9.777 1.00 0.00 N ATOM 382 CA LEU A 112 8.061 2.906 -10.832 1.00 0.00 C ATOM 383 C LEU A 112 8.309 3.782 -12.056 1.00 0.00 C ATOM 384 O LEU A 112 8.946 4.831 -11.963 1.00 0.00 O ATOM 385 CB LEU A 112 6.631 3.113 -10.327 1.00 0.00 C ATOM 386 CG LEU A 112 6.041 1.930 -9.555 1.00 0.00 C ATOM 387 CD1 LEU A 112 6.152 2.161 -8.056 1.00 0.00 C ATOM 388 CD2 LEU A 112 4.590 1.704 -9.953 1.00 0.00 C ATOM 0 H LEU A 112 8.928 4.139 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 112 8.190 1.862 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.612 3.993 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.988 3.328 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 112 6.611 1.036 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.727 1.310 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.201 2.274 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.607 3.066 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.187 0.859 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.008 2.598 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.534 1.493 -11.021 1.00 0.00 H new ATOM 400 N ARG A 113 7.800 3.345 -13.204 1.00 0.00 N ATOM 401 CA ARG A 113 7.967 4.088 -14.447 1.00 0.00 C ATOM 402 C ARG A 113 6.817 5.070 -14.653 1.00 0.00 C ATOM 403 O ARG A 113 7.034 6.228 -15.011 1.00 0.00 O ATOM 404 CB ARG A 113 8.049 3.127 -15.635 1.00 0.00 C ATOM 405 CG ARG A 113 9.465 2.669 -15.950 1.00 0.00 C ATOM 406 CD ARG A 113 9.651 1.188 -15.662 1.00 0.00 C ATOM 407 NE ARG A 113 9.418 0.871 -14.254 1.00 0.00 N ATOM 408 CZ ARG A 113 9.213 -0.362 -13.797 1.00 0.00 C ATOM 409 NH1 ARG A 113 9.212 -1.395 -14.631 1.00 0.00 N ATOM 410 NH2 ARG A 113 9.009 -0.563 -12.502 1.00 0.00 N ATOM 0 H ARG A 113 7.268 2.480 -13.298 1.00 0.00 H new ATOM 0 HA ARG A 113 8.897 4.652 -14.380 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.431 2.253 -15.428 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.629 3.614 -16.515 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.687 2.867 -16.999 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.175 3.247 -15.359 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.966 0.609 -16.282 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.662 0.889 -15.939 1.00 0.00 H new ATOM 0 HE ARG A 113 9.412 1.639 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.369 -1.246 -15.628 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.054 -2.338 -14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.009 0.227 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.852 -1.508 -12.151 1.00 0.00 H new ATOM 424 N GLU A 114 5.596 4.601 -14.424 1.00 0.00 N ATOM 425 CA GLU A 114 4.413 5.438 -14.585 1.00 0.00 C ATOM 426 C GLU A 114 3.811 5.796 -13.228 1.00 0.00 C ATOM 427 O GLU A 114 4.000 5.078 -12.246 1.00 0.00 O ATOM 428 CB GLU A 114 3.369 4.723 -15.446 1.00 0.00 C ATOM 429 CG GLU A 114 3.511 5.006 -16.932 1.00 0.00 C ATOM 430 CD GLU A 114 2.898 3.921 -17.795 1.00 0.00 C ATOM 431 OE1 GLU A 114 1.654 3.805 -17.808 1.00 0.00 O ATOM 432 OE2 GLU A 114 3.660 3.185 -18.456 1.00 0.00 O ATOM 0 H GLU A 114 5.399 3.645 -14.126 1.00 0.00 H new ATOM 0 HA GLU A 114 4.716 6.359 -15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.447 3.649 -15.280 1.00 0.00 H new ATOM 0 HB3 GLU A 114 2.373 5.024 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.037 5.960 -17.163 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.568 5.107 -17.179 1.00 0.00 H new ATOM 439 N PRO A 115 3.074 6.919 -13.156 1.00 0.00 N ATOM 440 CA PRO A 115 2.443 7.371 -11.911 1.00 0.00 C ATOM 441 C PRO A 115 1.594 6.284 -11.263 1.00 0.00 C ATOM 442 O PRO A 115 1.481 5.175 -11.787 1.00 0.00 O ATOM 443 CB PRO A 115 1.563 8.540 -12.361 1.00 0.00 C ATOM 444 CG PRO A 115 2.206 9.040 -13.607 1.00 0.00 C ATOM 445 CD PRO A 115 2.799 7.833 -14.279 1.00 0.00 C ATOM 0 HA PRO A 115 3.181 7.642 -11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 115 0.539 8.216 -12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 115 1.518 9.318 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.477 9.528 -14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.975 9.778 -13.380 1.00 0.00 H new ATOM 0 HD2 PRO A 115 2.107 7.392 -14.996 1.00 0.00 H new ATOM 0 HD3 PRO A 115 3.708 8.083 -14.826 1.00 0.00 H new ATOM 453 N VAL A 116 0.997 6.608 -10.120 1.00 0.00 N ATOM 454 CA VAL A 116 0.157 5.658 -9.401 1.00 0.00 C ATOM 455 C VAL A 116 -1.220 5.540 -10.048 1.00 0.00 C ATOM 456 O VAL A 116 -1.705 6.481 -10.674 1.00 0.00 O ATOM 457 CB VAL A 116 -0.011 6.065 -7.922 1.00 0.00 C ATOM 458 CG1 VAL A 116 -0.711 7.411 -7.809 1.00 0.00 C ATOM 459 CG2 VAL A 116 -0.773 4.993 -7.156 1.00 0.00 C ATOM 0 H VAL A 116 1.080 7.521 -9.673 1.00 0.00 H new ATOM 0 HA VAL A 116 0.659 4.691 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 116 0.980 6.162 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.819 7.678 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.120 8.172 