USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=8 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 Single : A 88 MET CE :methyl 174:sc=-0.00866 (180deg=-0.0858) USER MOD Single : A 91 MET CE :methyl -134:sc= -0.198 (180deg=-3.07!) 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= 0.101 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 95:sc= 0.0321 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -4.74 K(o=-4.7,f=-4) USER MOD Single : A 137 HIS : no HD1:sc= 0.0753 K(o=0.075,f=-0.5) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.2!) USER MOD Single : A 142 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -162:sc= 0.0786 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 1.900 6.157 17.266 1.00 0.00 N ATOM 2 CA MET A 88 1.507 6.438 15.861 1.00 0.00 C ATOM 3 C MET A 88 0.901 7.832 15.726 1.00 0.00 C ATOM 4 O MET A 88 0.821 8.582 16.699 1.00 0.00 O ATOM 5 CB MET A 88 0.497 5.379 15.416 1.00 0.00 C ATOM 6 CG MET A 88 1.120 4.018 15.155 1.00 0.00 C ATOM 7 SD MET A 88 0.993 2.912 16.573 1.00 0.00 S ATOM 8 CE MET A 88 -0.723 2.413 16.461 1.00 0.00 C ATOM 0 HA MET A 88 2.394 6.402 15.228 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.272 5.277 16.182 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.001 5.722 14.509 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.632 3.558 14.296 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.170 4.148 14.893 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.928 1.645 17.207 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.365 3.275 16.642 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.922 2.015 15.466 1.00 0.00 H new ATOM 20 N PHE A 89 0.475 8.172 14.513 1.00 0.00 N ATOM 21 CA PHE A 89 -0.124 9.475 14.250 1.00 0.00 C ATOM 22 C PHE A 89 -1.352 9.338 13.358 1.00 0.00 C ATOM 23 O PHE A 89 -1.238 9.048 12.166 1.00 0.00 O ATOM 24 CB PHE A 89 0.898 10.407 13.597 1.00 0.00 C ATOM 25 CG PHE A 89 2.043 10.768 14.499 1.00 0.00 C ATOM 26 CD1 PHE A 89 1.841 11.574 15.608 1.00 0.00 C ATOM 27 CD2 PHE A 89 3.322 10.302 14.238 1.00 0.00 C ATOM 28 CE1 PHE A 89 2.893 11.908 16.440 1.00 0.00 C ATOM 29 CE2 PHE A 89 4.378 10.632 15.065 1.00 0.00 C ATOM 30 CZ PHE A 89 4.163 11.437 16.168 1.00 0.00 C ATOM 0 H PHE A 89 0.534 7.563 13.697 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.437 9.903 15.202 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.290 9.930 12.699 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.394 11.320 13.280 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.850 11.945 15.825 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.495 9.673 13.377 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.722 12.536 17.302 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.370 10.262 14.850 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.987 11.697 16.816 1.00 0.00 H new ATOM 40 N ALA A 90 -2.528 9.547 13.941 1.00 0.00 N ATOM 41 CA ALA A 90 -3.780 9.444 13.202 1.00 0.00 C ATOM 42 C ALA A 90 -3.989 10.656 12.298 1.00 0.00 C ATOM 43 O ALA A 90 -4.251 11.760 12.775 1.00 0.00 O ATOM 44 CB ALA A 90 -4.948 9.294 14.163 1.00 0.00 C ATOM 0 H ALA A 90 -2.640 9.789 14.926 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.726 8.558 12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.877 9.218 13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.813 8.393 14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.993 10.163 14.820 1.00 0.00 H new ATOM 50 N MET A 91 -3.872 10.439 10.993 1.00 0.00 N ATOM 51 CA MET A 91 -4.050 11.512 10.021 1.00 0.00 C ATOM 52 C MET A 91 -5.450 11.465 9.411 1.00 0.00 C ATOM 53 O MET A 91 -6.320 10.740 9.892 1.00 0.00 O ATOM 54 CB MET A 91 -2.993 11.410 8.919 1.00 0.00 C ATOM 55 CG MET A 91 -3.141 10.175 8.043 1.00 0.00 C ATOM 56 SD MET A 91 -1.703 9.891 6.993 1.00 0.00 S ATOM 57 CE MET A 91 -1.873 11.230 5.817 1.00 0.00 C ATOM 0 H MET A 91 -3.655 9.530 10.583 1.00 0.00 H new ATOM 0 HA MET A 91 -3.932 12.464 10.539 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.049 12.299 8.291 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.004 11.404 9.376 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.302 9.302 8.676 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.027 10.282 7.417 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.721 10.849 4.807 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.872 11.659 5.896 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.130 11.998 6.031 1.00 0.00 H new ATOM 67 N TYR A 92 -5.658 12.238 8.350 1.00 0.00 N ATOM 68 CA TYR A 92 -6.951 12.278 7.677 1.00 0.00 C ATOM 69 C TYR A 92 -6.820 11.802 6.232 1.00 0.00 C ATOM 70 O TYR A 92 -5.810 12.063 5.579 1.00 0.00 O ATOM 71 CB TYR A 92 -7.522 13.697 7.709 1.00 0.00 C ATOM 72 CG TYR A 92 -6.522 14.764 7.323 1.00 0.00 C ATOM 73 CD1 TYR A 92 -5.644 15.291 8.261 1.00 0.00 C ATOM 74 CD2 TYR A 92 -6.457 15.243 6.019 1.00 0.00 C ATOM 75 CE1 TYR A 92 -4.728 16.266 7.911 1.00 0.00 C ATOM 76 CE2 TYR A 92 -5.544 16.217 5.663 1.00 0.00 C ATOM 77 CZ TYR A 92 -4.682 16.725 6.612 1.00 0.00 C ATOM 78 OH TYR A 92 -3.772 17.695 6.261 1.00 0.00 O ATOM 0 H TYR A 92 -4.949 12.844 7.938 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.632 11.610 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.376 13.751 7.034 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.895 13.907 8.712 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.677 14.934 9.280 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.131 14.848 5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.052 16.666 8.652 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.506 16.579 4.646 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.870 17.906 5.309 1.00 0.00 H new ATOM 88 N PRO A 93 -7.837 11.093 5.707 1.00 0.00 N ATOM 89 CA PRO A 93 -7.824 