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.697 7.348 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.882 5.297 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -1.759 4.860 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.224 4.052 -7.203 1.00 0.00 H new ATOM 469 N THR A 117 -1.843 4.377 -9.889 1.00 0.00 N ATOM 470 CA THR A 117 -3.165 4.134 -10.456 1.00 0.00 C ATOM 471 C THR A 117 -4.257 4.669 -9.536 1.00 0.00 C ATOM 472 O THR A 117 -4.095 4.698 -8.317 1.00 0.00 O ATOM 473 CB THR A 117 -3.373 2.639 -10.700 1.00 0.00 C ATOM 474 OG1 THR A 117 -3.383 1.928 -9.474 1.00 0.00 O ATOM 475 CG2 THR A 117 -2.307 2.022 -11.579 1.00 0.00 C ATOM 0 H THR A 117 -1.454 3.588 -9.372 1.00 0.00 H new ATOM 0 HA THR A 117 -3.227 4.661 -11.408 1.00 0.00 H new ATOM 0 HB THR A 117 -4.333 2.560 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.358 0.965 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.515 0.960 -11.712 1.00 0.00 H new ATOM 0 HG22 THR A 117 -2.306 2.516 -12.551 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.331 2.145 -11.109 1.00 0.00 H new ATOM 483 N THR A 118 -5.369 5.090 -10.129 1.00 0.00 N ATOM 484 CA THR A 118 -6.489 5.624 -9.362 1.00 0.00 C ATOM 485 C THR A 118 -7.161 4.528 -8.541 1.00 0.00 C ATOM 486 O THR A 118 -7.699 4.786 -7.465 1.00 0.00 O ATOM 487 CB THR A 118 -7.510 6.275 -10.297 1.00 0.00 C ATOM 488 OG1 THR A 118 -8.641 6.721 -9.571 1.00 0.00 O ATOM 489 CG2 THR A 118 -8.000 5.347 -11.387 1.00 0.00 C ATOM 0 H THR A 118 -5.519 5.072 -11.138 1.00 0.00 H new ATOM 0 HA THR A 118 -6.100 6.378 -8.677 1.00 0.00 H new ATOM 0 HB THR A 118 -6.985 7.110 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.282 7.136 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.721 5.871 -12.014 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.156 5.024 -11.997 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.476 4.476 -10.937 1.00 0.00 H new ATOM 497 N GLU A 119 -7.126 3.303 -9.058 1.00 0.00 N ATOM 498 CA GLU A 119 -7.732 2.167 -8.372 1.00 0.00 C ATOM 499 C GLU A 119 -7.112 1.967 -6.994 1.00 0.00 C ATOM 500 O GLU A 119 -7.821 1.809 -6.000 1.00 0.00 O ATOM 501 CB GLU A 119 -7.571 0.895 -9.207 1.00 0.00 C ATOM 502 CG GLU A 119 -6.129 0.587 -9.573 1.00 0.00 C ATOM 503 CD GLU A 119 -6.007 -0.155 -10.889 1.00 0.00 C ATOM 504 OE1 GLU A 119 -6.492 0.370 -11.914 1.00 0.00 O ATOM 505 OE2 GLU A 119 -5.425 -1.261 -10.896 1.00 0.00 O ATOM 0 H GLU A 119 -6.685 3.072 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.794 2.378 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.985 0.052 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.156 0.994 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.566 1.519 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.676 -0.009 -8.781 1.00 0.00 H new ATOM 512 N GLU A 120 -5.784 1.974 -6.941 1.00 0.00 N ATOM 513 CA GLU A 120 -5.068 1.794 -5.685 1.00 0.00 C ATOM 514 C GLU A 120 -5.265 2.998 -4.770 1.00 0.00 C ATOM 515 O GLU A 120 -5.259 2.868 -3.546 1.00 0.00 O ATOM 516 CB GLU A 120 -3.576 1.577 -5.949 1.00 0.00 C ATOM 517 CG GLU A 120 -2.862 0.833 -4.832 1.00 0.00 C ATOM 518 CD GLU A 120 -2.001 -0.305 -5.345 1.00 0.00 C ATOM 519 OE1 GLU A 120 -1.594 -0.256 -6.525 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.735 -1.245 -4.568 1.00 0.00 O ATOM 0 H GLU A 120 -5.182 2.103 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.473 0.912 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.457 1.020 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.097 2.545 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.239 1.533 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.600 0.439 -4.134 1.00 0.00 H new ATOM 527 N LEU A 121 -5.441 4.169 -5.373 1.00 0.00 N ATOM 528 CA LEU A 121 -5.641 5.398 -4.614 1.00 0.00 C ATOM 529 C LEU A 121 -6.918 5.319 -3.781 1.00 0.00 C ATOM 530 O LEU A 121 -6.884 5.458 -2.558 1.00 0.00 O ATOM 531 CB LEU A 121 -5.705 6.601 -5.561 1.00 0.00 C ATOM 532 CG LEU A 121 -4.429 7.443 -5.629 1.00 0.00 C ATOM 533 CD1 LEU A 121 -4.258 8.254 -4.354 1.00 0.00 C ATOM 534 CD2 LEU A 121 -3.215 6.559 -5.868 1.00 0.00 C ATOM 0 H LEU A 121 -5.449 4.293 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.795 5.523 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.939 6.242 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.530 7.243 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.518 8.134 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.346 8.847 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.114 8.917 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.192 7.580 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.318 7.177 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.121 5.842 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.334 6.024 -6.810 1.00 0.00 H new ATOM 546 N ALA A 122 -8.043 5.095 -4.452 1.00 0.00 N ATOM 547 CA ALA A 122 -9.330 4.996 -3.776 1.00 0.00 C ATOM 548 C