10.581 4.338 1.00 0.00 C ATOM 90 C PRO A 93 -8.246 11.631 3.310 1.00 0.00 C ATOM 91 O PRO A 93 -8.889 11.307 2.311 1.00 0.00 O ATOM 92 CB PRO A 93 -8.845 9.429 4.369 1.00 0.00 C ATOM 93 CG PRO A 93 -9.412 9.402 5.757 1.00 0.00 C ATOM 94 CD PRO A 93 -9.075 10.721 6.393 1.00 0.00 C ATOM 0 HA PRO A 93 -6.822 10.276 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.632 9.587 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.367 8.480 4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.491 9.251 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.989 8.577 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.862 11.459 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.931 10.628 7.469 1.00 0.00 H new ATOM 102 N ASP A 94 -7.883 12.887 3.555 1.00 0.00 N ATOM 103 CA ASP A 94 -8.227 13.973 2.644 1.00 0.00 C ATOM 104 C ASP A 94 -6.978 14.552 1.980 1.00 0.00 C ATOM 105 O ASP A 94 -6.998 15.676 1.478 1.00 0.00 O ATOM 106 CB ASP A 94 -8.981 15.074 3.394 1.00 0.00 C ATOM 107 CG ASP A 94 -10.271 15.467 2.700 1.00 0.00 C ATOM 108 OD1 ASP A 94 -11.311 14.834 2.978 1.00 0.00 O ATOM 109 OD2 ASP A 94 -10.241 16.406 1.877 1.00 0.00 O ATOM 0 H ASP A 94 -7.351 13.177 4.376 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.870 13.567 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.205 14.734 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.340 15.951 3.487 1.00 0.00 H new ATOM 114 N TRP A 95 -5.894 13.782 1.984 1.00 0.00 N ATOM 115 CA TRP A 95 -4.643 14.221 1.384 1.00 0.00 C ATOM 116 C TRP A 95 -4.680 14.068 -0.133 1.00 0.00 C ATOM 117 O TRP A 95 -5.312 13.151 -0.659 1.00 0.00 O ATOM 118 CB TRP A 95 -3.469 13.426 1.960 1.00 0.00 C ATOM 119 CG TRP A 95 -3.745 11.959 2.096 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.048 11.286 3.244 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.744 10.985 1.046 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.236 9.952 2.973 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.055 9.743 1.631 1.00 0.00 C ATOM 124 CE3 TRP A 95 -3.512 11.043 -0.331 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.138 8.569 0.885 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -3.595 9.877 -1.070 1.00 0.00 C ATOM 127 CH2 TRP A 95 -3.907 8.655 -0.461 1.00 0.00 C ATOM 0 H TRP A 95 -5.859 12.850 2.397 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.509 15.277 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.598 13.565 1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.213 13.831 2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.128 11.736 4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.472 9.235 3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.272 11.981 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.376 7.625 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.416 9.909 -2.135 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.966 7.762 -1.066 1.00 0.00 H new ATOM 138 N GLN A 96 -4.002 14.973 -0.831 1.00 0.00 N ATOM 139 CA GLN A 96 -3.957 14.938 -2.288 1.00 0.00 C ATOM 140 C GLN A 96 -2.582 14.489 -2.780 1.00 0.00 C ATOM 141 O GLN A 96 -1.567 14.753 -2.137 1.00 0.00 O ATOM 142 CB GLN A 96 -4.296 16.317 -2.861 1.00 0.00 C ATOM 143 CG GLN A 96 -5.614 16.355 -3.616 1.00 0.00 C ATOM 144 CD GLN A 96 -5.654 17.452 -4.663 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.204 18.529 -4.428 1.00 0.00 O ATOM 146 NE2 GLN A 96 -5.072 17.184 -5.825 1.00 0.00 N ATOM 0 H GLN A 96 -3.476 15.740 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.697 14.217 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.332 17.041 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.495 16.630 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.781 15.392 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.430 16.503 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.628 16.278 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.068 17.884 -6.567 1.00 0.00 H new ATOM 155 N PRO A 97 -2.533 13.802 -3.935 1.00 0.00 N ATOM 156 CA PRO A 97 -1.276 13.316 -4.511 1.00 0.00 C ATOM 157 C PRO A 97 -0.416 14.449 -5.061 1.00 0.00 C ATOM 158 O PRO A 97 -0.934 15.464 -5.528 1.00 0.00 O ATOM 159 CB PRO A 97 -1.735 12.396 -5.643 1.00 0.00 C ATOM 160 CG PRO A 97 -3.076 12.917 -6.031 1.00 0.00 C ATOM 161 CD PRO A 97 -3.697 13.444 -4.768 1.00 0.00 C ATOM 0 HA PRO A 97 -0.652 12.819 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.041 12.424 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.793 11.359 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.987 13.704 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.689 12.129 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.332 14.308 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.321 12.693 -4.284 1.00 0.00 H new ATOM 169 N ASP A 98 0.900 14.269 -5.002 1.00 0.00 N ATOM 170 CA ASP A 98 1.831 15.276 -5.496 1.00 0.00 C ATOM 171 C ASP A 98 3.194 14.659 -5.792 1.00 0.00 C ATOM 172 O ASP A 98 3.374 13.447 -5.682 1.00 0.00 O ATOM 173 CB ASP A 98 1.981 16.406 -4.475 1.00 0.00 C ATOM 174 CG ASP A 98 2.122 17.765 -5.132 1.00 0.00 C ATOM 175 OD1 ASP A 98 1.098 18.312 -5.590 1.00 0.00 O ATOM 176 OD2 ASP A 98 3.258 18.281 -5.188 1.00 0.00 O ATOM 0 H ASP A 98 1.345 13.436 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 98 1.428 15.684 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.113 16.413 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.854 16.215 -3.851 1.00 0.00 H new ATOM 181 N ALA A 99 4.150 15.503 -6.170 1.00 0.00 N ATOM 182 CA ALA A 99 5.496 15.039 -6.483 1.00 0.00 C ATOM 183 C ALA A 99 6.132 14.348 -5.281 1.00 0.00 C ATOM 184 O ALA A 99 6.950 13.442 -5.436 1.00 0.00 O ATOM 185 CB ALA A 99 6.361 16.204 -6.942 1.00 0.00 C ATOM 0 H ALA A 99 4.017 16.510 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 99 5.425 14.312 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.364 15.844 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.923 16.653 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.417 16.950 -6.149 1.00 0.00 H new ATOM 191 N ASP A 100 5.750 14.781 -4.084 1.00 0.00 N ATOM 192 CA ASP A 100 6.283 14.203 -2.856 1.00 0.00 C ATOM 193 C ASP A 100 5.976 12.711 -2.778 1.00 0.00 C ATOM 194 O ASP A 100 6.741 11.939 -2.200 1.00 0.00 O ATOM 195 CB ASP A 100 5.700 14.919 -1.635 1.00 0.00 C ATOM 196 CG ASP A 100 4.185 14.885 -1.615 1.00 0.00 C ATOM 197 OD1 ASP A 100 3.617 13.779 -1.497 1.00 0.00 O ATOM 198 OD2 ASP A 100 3.566 15.966 -1.715 1.00 0.00 O ATOM 0 H ASP A 100 5.073 15.530 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 100 7.365 14.333 -2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.083 14.454 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.038 15.955 -1.629 1.00 0.00 H new ATOM 203 N PHE A 101 4.853 12.311 -3.365 1.00 0.00 N ATOM 204 CA PHE A 101 4.445 10.911 -3.364 1.00 0.00 C ATOM 205 C PHE A 101 5.497 10.037 -4.040 1.00 0.00 C ATOM 206 O PHE A 101 6.036 9.113 -3.432 1.00 0.00 O ATOM 207 CB PHE A 101 3.097 10.751 -4.068 1.00 0.00 C ATOM 208 CG PHE A 101 2.062 10.051 -3.234 1.00 0.00 C ATOM 209 CD1 PHE A 101 1.786 10.479 -1.945 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.365 8.965 -3.740 1.00 0.00 C ATOM 211 CE1 PHE A 101 0.835 9.837 -1.176 1.00 0.00 C ATOM 212 CE2 PHE A 101 0.413 8.319 -2.975 1.00 0.00 C ATOM 213 CZ PHE A 101 0.147 8.756 -1.691 1.00 0.00 C ATOM 0 H PHE A 101 4.209 12.937 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 101 4.344 10.587 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.722 11.736 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.244 10.194 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.321 11.324 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.568 8.620 -4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.630 10.180 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -0.123 7.473 -3.380 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.597 8.253 -1.092 1.00 0.00 H new ATOM 223 N ILE A 102 5.785 10.337 -5.303 1.00 0.00 N ATOM 224 CA ILE A 102 6.774 9.581 -6.061 1.00 0.00 C ATOM 225 C ILE A 102 8.173 9.779 -5.486 1.00 0.00 C ATOM 226 O ILE A 102 9.002 8.869 -5.517 1.00 0.00 O ATOM 227 CB ILE A 102 6.778 9.988 -7.548 1.00 0.00 C ATOM 228 CG1 ILE A 102 5.359 9.945 -8.118 1.00 0.00 C ATOM 229 CG2 ILE A 102 7.701 9.080 -8.346 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.092 11.013 -9.157 1.00 0.00 C ATOM 0 H ILE A 102 5.347 11.098 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 102 6.496 8.530 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 102 7.150 11.010 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.184 8.965 -8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.645 10.057 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.692 9.382 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.715 9.158 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.358 8.049 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.067 10.922 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.234 11.998 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.782 10.889 -9.992 1.00 0.00 H new ATOM 242 N ARG A 103 8.427 10.973 -4.961 1.00 0.00 N ATOM 243 CA ARG A 103 9.725 11.291 -4.378 1.00 0.00 C ATOM 244 C ARG A 103 10.019 10.385 -3.186 1.00 0.00 C ATOM 245 O ARG A 103 11.056 9.723 -3.138 1.00 0.00 O ATOM 246 CB ARG A 103 9.767 12.759 -3.946 1.00 0.00 C ATOM 247 CG ARG A 103 10.796 13.586 -4.700 1.00 0.00 C ATOM 248 CD ARG A 103 11.910 14.073 -3.784 1.00 0.00 C ATOM 249 NE ARG A 103 13.164 13.364 -4.024 1.00 0.00 N ATOM 250 CZ ARG A 103 14.332 13.723 -3.495 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.409 14.781 -2.697 1.00 0.00 N ATOM 252 NH2 ARG A 103 15.425 13.024 -3.764 1.00 0.00 N ATOM 0 H ARG A 103 7.751 11.736 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 103 10.490 11.123 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.781 13.200 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.984 12.809 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.223 12.989 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.306 14.442 -5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.063 15.142 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.610 13.938 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 103 13.144 12.546 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.571 15.323 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.306 15.052 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.372 12.210 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.319 13.300 -3.358 1.00 0.00 H new ATOM 266 N LEU A 104 9.100 10.359 -2.227 1.00 0.00 N ATOM 267 CA LEU A 104 9.259 9.532 -1.037 1.00 0.00 C ATOM 268 C LEU A 104 9.266 8.052 -1.402 1.00 0.00 C ATOM 269 O LEU A 104 10.075 7.279 -0.888 1.00 0.00 O ATOM 270 CB LEU A 104 8.139 9.818 -0.037 1.00 0.00 C ATOM 271 CG LEU A 104 8.392 11.001 0.901 1.00 0.00 C ATOM 272 CD1 LEU A 104 7.223 11.185 1.859 1.00 0.00 C ATOM 273 CD2 LEU A 104 9.690 10.799 1.671 1.00 0.00 C ATOM 0 H LEU A 104 8.237 10.902 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 104 10.216 9.780 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.218 10.003 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.975 8.925 0.566 1.00 0.00 H new ATOM 0 HG LEU A 104 8.485 11.905 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.422 12.031 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.313 11.374 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.096 10.282 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.856 11.648 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.624 