ALA A 122 -9.356 3.813 -2.814 1.00 0.00 C ATOM 549 O ALA A 122 -9.898 3.908 -1.712 1.00 0.00 O ATOM 550 CB ALA A 122 -10.453 4.875 -4.795 1.00 0.00 C ATOM 0 H ALA A 122 -8.089 4.979 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.478 5.906 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.409 4.802 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.456 5.754 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.300 3.982 -5.401 1.00 0.00 H new ATOM 556 N SER A 123 -8.766 2.700 -3.237 1.00 0.00 N ATOM 557 CA SER A 123 -8.720 1.498 -2.413 1.00 0.00 C ATOM 558 C SER A 123 -8.000 1.767 -1.096 1.00 0.00 C ATOM 559 O SER A 123 -8.455 1.353 -0.030 1.00 0.00 O ATOM 560 CB SER A 123 -8.022 0.365 -3.166 1.00 0.00 C ATOM 561 OG SER A 123 -8.489 -0.901 -2.732 1.00 0.00 O ATOM 0 H SER A 123 -8.313 2.606 -4.146 1.00 0.00 H new ATOM 0 HA SER A 123 -9.745 1.201 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.198 0.473 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.945 0.431 -3.012 1.00 0.00 H new ATOM 0 HG SER A 123 -8.028 -1.608 -3.230 1.00 0.00 H new ATOM 567 N PHE A 124 -6.870 2.463 -1.177 1.00 0.00 N ATOM 568 CA PHE A 124 -6.085 2.787 0.008 1.00 0.00 C ATOM 569 C PHE A 124 -6.889 3.646 0.978 1.00 0.00 C ATOM 570 O PHE A 124 -6.942 3.364 2.175 1.00 0.00 O ATOM 571 CB PHE A 124 -4.799 3.514 -0.390 1.00 0.00 C ATOM 572 CG PHE A 124 -3.610 3.131 0.446 1.00 0.00 C ATOM 573 CD1 PHE A 124 -3.512 3.546 1.764 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.593 2.355 -0.087 1.00 0.00 C ATOM 575 CE1 PHE A 124 -2.421 3.196 2.536 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.499 2.002 0.680 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.413 2.423 1.993 1.00 0.00 C ATOM 0 H PHE A 124 -6.478 2.813 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.827 1.853 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.580 3.302 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.959 4.589 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.298 4.150 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.656 2.023 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.356 3.526 3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.712 1.398 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.559 2.148 2.594 1.00 0.00 H new ATOM 587 N ILE A 125 -7.513 4.696 0.455 1.00 0.00 N ATOM 588 CA ILE A 125 -8.314 5.595 1.277 1.00 0.00 C ATOM 589 C ILE A 125 -9.539 4.878 1.838 1.00 0.00 C ATOM 590 O ILE A 125 -9.999 5.181 2.938 1.00 0.00 O ATOM 591 CB ILE A 125 -8.773 6.832 0.478 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.573 7.511 -0.185 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.507 7.812 1.384 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.956 8.657 -1.096 1.00 0.00 C ATOM 0 H ILE A 125 -7.479 4.945 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.679 5.923 2.100 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.461 6.505 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.902 7.882 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.018 6.770 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.823 8.678 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.382 7.325 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.842 8.136 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.056 9.092 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.603 8.288 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.485 9.418 -0.521 1.00 0.00 H new ATOM 606 N ALA A 126 -10.063 3.925 1.074 1.00 0.00 N ATOM 607 CA ALA A 126 -11.232 3.164 1.496 1.00 0.00 C ATOM 608 C ALA A 126 -10.937 2.357 2.756 1.00 0.00 C ATOM 609 O ALA A 126 -11.741 2.327 3.688 1.00 0.00 O ATOM 610 CB ALA A 126 -11.697 2.245 0.376 1.00 0.00 C ATOM 0 H ALA A 126 -9.696 3.662 0.159 1.00 0.00 H new ATOM 0 HA ALA A 126 -12.030 3.870 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.571 1.683 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.958 2.841 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.896 1.552 0.118 1.00 0.00 H new ATOM 616 N TYR A 127 -9.778 1.707 2.778 1.00 0.00 N ATOM 617 CA TYR A 127 -9.375 0.901 3.925 1.00 0.00 C ATOM 618 C TYR A 127 -8.922 1.788 5.081 1.00 0.00 C ATOM 619 O TYR A 127 -9.099 1.442 6.248 1.00 0.00 O ATOM 620 CB TYR A 127 -8.251 -0.060 3.530 1.00 0.00 C ATOM 621 CG TYR A 127 -8.455 -1.472 4.031 1.00 0.00 C ATOM 622 CD1 TYR A 127 -7.981 -1.862 5.277 1.00 0.00 C ATOM 623 CD2 TYR A 127 -9.120 -2.415 3.256 1.00 0.00 C ATOM 624 CE1 TYR A 127 -8.165 -3.152 5.738 1.00 0.00 C ATOM 625 CE2 TYR A 127 -9.306 -3.707 3.711 1.00 0.00 C ATOM 626 CZ TYR A 127 -8.828 -4.070 4.951 1.00 0.00 C ATOM 627 OH TYR A 127 -9.011 -5.355 5.408 1.00 0.00 O ATOM 0 H TYR A 127 -9.101 1.723 2.015 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.238 0.322 4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.165 -0.078 2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.306 0.321 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.460 -1.146 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -9.497 -2.134 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -7.791 -3.440 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.824 -4.429 3.097 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.497 -5.876 4.735 1.00 0.00 H new ATOM 637 N TRP A 128 -8.337 2.934 4.746 1.00 0.00 N ATOM 638 CA TRP A 128 -7.858 3.872 5.753 1.00 0.00 C ATOM 639 C TRP A 128 -9.026 4.521 6.491 1.00 0.00 C ATOM 640 O TRP A 128 -8.980 4.706 7.707 1.00 0.00 O ATOM 641 CB TRP A 128 -6.981 4.946 5.100 1.00 0.00 C ATOM 642 CG TRP A 128 -6.566 6.042 6.037 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.596 7.384 5.789 1.00 0.00 C ATOM 644 CD2 TRP A 128 -6.057 5.891 7.368 1.00 0.00 C ATOM 645 NE1 TRP A 128 -6.139 8.076 6.883 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.802 7.183 7.865 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.794 4.790 8.188 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.296 7.402 9.144 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.291 5.009 9.457 1.00 0.00 C ATOM 650 CH2 TRP A 128 -5.048 6.307 9.925 1.00 0.00 C ATOM 0 H TRP A 128 -8.184 3.235 3.783 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.261 3.320 6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -6.088 4.473 4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.523 5.384 4.261 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.930 7.835 4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -6.063 9.091 6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.980 3.786 7.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.106 8.402 9.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.082 4.165 10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.657 6.446 10.922 1.00 0.00 H new ATOM 661 N GLN A 129 -10.072 4.864 5.747 1.00 0.00 N ATOM 662 CA GLN A 129 -11.252 5.491 6.329 1.00 0.00 C ATOM 663 C GLN A 129 -12.091 4.469 7.089 1.00 0.00 C ATOM 664 O GLN A 129 -12.669 4.776 8.131 1.00 0.00 O ATOM 665 CB GLN A 129 -12.095 6.154 5.238 1.00 0.00 C ATOM 666 CG GLN A 129 -11.831 7.644 5.088 1.00 0.00 C ATOM 667 CD GLN A 129 -12.511 8.467 6.164 1.00 0.00 C ATOM 668 OE1 GLN A 129 -12.681 8.013 7.295 1.00 0.00 O ATOM 669 NE2 GLN A 129 -12.905 9.687 5.816 1.00 0.00 N ATOM 0 H GLN A 129 -10.126 4.718 4.739 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.918 6.254 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.897 5.660 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.151 6.001 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -10.757 7.824 5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -12.178 7.974 4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.744 10.024 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -13.369 10.287 6.498 1.00 0.00 H new ATOM 678 N ALA A 130 -12.152 3.251 6.560 1.00 0.00 N ATOM 679 CA ALA A 130 -12.920 2.183 7.188 1.00 0.00 C ATOM 680 C ALA A 130 -12.178 1.611 8.393 1.00 0.00 C ATOM 681 O ALA A 130 -12.795 1.168 9.361 1.00 0.00 O ATOM 682 CB ALA A 130 -13.218 1.084 6.180 1.00 0.00 C ATOM 0 H ALA A 130 -11.679 2.980 5.698 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.862 2.604 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.792 0.293 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.794 1.496 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -12.282 0.674 5.802 1.00 0.00 H new ATOM 688 N GLU A 131 -10.851 1.626 8.324 1.00 0.00 N ATOM 689 CA GLU A 131 -10.024 1.109 9.409 1.00 0.00 C ATOM 690 C GLU A 131 -10.220 1.928 10.680 1.00 0.00 C ATOM 691 O GLU A 131 -10.374 1.374 11.769 1.00 0.00 O ATOM 692 CB GLU A 131 -8.549 1.121 9.003 1.00 0.00 C ATOM 693 CG GLU A 131 -8.092 -0.164 8.332 1.00 0.00 C ATOM 694 CD GLU A 131 -8.019 -1.331 9.297 1.00 0.00 C ATOM 695 OE1 GLU A 131 -7.286 -1.226 10.302 1.00 0.00 O ATOM 696 OE2 GLU A 131 -8.697 -2.350 9.048 1.00 0.00 O ATOM 0 H GLU A 131 -10.325 1.990 7.529 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.331 0.082 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.374 1.957 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.938 1.295 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.778 -0.410 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.111 -0.006 7.883 1.00 0.00 H new ATOM 703 N GLY A 132 -10.212 3.249 10.535 1.00 0.00 N ATOM 704 CA GLY A 132 -10.389 4.121 11.681 1.00 0.00 C ATOM 705 C GLY A 132 -9.323 3.913 12.739 1.00 0.00 C ATOM 706 O GLY A 132 -9.596 4.014 13.935 1.00 0.00 O ATOM 0 H GLY A 132 -10.086 3.731 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.370 5.159 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.371 3.944 12.120 1.00 0.00 H new ATOM 710 N LYS A 133 -8.104 3.622 12.297 1.00 0.00 N ATOM 711 CA LYS A 133 -6.990 3.397 13.211 1.00 0.00 C ATOM 712 C LYS A 133 -5.886 4.426 12.983 1.00 0.00 C ATOM 713 O LYS A 133 -6.103 5.451 