9.885 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.520 10.718 0.970 1.00 0.00 H new ATOM 285 N ALA A 105 8.360 7.663 -2.292 1.00 0.00 N ATOM 286 CA ALA A 105 8.261 6.275 -2.728 1.00 0.00 C ATOM 287 C ALA A 105 9.567 5.806 -3.360 1.00 0.00 C ATOM 288 O ALA A 105 9.960 4.649 -3.208 1.00 0.00 O ATOM 289 CB ALA A 105 7.108 6.109 -3.705 1.00 0.00 C ATOM 0 H ALA A 105 7.683 8.290 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 105 8.069 5.656 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.047 5.068 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.175 6.396 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.274 6.744 -4.575 1.00 0.00 H new ATOM 295 N ALA A 106 10.233 6.710 -4.070 1.00 0.00 N ATOM 296 CA ALA A 106 11.495 6.388 -4.725 1.00 0.00 C ATOM 297 C ALA A 106 12.577 6.071 -3.698 1.00 0.00 C ATOM 298 O ALA A 106 13.348 5.126 -3.864 1.00 0.00 O ATOM 299 CB ALA A 106 11.934 7.536 -5.620 1.00 0.00 C ATOM 0 H ALA A 106 9.920 7.671 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 106 11.342 5.502 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.878 7.281 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.174 7.715 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.065 8.436 -5.019 1.00 0.00 H new ATOM 305 N LEU A 107 12.627 6.868 -2.636 1.00 0.00 N ATOM 306 CA LEU A 107 13.611 6.676 -1.580 1.00 0.00 C ATOM 307 C LEU A 107 13.158 5.586 -0.611 1.00 0.00 C ATOM 308 O LEU A 107 13.981 4.900 -0.004 1.00 0.00 O ATOM 309 CB LEU A 107 13.842 7.993 -0.832 1.00 0.00 C ATOM 310 CG LEU A 107 14.541 7.864 0.522 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.924 7.254 0.354 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.633 9.220 1.205 1.00 0.00 C ATOM 0 H LEU A 107 11.995 7.655 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 107 14.550 6.359 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.434 8.652 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.878 8.479 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 107 13.949 7.201 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.406 7.170 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.833 6.264 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.526 7.890 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 107 15.133 9.110 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.202 9.906 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.630 9.618 1.361 1.00 0.00 H new ATOM 324 N TRP A 108 11.845 5.432 -0.469 1.00 0.00 N ATOM 325 CA TRP A 108 11.284 4.427 0.427 1.00 0.00 C ATOM 326 C TRP A 108 11.555 3.013 -0.087 1.00 0.00 C ATOM 327 O TRP A 108 11.381 2.037 0.644 1.00 0.00 O ATOM 328 CB TRP A 108 9.777 4.642 0.587 1.00 0.00 C ATOM 329 CG TRP A 108 9.429 5.821 1.447 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.292 6.605 2.156 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.119 6.347 1.687 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.599 7.587 2.823 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.263 7.449 2.550 1.00 0.00 C ATOM 334 CE3 TRP A 108 6.836 5.994 1.256 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.175 8.199 2.990 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.758 6.740 1.692 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.933 7.831 2.550 1.00 0.00 C ATOM 0 H TRP A 108 11.149 5.991 -0.963 1.00 0.00 H new ATOM 0 HA TRP A 108 11.769 4.536 1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.331 4.777 -0.398 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.334 3.744 1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.363 6.473 2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 108 10.011 8.301 3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.691 5.153 0.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.307 9.040 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.763 6.476 1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.070 8.394 2.872 1.00 0.00 H new ATOM 348 N GLY A 109 11.979 2.906 -1.343 1.00 0.00 N ATOM 349 CA GLY A 109 12.263 1.603 -1.919 1.00 0.00 C ATOM 350 C GLY A 109 11.237 1.191 -2.957 1.00 0.00 C ATOM 351 O GLY A 109 10.828 0.031 -3.007 1.00 0.00 O ATOM 0 H GLY A 109 12.131 3.696 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.252 1.619 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.292 0.857 -1.125 1.00 0.00 H new ATOM 355 N VAL A 110 10.822 2.142 -3.786 1.00 0.00 N ATOM 356 CA VAL A 110 9.838 1.871 -4.827 1.00 0.00 C ATOM 357 C VAL A 110 10.040 2.792 -6.026 1.00 0.00 C ATOM 358 O VAL A 110 9.801 3.997 -5.944 1.00 0.00 O ATOM 359 CB VAL A 110 8.401 2.041 -4.301 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.393 1.561 -5.335 1.00 0.00 C ATOM 361 CG2 VAL A 110 8.223 1.297 -2.987 1.00 0.00 C ATOM 0 H VAL A 110 11.151 3.107 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 110 9.983 0.836 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 110 8.223 3.101 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.383 1.689 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.505 2.143 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.568 0.507 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.202 1.428 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.420 0.236 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.919 1.693 -2.248 1.00 0.00 H new ATOM 371 N ALA A 111 10.482 2.217 -7.139 1.00 0.00 N ATOM 372 CA ALA A 111 10.716 2.986 -8.355 1.00 0.00 C ATOM 373 C ALA A 111 9.526 2.890 -9.305 1.00 0.00 C ATOM 374 O ALA A 111 9.257 1.832 -9.873 1.00 0.00 O ATOM 375 CB ALA A 111 11.984 2.507 -9.046 1.00 0.00 C ATOM 0 H ALA A 111 10.685 1.221 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 111 10.840 4.032 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.147 3.090 -9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.834 2.634 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.881 1.453 -9.306 1.00 0.00 H new ATOM 381 N LEU A 112 8.818 4.003 -9.472 1.00 0.00 N ATOM 382 CA LEU A 112 7.657 4.045 -10.353 1.00 0.00 C ATOM 383 C LEU A 112 7.931 4.921 -11.571 1.00 0.00 C ATOM 384 O LEU A 112 8.006 6.146 -11.462 1.00 0.00 O ATOM 385 CB LEU A 112 6.434 4.568 -9.597 1.00 0.00 C ATOM 386 CG LEU A 112 5.900 3.637 -8.507 1.00 0.00 C ATOM 387 CD1 LEU A 112 5.218 4.437 -7.409 1.00 0.00 C ATOM 388 CD2 LEU A 112 4.940 2.618 -9.103 1.00 0.00 C ATOM 0 H LEU A 112 9.028 4.887 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 112 7.455 3.030 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.689 5.526 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.636 4.758 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 112 6.741 3.101 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.844 3.758 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.934 5.128 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.386 5.000 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.569 1.963 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.102 3.137 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.461 2.023 -9.854 1.00 0.00 H new ATOM 400 N ARG A 113 8.079 4.288 -12.729 1.00 0.00 N ATOM 401 CA ARG A 113 8.345 5.010 -13.967 1.00 0.00 C ATOM 402 C ARG A 113 7.043 5.437 -14.638 1.00 0.00 C ATOM 403 O ARG A 113 6.950 6.530 -15.197 1.00 0.00 O ATOM 404 CB ARG A 113 9.167 4.141 -14.923 1.00 0.00 C ATOM 405 CG ARG A 113 10.406 4.836 -15.463 1.00 0.00 C ATOM 406 CD ARG A 113 11.402 3.838 -16.031 1.00 0.00 C ATOM 407 NE ARG A 113 12.761 4.374 -16.055 1.00 0.00 N ATOM 408 CZ ARG A 113 13.187 5.276 -16.936 1.00 0.00 C ATOM 409 NH1 ARG A 113 12.365 5.747 -17.865 1.00 0.00 N ATOM 410 NH2 ARG A 113 14.439 5.709 -16.887 1.00 0.00 N ATOM 0 H ARG A 113 8.019 3.275 -12.836 1.00 0.00 H new ATOM 0 HA ARG A 113 8.916 5.906 -13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.468 3.230 -14.405 1.00 0.00 H new ATOM 0 HB3 ARG A 113 8.537 3.839 -15.759 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.118 5.545 -16.239 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.879 5.410 -14.666 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.382 2.926 -15.434 1.00 0.00 H new ATOM 0 HD3 ARG A 113 11.103 3.563 -17.042 1.00 0.00 H new ATOM 0 HE ARG A 113 13.422 4.037 -15.355 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.400 5.418 -17.907 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.698 6.438 -18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.075 5.351 -16.174 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.766 6.400 -17.562 1.00 0.00 H new ATOM 424 N GLU A 114 6.040 4.567 -14.581 1.00 0.00 N ATOM 425 CA GLU A 114 4.743 4.855 -15.182 1.00 0.00 C ATOM 426 C GLU A 114 3.762 5.384 -14.138 1.00 0.00 C ATOM 427 O GLU A 114 3.937 5.159 -12.941 1.00 0.00 O ATOM 428 CB GLU A 114 4.174 3.597 -15.843 1.00 0.00 C ATOM 429 CG GLU A 114 5.048 3.048 -16.959 1.00 0.00 C ATOM 430 CD GLU A 114 4.975 3.883 -18.221 1.00 0.00 C ATOM 431 OE1 GLU A 114 3.861 4.040 -18.765 1.00 0.00 O ATOM 432 OE2 GLU A 114 6.030 4.380 -18.667 1.00 0.00 O ATOM 0 H GLU A 114 6.101 3.657 -14.125 1.00 0.00 H new ATOM 0 HA GLU A 114 4.885 5.624 -15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.041 2.826 -15.084 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.186 3.823 -16.244 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.082 3.003 -16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.743 2.027 -17.186 1.00 0.00 H new ATOM 439 N PRO A 115 2.712 6.095 -14.582 1.00 0.00 N ATOM 440 CA PRO A 115 1.701 6.656 -13.679 1.00 0.00 C ATOM 441 C PRO A 115 1.118 5.606 -12.740 1.00 0.00 C ATOM 442 O PRO A 115 1.064 4.423 -13.073 1.00 0.00 O ATOM 443 CB PRO A 115 0.622 7.179 -14.632 1.00 0.00 C ATOM 444 CG PRO A 115 1.340 7.443 -15.910 1.00 0.00 C ATOM 445 CD PRO A 115 2.428 6.409 -15.995 1.00 0.00 C ATOM 0 HA PRO A 115 2.119 7.422 -13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -0.174 6.447 -14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.157 8.086 -14.244 1.00 0.00 H new ATOM 0 HG2 PRO A 115 0.663 7.368 -16.761 1.00 0.00 H new ATOM 0 HG3 PRO A 115 1.757 8.450 -15.923 1.00 0.00 H new ATOM 0 HD2 PRO A 115 2.101 5.526 -16.545 1.00 0.00 H new ATOM 0 HD3 PRO A 115 3.310 6.795 -16.506 1.00 0.00 H new ATOM 453 N VAL A 116 0.682 6.048 -11.564 1.00 0.00 N ATOM 454 CA VAL A 116 0.103 5.145 -10.578 1.00 0.00 C ATOM 455 C VAL A 116 -1.351 4.824 -10.914 1.00 0.00 C ATOM 456 O VAL A 116 -2.102 5.694 -11.356 1.00 0.00 O ATOM 457 CB VAL A 116 0.175 5.745 -9.158 1.00 0.00 C ATOM 458 CG1 VAL A 116 -0.613 7.043 -9.081 1.00 0.00 C ATOM 459 CG2 VAL A 116 -0.327 4.744 -8.128 1.00 0.00 C ATOM 0 H VAL A 116 0.719 7.025 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 116 0.688 4.226 -10.605 1.00 0.00 H new ATOM 0 HB VAL A 116 1.218 5.970 -8.934 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.549 7.448 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.199 7.762 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.657 6.850 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.268 5.185 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -1.362 4.483 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.289 3.846 -8.163 1.00 0.00 H new ATOM 469 N THR A 117 -1.739 3.571 -10.702 1.00 0.00 N ATOM 470 CA THR A 117 -3.102 3.136 -10.982 1.00 0.00 C ATOM 471 C THR A 117 -4.098 3.834 -10.062 1.00 0.00 C ATOM 472 O THR A 117 -3.783 4.147 -8.913 1.00 0.00 O ATOM 473 CB THR A 117 -3.218 1.619 -10.826 1.00 0.00 C ATOM 474 OG1 THR A 117 -2.205 1.125 -9.966 1.00 0.00 O ATOM 475 CG2 THR A 117 -3.109 0.873 -12.137 1.00 0.00 C ATOM 0 H THR A 117 -1.129 2.839 -10.337 1.00 0.00 