12.336 1.00 0.00 O ATOM 714 CB LYS A 133 -6.438 1.980 13.032 1.00 0.00 C ATOM 715 CG LYS A 133 -6.489 1.142 14.301 1.00 0.00 C ATOM 716 CD LYS A 133 -5.107 0.654 14.706 1.00 0.00 C ATOM 717 CE LYS A 133 -4.797 -0.706 14.099 1.00 0.00 C ATOM 718 NZ LYS A 133 -3.533 -1.280 14.639 1.00 0.00 N ATOM 0 H LYS A 133 -7.862 3.536 11.310 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.356 3.508 14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -7.004 1.475 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.405 2.042 12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -6.919 1.732 15.110 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.147 0.287 14.147 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -4.356 1.376 14.386 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -5.046 0.591 15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -5.621 -1.390 14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -4.719 -0.611 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -3.357 -2.207 14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -2.742 -0.640 14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -3.616 -1.395 15.669 1.00 0.00 H new ATOM 732 N VAL A 134 -4.701 4.147 13.518 1.00 0.00 N ATOM 733 CA VAL A 134 -3.565 5.046 13.372 1.00 0.00 C ATOM 734 C VAL A 134 -2.312 4.280 12.958 1.00 0.00 C ATOM 735 O VAL A 134 -2.076 3.163 13.417 1.00 0.00 O ATOM 736 CB VAL A 134 -3.274 5.809 14.680 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.362 6.996 14.414 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.570 6.264 15.339 1.00 0.00 C ATOM 0 H VAL A 134 -4.504 3.304 14.057 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.829 5.763 12.595 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.764 5.131 15.365 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.168 7.522 15.349 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.420 6.644 13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.843 7.674 13.709 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.341 6.800 16.260 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -5.111 6.923 14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.186 5.395 15.569 1.00 0.00 H new ATOM 748 N PHE A 135 -1.512 4.889 12.088 1.00 0.00 N ATOM 749 CA PHE A 135 -0.282 4.263 11.612 1.00 0.00 C ATOM 750 C PHE A 135 0.898 5.222 11.734 1.00 0.00 C ATOM 751 O PHE A 135 0.735 6.439 11.637 1.00 0.00 O ATOM 752 CB PHE A 135 -0.438 3.816 10.157 1.00 0.00 C ATOM 753 CG PHE A 135 -1.722 3.084 9.883 1.00 0.00 C ATOM 754 CD1 PHE A 135 -2.186 2.116 10.760 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.464 3.364 8.748 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.367 1.443 10.509 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.644 2.694 8.490 1.00 0.00 C ATOM 758 CZ PHE A 135 -4.096 1.732 9.372 1.00 0.00 C ATOM 0 H PHE A 135 -1.693 5.814 11.698 1.00 0.00 H new ATOM 0 HA PHE A 135 -0.087 3.389 12.234 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -0.384 4.691 9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.401 3.172 9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.618 1.885 11.649 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -2.116 4.116 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.719 0.692 11.201 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -4.212 2.922 7.600 1.00 0.00 H new ATOM 0 HZ PHE A 135 -5.018 1.206 9.173 1.00 0.00 H new ATOM 768 N HIS A 136 2.087 4.665 11.942 1.00 0.00 N ATOM 769 CA HIS A 136 3.296 5.471 12.072 1.00 0.00 C ATOM 770 C HIS A 136 3.855 5.831 10.699 1.00 0.00 C ATOM 771 O HIS A 136 3.288 5.460 9.670 1.00 0.00 O ATOM 772 CB HIS A 136 4.350 4.717 12.887 1.00 0.00 C ATOM 773 CG HIS A 136 4.639 5.345 14.215 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.181 6.605 14.351 1.00 0.00 N ATOM 775 CD2 HIS A 136 4.461 4.877 15.474 1.00 0.00 C ATOM 776 CE1 HIS A 136 5.324 6.886 15.633 1.00 0.00 C ATOM 777 NE2 HIS A 136 4.893 5.854 16.336 1.00 0.00 N ATOM 0 H HIS A 136 2.239 3.660 12.024 1.00 0.00 H new ATOM 0 HA HIS A 136 3.038 6.393 12.593 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.012 3.693 13.044 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.274 4.663 12.311 1.00 0.00 H new ATOM 0 HD2 HIS A 136 4.055 3.915 15.748 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.725 7.803 16.038 1.00 0.00 H new ATOM 0 HE2 HIS A 136 4.883 5.793 17.354 1.00 0.00 H new ATOM 786 N HIS A 137 4.971 6.552 10.688 1.00 0.00 N ATOM 787 CA HIS A 137 5.604 6.957 9.439 1.00 0.00 C ATOM 788 C HIS A 137 6.226 5.756 8.735 1.00 0.00 C ATOM 789 O HIS A 137 6.133 5.621 7.514 1.00 0.00 O ATOM 790 CB HIS A 137 6.674 8.019 9.704 1.00 0.00 C ATOM 791 CG HIS A 137 7.802 7.535 10.561 1.00 0.00 C ATOM 792 ND1 HIS A 137 7.739 7.494 11.938 1.00 0.00 N ATOM 793 CD2 HIS A 137 9.030 7.068 10.229 1.00 0.00 C ATOM 794 CE1 HIS A 137 8.879 7.027 12.415 1.00 0.00 C ATOM 795 NE2 HIS A 137 9.679 6.760 11.399 1.00 0.00 N ATOM 0 H HIS A 137 5.455 6.867 11.529 1.00 0.00 H new ATOM 0 HA HIS A 137 4.837 7.381 8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.075 8.364 8.751 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.208 8.880 10.184 1.00 0.00 H new ATOM 0 HD2 HIS A 137 9.425 6.958 9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 137 9.116 6.887 13.459 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.625 6.386 11.472 1.00 0.00 H new ATOM 804 N VAL A 138 6.857 4.883 9.514 1.00 0.00 N ATOM 805 CA VAL A 138 7.492 3.690 8.967 1.00 0.00 C ATOM 806 C VAL A 138 6.450 2.689 8.482 1.00 0.00 C ATOM 807 O VAL A 138 6.659 1.990 7.491 1.00 0.00 O ATOM 808 CB VAL A 138 8.397 3.007 10.010 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.203 1.889 9.367 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.313 4.025 10.671 1.00 0.00 C ATOM 0 H VAL A 138 6.942 4.980 10.526 1.00 0.00 H new ATOM 0 HA VAL A 138 8.103 4.014 8.124 1.00 0.00 H new ATOM 0 HB VAL A 138 7.765 2.569 10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 138 9.836 1.418 10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.525 1.146 8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 138 9.827 2.300 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 138 9.945 3.524 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 138 9.940 4.496 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 138 8.712 4.786 11.169 1.00 0.00 H new ATOM 820 N GLN A 139 5.325 2.623 9.189 1.00 0.00 N ATOM 821 CA GLN A 139 4.249 1.706 8.831 1.00 0.00 C ATOM 822 C GLN A 139 3.557 2.155 7.548 1.00 0.00 C ATOM 823 O GLN A 139 3.152 1.330 6.729 1.00 0.00 O ATOM 824 CB GLN A 139 3.231 1.612 9.968 1.00 0.00 C ATOM 825 CG GLN A 139 3.821 1.101 11.273 1.00 0.00 C ATOM 826 CD GLN A 139 4.319 -0.327 11.167 1.00 0.00 C ATOM 827 OE1 GLN A 139 5.494 -0.568 10.891 1.00 0.00 O ATOM 828 NE2 GLN A 139 3.424 -1.284 11.385 1.00 0.00 N ATOM 0 H GLN A 139 5.136 3.194 10.013 1.00 0.00 H new ATOM 0 HA GLN A 139 4.685 0.721 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 139 2.796 2.597 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.419 0.952 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 139 4.645 1.748 11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 139 3.066 1.162 12.057 1.00 0.00 H new ATOM 0 HE21 GLN A 139 2.460 -1.039 11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 139 3.701 -2.264 11.326 1.00 0.00 H new ATOM 837 N TRP A 140 3.427 3.465 7.380 1.00 0.00 N ATOM 838 CA TRP A 140 2.785 4.024 6.196 1.00 0.00 C ATOM 839 C TRP A 140 3.630 3.771 4.952 1.00 0.00 C ATOM 840 O TRP A 140 3.116 3.348 3.915 1.00 0.00 O ATOM 841 CB TRP A 140 2.556 5.526 6.373 1.00 0.00 C ATOM 842 CG TRP A 140 1.313 6.020 5.698 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.028 5.870 6.134 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.237 6.741 4.463 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.842 6.456 5.248 1.00 0.00 N ATOM 846 CE2 TRP A 140 -0.125 6.997 4.213 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.187 7.196 3.545 1.00 0.00 C ATOM 848 CZ2 TRP A 140 -0.557 7.687 3.084 1.00 0.00 C ATOM 849 CZ3 TRP A 140 1.756 7.881 2.425 1.00 0.00 C ATOM 850 CH2 TRP A 140 0.395 8.121 2.203 1.00 0.00 C ATOM 0 H TRP A 140 3.758 4.161 8.049 1.00 0.00 H new ATOM 0 HA TRP A 140 1.822 3.530 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.498 5.755 7.437 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.416 6.067 5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -0.262 5.364 7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.857 6.484 5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.239 7.016 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.606 7.873 2.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.482 8.237 1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.090 8.660 1.318 1.00 0.00 H new ATOM 861 N GLN A 141 4.928 4.032 5.062 1.00 0.00 N ATOM 862 CA GLN A 141 5.846 3.832 3.947 1.00 0.00 C ATOM 863 C GLN A 141 5.952 2.354 3.587 1.00 0.00 C ATOM 864 O GLN A 141 5.977 1.991 2.411 1.00 0.00 O ATOM 865 CB GLN A 141 7.230 4.385 4.293 1.00 0.00 C ATOM 866 CG GLN A 141 7.834 3.771 5.545 1.00 0.00 C ATOM 867 CD GLN A 141 9.188 4.361 5.888 1.00 0.00 C ATOM 868 OE1 GLN A 141 10.160 3.634 6.095 1.00 0.00 O ATOM 869 NE2 GLN A 141 9.259 5.685 5.950 1.00 0.00 N ATOM 0 H GLN A 141 5.368 4.383 5.913 1.00 0.00 H new ATOM 0 HA GLN A 141 5.452 4.370 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 141 7.902 4.211 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.158 5.464 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.154 3.921 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.936 2.695 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.428 6.249 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.144 6.138 6.176 1.00 0.00 H new ATOM 878 N GLN A 142 6.016 1.505 4.609 1.00 0.00 N ATOM 879 CA GLN A 