H new ATOM 0 HA THR A 117 -3.338 3.406 -12.011 1.00 0.00 H new ATOM 0 HB THR A 117 -4.210 1.446 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.297 0.153 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.199 -0.198 -11.955 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.906 1.196 -12.807 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.143 1.083 -12.596 1.00 0.00 H new ATOM 483 N THR A 118 -5.301 4.076 -10.573 1.00 0.00 N ATOM 484 CA THR A 118 -6.343 4.739 -9.798 1.00 0.00 C ATOM 485 C THR A 118 -6.900 3.811 -8.722 1.00 0.00 C ATOM 486 O THR A 118 -7.171 4.239 -7.600 1.00 0.00 O ATOM 487 CB THR A 118 -7.472 5.205 -10.718 1.00 0.00 C ATOM 488 OG1 THR A 118 -6.971 6.047 -11.740 1.00 0.00 O ATOM 489 CG2 THR A 118 -8.564 5.961 -9.993 1.00 0.00 C ATOM 0 H THR A 118 -5.578 3.823 -11.521 1.00 0.00 H new ATOM 0 HA THR A 118 -5.899 5.606 -9.309 1.00 0.00 H new ATOM 0 HB THR A 118 -7.900 4.292 -11.133 1.00 0.00 H new ATOM 0 HG1 THR A 118 -7.708 6.333 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.332 6.262 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.007 5.319 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.141 6.847 -9.520 1.00 0.00 H new ATOM 497 N GLU A 119 -7.071 2.541 -9.073 1.00 0.00 N ATOM 498 CA GLU A 119 -7.599 1.552 -8.138 1.00 0.00 C ATOM 499 C GLU A 119 -6.743 1.474 -6.878 1.00 0.00 C ATOM 500 O GLU A 119 -7.256 1.258 -5.780 1.00 0.00 O ATOM 501 CB GLU A 119 -7.671 0.177 -8.805 1.00 0.00 C ATOM 502 CG GLU A 119 -6.326 -0.329 -9.301 1.00 0.00 C ATOM 503 CD GLU A 119 -6.414 -0.964 -10.676 1.00 0.00 C ATOM 504 OE1 GLU A 119 -6.827 -2.139 -10.762 1.00 0.00 O ATOM 505 OE2 GLU A 119 -6.069 -0.284 -11.666 1.00 0.00 O ATOM 0 H GLU A 119 -6.852 2.171 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.603 1.864 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.081 -0.541 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.364 0.226 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.619 0.500 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.932 -1.058 -8.593 1.00 0.00 H new ATOM 512 N GLU A 120 -5.436 1.652 -7.044 1.00 0.00 N ATOM 513 CA GLU A 120 -4.510 1.601 -5.918 1.00 0.00 C ATOM 514 C GLU A 120 -4.746 2.769 -4.966 1.00 0.00 C ATOM 515 O GLU A 120 -4.907 2.577 -3.761 1.00 0.00 O ATOM 516 CB GLU A 120 -3.065 1.617 -6.419 1.00 0.00 C ATOM 517 CG GLU A 120 -2.148 0.668 -5.662 1.00 0.00 C ATOM 518 CD GLU A 120 -1.660 -0.482 -6.521 1.00 0.00 C ATOM 519 OE1 GLU A 120 -2.506 -1.161 -7.141 1.00 0.00 O ATOM 520 OE2 GLU A 120 -0.432 -0.706 -6.573 1.00 0.00 O ATOM 0 H GLU A 120 -4.995 1.833 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.688 0.673 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.053 1.354 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.672 2.631 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.290 1.223 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.678 0.270 -4.796 1.00 0.00 H new ATOM 527 N LEU A 121 -4.763 3.979 -5.514 1.00 0.00 N ATOM 528 CA LEU A 121 -4.978 5.178 -4.712 1.00 0.00 C ATOM 529 C LEU A 121 -6.335 5.131 -4.016 1.00 0.00 C ATOM 530 O LEU A 121 -6.431 5.347 -2.808 1.00 0.00 O ATOM 531 CB LEU A 121 -4.884 6.429 -5.590 1.00 0.00 C ATOM 532 CG LEU A 121 -3.508 7.098 -5.616 1.00 0.00 C ATOM 533 CD1 LEU A 121 -2.510 6.240 -6.377 1.00 0.00 C ATOM 534 CD2 LEU A 121 -3.604 8.484 -6.235 1.00 0.00 C ATOM 0 H LEU A 121 -4.631 4.156 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.200 5.219 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.160 6.161 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.618 7.155 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.156 7.202 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.538 6.733 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.421 5.268 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.855 6.103 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.617 8.947 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.978 8.402 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.286 9.098 -5.647 1.00 0.00 H new ATOM 546 N ALA A 122 -7.380 4.846 -4.785 1.00 0.00 N ATOM 547 CA ALA A 122 -8.731 4.770 -4.242 1.00 0.00 C ATOM 548 C ALA A 122 -8.825 3.708 -3.152 1.00 0.00 C ATOM 549 O ALA A 122 -9.511 3.894 -2.147 1.00 0.00 O ATOM 550 CB ALA A 122 -9.731 4.480 -5.351 1.00 0.00 C ATOM 0 H ALA A 122 -7.317 4.664 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 122 -8.971 5.735 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.735 4.426 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.691 5.276 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.484 3.529 -5.824 1.00 0.00 H new ATOM 556 N SER A 123 -8.131 2.593 -3.358 1.00 0.00 N ATOM 557 CA SER A 123 -8.137 1.500 -2.394 1.00 0.00 C ATOM 558 C SER A 123 -7.391 1.891 -1.121 1.00 0.00 C ATOM 559 O SER A 123 -7.725 1.432 -0.029 1.00 0.00 O ATOM 560 CB SER A 123 -7.503 0.249 -3.005 1.00 0.00 C ATOM 561 OG SER A 123 -8.473 -0.541 -3.671 1.00 0.00 O ATOM 0 H SER A 123 -7.557 2.423 -4.184 1.00 0.00 H new ATOM 0 HA SER A 123 -9.174 1.285 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 123 -6.722 0.539 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.025 -0.340 -2.222 1.00 0.00 H new ATOM 0 HG SER A 123 -8.484 -0.311 -4.624 1.00 0.00 H new ATOM 567 N PHE A 124 -6.380 2.741 -1.270 1.00 0.00 N ATOM 568 CA PHE A 124 -5.587 3.192 -0.132 1.00 0.00 C ATOM 569 C PHE A 124 -6.429 4.041 0.816 1.00 0.00 C ATOM 570 O PHE A 124 -6.568 3.719 1.995 1.00 0.00 O ATOM 571 CB PHE A 124 -4.374 3.990 -0.614 1.00 0.00 C ATOM 572 CG PHE A 124 -3.094 3.602 0.069 1.00 0.00 C ATOM 573 CD1 PHE A 124 -2.856 3.965 1.385 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.127 2.874 -0.606 1.00 0.00 C ATOM 575 CE1 PHE A 124 -1.680 3.608 2.015 1.00 0.00 C ATOM 