142 6.120 0.065 4.401 1.00 0.00 C ATOM 880 C GLN A 142 4.848 -0.488 3.769 1.00 0.00 C ATOM 881 O GLN A 142 4.904 -1.323 2.866 1.00 0.00 O ATOM 882 CB GLN A 142 6.394 -0.643 5.728 1.00 0.00 C ATOM 883 CG GLN A 142 7.837 -0.529 6.193 1.00 0.00 C ATOM 884 CD GLN A 142 8.047 -1.090 7.586 1.00 0.00 C ATOM 885 OE1 GLN A 142 7.096 -1.263 8.348 1.00 0.00 O ATOM 886 NE2 GLN A 142 9.297 -1.379 7.925 1.00 0.00 N ATOM 0 H GLN A 142 5.998 1.790 5.588 1.00 0.00 H new ATOM 0 HA GLN A 142 6.951 -0.119 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 142 5.740 -0.226 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 142 6.136 -1.697 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.484 -1.056 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.138 0.519 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 142 10.055 -1.220 7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 142 9.500 -1.761 8.849 1.00 0.00 H new ATOM 895 N LYS A 143 3.701 -0.018 4.249 1.00 0.00 N ATOM 896 CA LYS A 143 2.415 -0.468 3.729 1.00 0.00 C ATOM 897 C LYS A 143 2.265 -0.105 2.255 1.00 0.00 C ATOM 898 O LYS A 143 1.920 -0.950 1.429 1.00 0.00 O ATOM 899 CB LYS A 143 1.271 0.149 4.537 1.00 0.00 C ATOM 900 CG LYS A 143 0.862 -0.682 5.744 1.00 0.00 C ATOM 901 CD LYS A 143 -0.451 -1.412 5.502 1.00 0.00 C ATOM 902 CE LYS A 143 -1.546 -0.919 6.434 1.00 0.00 C ATOM 903 NZ LYS A 143 -2.176 0.335 5.937 1.00 0.00 N ATOM 0 H LYS A 143 3.636 0.673 4.996 1.00 0.00 H new ATOM 0 HA LYS A 143 2.374 -1.553 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.569 1.142 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 143 0.406 0.280 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 143 1.645 -1.406 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.764 -0.035 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -0.762 -1.269 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -0.305 -2.482 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -2.308 -1.691 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -1.128 -0.747 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.917 0.638 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -1.454 1.080 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.598 0.165 5.002 1.00 0.00 H new ATOM 917 N LEU A 144 2.528 1.157 1.933 1.00 0.00 N ATOM 918 CA LEU A 144 2.423 1.632 0.558 1.00 0.00 C ATOM 919 C LEU A 144 3.475 0.970 -0.329 1.00 0.00 C ATOM 920 O LEU A 144 3.221 0.679 -1.497 1.00 0.00 O ATOM 921 CB LEU A 144 2.580 3.154 0.509 1.00 0.00 C ATOM 922 CG LEU A 144 1.280 3.932 0.287 1.00 0.00 C ATOM 923 CD1 LEU A 144 0.779 4.523 1.595 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.483 5.027 -0.751 1.00 0.00 C ATOM 0 H LEU A 144 2.815 1.869 2.605 1.00 0.00 H new ATOM 0 HA LEU A 144 1.436 1.363 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 144 3.030 3.488 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.278 3.407 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 144 0.526 3.239 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.146 5.072 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.592 3.721 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.531 5.201 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.548 5.569 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.253 5.717 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 144 1.793 4.580 -1.696 1.00 0.00 H new ATOM 936 N ALA A 145 4.655 0.737 0.235 1.00 0.00 N ATOM 937 CA ALA A 145 5.745 0.112 -0.505 1.00 0.00 C ATOM 938 C ALA A 145 5.439 -1.351 -0.806 1.00 0.00 C ATOM 939 O ALA A 145 5.582 -1.805 -1.940 1.00 0.00 O ATOM 940 CB ALA A 145 7.047 0.230 0.273 1.00 0.00 C ATOM 0 H ALA A 145 4.881 0.971 1.202 1.00 0.00 H new ATOM 0 HA ALA A 145 5.852 0.636 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.852 -0.241 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.282 1.282 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.941 -0.267 1.237 1.00 0.00 H new ATOM 946 N ARG A 146 5.016 -2.085 0.219 1.00 0.00 N ATOM 947 CA ARG A 146 4.691 -3.499 0.064 1.00 0.00 C ATOM 948 C ARG A 146 3.520 -3.689 -0.896 1.00 0.00 C ATOM 949 O ARG A 146 3.430 -4.705 -1.585 1.00 0.00 O ATOM 950 CB ARG A 146 4.360 -4.118 1.425 1.00 0.00 C ATOM 951 CG ARG A 146 5.457 -5.023 1.963 1.00 0.00 C ATOM 952 CD ARG A 146 6.481 -4.243 2.772 1.00 0.00 C ATOM 953 NE ARG A 146 7.849 -4.541 2.358 1.00 0.00 N ATOM 954 CZ ARG A 146 8.922 -4.290 3.104 1.00 0.00 C ATOM 955 NH1 ARG A 146 8.790 -3.735 4.303 1.00 0.00 N ATOM 956 NH2 ARG A 146 10.131 -4.594 2.652 1.00 0.00 N ATOM 0 H ARG A 146 4.890 -1.724 1.165 1.00 0.00 H new ATOM 0 HA ARG A 146 5.562 -4.003 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.174 -3.319 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.437 -4.691 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.015 -5.800 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.954 -5.525 