576 CE2 PHE A 124 -0.947 2.515 0.019 1.00 0.00 C ATOM 577 CZ PHE A 124 -0.724 2.883 1.332 1.00 0.00 C ATOM 0 H PHE A 124 -6.091 3.131 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.241 2.312 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.260 3.850 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.558 5.052 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.599 4.534 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.297 2.584 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -1.508 3.896 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -0.201 1.948 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 124 0.197 2.604 1.823 1.00 0.00 H new ATOM 587 N ILE A 125 -6.987 5.128 0.291 1.00 0.00 N ATOM 588 CA ILE A 125 -7.814 6.023 1.091 1.00 0.00 C ATOM 589 C ILE A 125 -9.078 5.316 1.575 1.00 0.00 C ATOM 590 O ILE A 125 -9.612 5.637 2.636 1.00 0.00 O ATOM 591 CB ILE A 125 -8.212 7.283 0.296 1.00 0.00 C ATOM 592 CG1 ILE A 125 -6.969 7.957 -0.289 1.00 0.00 C ATOM 593 CG2 ILE A 125 -8.979 8.254 1.183 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.229 8.673 -1.596 1.00 0.00 C ATOM 0 H ILE A 125 -6.881 5.409 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.217 6.322 1.952 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.862 6.983 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.578 8.671 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.196 7.204 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.252 9.137 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -9.882 7.771 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.353 8.550 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.304 9.127 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.591 7.959 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.979 9.449 -1.443 1.00 0.00 H new ATOM 606 N ALA A 126 -9.550 4.355 0.788 1.00 0.00 N ATOM 607 CA ALA A 126 -10.750 3.604 1.137 1.00 0.00 C ATOM 608 C ALA A 126 -10.530 2.770 2.394 1.00 0.00 C ATOM 609 O ALA A 126 -11.345 2.792 3.316 1.00 0.00 O ATOM 610 CB ALA A 126 -11.171 2.714 -0.023 1.00 0.00 C ATOM 0 H ALA A 126 -9.120 4.078 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.548 4.317 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.068 2.159 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.379 3.330 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.368 2.014 -0.255 1.00 0.00 H new ATOM 616 N TYR A 127 -9.425 2.032 2.423 1.00 0.00 N ATOM 617 CA TYR A 127 -9.099 1.189 3.567 1.00 0.00 C ATOM 618 C TYR A 127 -8.659 2.034 4.759 1.00 0.00 C ATOM 619 O TYR A 127 -8.884 1.664 5.911 1.00 0.00 O ATOM 620 CB TYR A 127 -7.998 0.195 3.198 1.00 0.00 C ATOM 621 CG TYR A 127 -7.930 -1.004 4.118 1.00 0.00 C ATOM 622 CD1 TYR A 127 -8.995 -1.890 4.215 1.00 0.00 C ATOM 623 CD2 TYR A 127 -6.800 -1.248 4.889 1.00 0.00 C ATOM 624 CE1 TYR A 127 -8.936 -2.986 5.056 1.00 0.00 C ATOM 625 CE2 TYR A 127 -6.734 -2.341 5.732 1.00 0.00 C ATOM 626 CZ TYR A 127 -7.804 -3.207 5.811 1.00 0.00 C ATOM 627 OH TYR A 127 -7.743 -4.297 6.648 1.00 0.00 O ATOM 0 H TYR A 127 -8.741 2.001 1.667 1.00 0.00 H new ATOM 0 HA TYR A 127 -9.997 0.638 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.159 -0.150 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.037 0.709 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.883 -1.720 3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.960 -0.572 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.773 -3.666 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -5.849 -2.516 6.326 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.877 -4.309 7.108 1.00 0.00 H new ATOM 637 N TRP A 128 -8.031 3.169 4.472 1.00 0.00 N ATOM 638 CA TRP A 128 -7.559 4.068 5.521 1.00 0.00 C ATOM 639 C TRP A 128 -8.734 4.700 6.261 1.00 0.00 C ATOM 640 O TRP A 128 -8.775 4.706 7.492 1.00 0.00 O ATOM 641 CB TRP A 128 -6.660 5.154 4.919 1.00 0.00 C ATOM 642 CG TRP A 128 -6.302 6.250 5.880 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.257 7.588 5.612 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.935 6.105 7.259 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.887 8.284 6.736 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.685 7.397 7.760 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.796 5.011 8.118 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.303 7.622 9.081 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.416 5.237 9.428 1.00 0.00 C ATOM 650 CH2 TRP A 128 -5.174 6.534 9.898 1.00 0.00 C ATOM 0 H TRP A 128 -7.837 3.489 3.523 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.978 3.488 6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.743 4.691 4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.163 5.591 4.056 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.480 8.034 4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.780 9.296 6.798 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.982 4.007 7.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.115 8.621 9.