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.293 -3.175 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.363 -4.479 3.830 1.00 0.00 H new ATOM 0 HE ARG A 146 7.991 -4.967 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.863 -3.499 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 146 9.616 -3.545 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 146 10.239 -5.021 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 146 10.953 -4.401 3.224 1.00 0.00 H new ATOM 970 N SER A 147 2.626 -2.706 -0.935 1.00 0.00 N ATOM 971 CA SER A 147 1.461 -2.769 -1.810 1.00 0.00 C ATOM 972 C SER A 147 1.860 -2.568 -3.269 1.00 0.00 C ATOM 973 O SER A 147 1.396 -3.287 -4.154 1.00 0.00 O ATOM 974 CB SER A 147 0.433 -1.713 -1.400 1.00 0.00 C ATOM 975 OG SER A 147 -0.257 -2.101 -0.226 1.00 0.00 O ATOM 0 H SER A 147 2.686 -1.858 -0.372 1.00 0.00 H new ATOM 0 HA SER A 147 1.017 -3.759 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.934 -0.759 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.280 -1.561 -2.211 1.00 0.00 H new ATOM 0 HG SER A 147 0.269 -1.848 0.561 1.00 0.00 H new ATOM 981 N LEU A 148 2.720 -1.585 -3.512 1.00 0.00 N ATOM 982 CA LEU A 148 3.179 -1.286 -4.865 1.00 0.00 C ATOM 983 C LEU A 148 4.186 -2.329 -5.343 1.00 0.00 C ATOM 984 O LEU A 148 4.185 -2.716 -6.511 1.00 0.00 O ATOM 985 CB LEU A 148 3.806 0.107 -4.916 1.00 0.00 C ATOM 986 CG LEU A 148 2.877 1.250 -4.504 1.00 0.00 C ATOM 987 CD1 LEU A 148 3.660 2.353 -3.806 1.00 0.00 C ATOM 988 CD2 LEU A 148 2.143 1.800 -5.718 1.00 0.00 C ATOM 0 H LEU A 148 3.114 -0.981 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 148 2.315 -1.313 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.682 0.119 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 148 4.159 0.293 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 148 2.140 0.859 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.981 3.157 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 148 4.140 1.950 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 148 4.420 2.743 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 148 1.486 2.613 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 148 2.867 2.174 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 148 1.550 1.008 -6.174 1.00 0.00 H new ATOM 1000 N GLN A 149 5.043 -2.778 -4.433 1.00 0.00 N ATOM 1001 CA GLN A 149 6.056 -3.773 -4.763 1.00 0.00 C ATOM 1002 C GLN A 149 5.427 -5.149 -4.955 1.00 0.00 C ATOM 1003 O GLN A 149 5.606 -5.786 -5.994 1.00 0.00 O ATOM 1004 CB GLN A 149 7.118 -3.835 -3.664 1.00 0.00 C ATOM 1005 CG GLN A 149 8.519 -4.117 -4.185 1.00 0.00 C ATOM 1006 CD GLN A 149 9.471 -2.960 -3.959 1.00 0.00 C ATOM 1007 OE1 GLN A 149 9.790 -2.615 -2.821 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.933 -2.353 -5.046 1.00 0.00 N ATOM 0 H GLN A 149 5.056 -2.469 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 149 6.528 -3.475 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 149 7.124 -2.889 -3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 149 6.843 -4.610 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 149 8.912 -5.007 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 149 8.468 -4.337 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 149 9.643 -2.672 -5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 149 10.578 -1.568 -4.957 1.00 0.00 H new ATOM 1017 N ILE A 150 4.688 -5.604 -3.947 1.00 0.00 N ATOM 1018 CA ILE A 150 4.033 -6.905 -4.006 1.00 0.00 C ATOM 1019 C ILE A 150 2.836 -6.882 -4.953 1.00 0.00 C ATOM 1020 O ILE A 150 2.377 -7.927 -5.413 1.00 0.00 O ATOM 1021 CB ILE A 150 3.563 -7.362 -2.612 1.00 0.00 C ATOM 1022 CG1 ILE A 150 4.707 -7.253 -1.602 1.00 0.00 C ATOM 1023 CG2 ILE A 150 3.035 -8.789 -2.671 1.00 0.00 C ATOM 1024 CD1 ILE A 150 4.247 -7.281 -0.161 1.00 0.00 C ATOM 0 H ILE A 150 4.528 -5.090 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 150 4.773 -7.611 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 150 2.753 -6.709 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.406 -8.073 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 150 5.253 -6.327 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.707 -9.097 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 150 2.194 -8.837 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 150 3.826 -9.456 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.111 -7.200 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.571 -6.445 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.727 -8.218 0.037 1.00 0.00 H new ATOM 1036 N GLY A 151 2.334 -5.685 -5.239 1.00 0.00 N ATOM 1037 CA GLY A 151 1.196 -5.553 -6.128 1.00 0.00 C ATOM 1038 C GLY A 151 1.581 -5.693 -7.587 1.00 0.00 C ATOM 1039 O GLY A 151 0.919 -6.403 -8.346 1.00 0.00 O ATOM 0 H GLY A 151 2.695 -4.805 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 151 0.453 -6.310 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 151 0.727 -4.582 -5.971 1.00 0.00 H new