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -5.304 4.399 10.100 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.879 6.677 10.927 1.00 0.00 H new ATOM 661 N GLN A 129 -9.688 5.231 5.504 1.00 0.00 N ATOM 662 CA GLN A 129 -10.863 5.866 6.090 1.00 0.00 C ATOM 663 C GLN A 129 -11.809 4.822 6.676 1.00 0.00 C ATOM 664 O GLN A 129 -12.504 5.080 7.658 1.00 0.00 O ATOM 665 CB GLN A 129 -11.595 6.703 5.037 1.00 0.00 C ATOM 666 CG GLN A 129 -12.847 7.386 5.565 1.00 0.00 C ATOM 667 CD GLN A 129 -12.887 8.866 5.237 1.00 0.00 C ATOM 668 OE1 GLN A 129 -13.137 9.700 6.107 1.00 0.00 O ATOM 669 NE2 GLN A 129 -12.639 9.200 3.976 1.00 0.00 N ATOM 0 H GLN A 129 -9.671 5.234 4.484 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.529 6.520 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -10.914 7.461 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -11.867 6.061 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.727 6.900 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -12.899 7.256 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.436 8.476 3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -12.651 10.181 3.696 1.00 0.00 H new ATOM 678 N ALA A 130 -11.831 3.641 6.065 1.00 0.00 N ATOM 679 CA ALA A 130 -12.691 2.558 6.527 1.00 0.00 C ATOM 680 C ALA A 130 -12.099 1.869 7.751 1.00 0.00 C ATOM 681 O ALA A 130 -12.827 1.363 8.605 1.00 0.00 O ATOM 682 CB ALA A 130 -12.916 1.551 5.409 1.00 0.00 C ATOM 0 H ALA A 130 -11.263 3.410 5.250 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.651 2.987 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.560 0.748 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.391 2.047 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -11.958 1.136 5.095 1.00 0.00 H new ATOM 688 N GLU A 131 -10.773 1.853 7.830 1.00 0.00 N ATOM 689 CA GLU A 131 -10.082 1.225 8.950 1.00 0.00 C ATOM 690 C GLU A 131 -10.234 2.057 10.220 1.00 0.00 C ATOM 691 O GLU A 131 -10.509 1.522 11.295 1.00 0.00 O ATOM 692 CB GLU A 131 -8.599 1.039 8.624 1.00 0.00 C ATOM 693 CG GLU A 131 -8.302 -0.228 7.839 1.00 0.00 C ATOM 694 CD GLU A 131 -7.549 -1.258 8.657 1.00 0.00 C ATOM 695 OE1 GLU A 131 -8.187 -1.936 9.490 1.00 0.00 O ATOM 696 OE2 GLU A 131 -6.322 -1.387 8.465 1.00 0.00 O ATOM 0 H GLU A 131 -10.155 2.268 7.132 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.535 0.248 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.250 1.900 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -8.031 1.022 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.239 -0.662 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.718 0.026 6.954 1.00 0.00 H new ATOM 703 N GLY A 132 -10.053 3.366 10.090 1.00 0.00 N ATOM 704 CA GLY A 132 -10.173 4.249 11.235 1.00 0.00 C ATOM 705 C GLY A 132 -9.171 3.924 12.325 1.00 0.00 C ATOM 706 O GLY A 132 -9.478 4.028 13.512 1.00 0.00 O ATOM 0 H GLY A 132 -9.825 3.832 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.031 5.280 10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.182 4.178 11.641 1.00 0.00 H new ATOM 710 N LYS A 133 -7.968 3.529 11.921 1.00 0.00 N ATOM 711 CA LYS A 133 -6.916 3.186 12.869 1.00 0.00 C ATOM 712 C LYS A 133 -5.812 4.242 12.857 1.00 0.00 C ATOM 713 O LYS A 133 -6.006 5.350 12.356 1.00 0.00 O ATOM 714 CB LYS A 133 -6.335 1.808 12.537 1.00 0.00 C ATOM 715 CG LYS A 133 -6.322 0.853 13.720 1.00 0.00 C ATOM 716 CD LYS A 133 -7.467 -0.145 13.645 1.00 0.00 C ATOM 717 CE LYS A 133 -7.029 -1.531 14.091 1.00 0.00 C ATOM 718 NZ LYS A 133 -6.838 -2.451 12.936 1.00 0.00 N ATOM 0 H LYS A 133 -7.698 3.439 10.942 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.350 3.155 13.868 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -6.915 1.364 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.317 1.931 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -5.373 0.318 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -6.393 1.421 14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -8.290 0.197 14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -7.843 -0.193 12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -6.098 -1.454 14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -7.775 -1.948 14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -6.540 -3.385 13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.733 -2.544 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -6.108 -2.067 12.303 1.00 0.00 H new ATOM 732 N VAL A 134 -4.657 3.891 13.412 1.00 0.00 N ATOM 733 CA VAL A 134 -3.525 4.807 13.464 1.00 0.00 C ATOM 734 C VAL A 134 -2.239 4.108 13.036 1.00 0.00 C ATOM 735 O VAL A 134 -2.022 2.938 13.355 1.00 0.00 O ATOM 736 CB VAL A 134 -3.333 5.390 14.878 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.444 6.624 14.830 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.676 5.719 15.513 1.00 0.00 C ATOM 0 H VAL A 134 -4.481 2.978 13.832 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.744 5.621 12.774 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.842 4.637 15.495 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.319 7.022 15.837 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.469 6.355 14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.906 7.380 14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.516 6.129 16.510 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -5.199 6.452 14.899 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.276 4.812 15.585 1.00 0.00 H new ATOM 748 N PHE A 135 -1.389 4.829 12.312 1.00 0.00 N ATOM 749 CA PHE A 135 -0.125 4.273 11.841 1.00 0.00 C ATOM 750 C PHE A 135 1.022 5.255 12.063 1.00 0.00 C ATOM 751 O PHE A 135 0.821 6.470 12.059 1.00 0.00 O ATOM 752 CB PHE A 135 -0.218 3.916 10.356 1.00 0.00 C ATOM 753 CG PHE A 135 -1.496 3.219 9.980 1.00 0.00 C ATOM 754 CD1 PHE A 135 -1.950 2.133 10.709 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.240 3.652 8.894 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.123 1.490 10.363 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.414 3.013 8.543 1.00 0.00 C ATOM 758 CZ PHE A 135 -3.857 1.932 9.279 1.00 0.00 C ATOM 0 H PHE A 135 -1.552 5.798 12.039 1.00 0.00 H new ATOM 0 HA PHE A 135 0.076 3.368 12.415 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -0.125 4.828 9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.625 3.278 10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.381 1.784 11.558 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.899 4.498 8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.466 0.643 10.939 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.985 3.359 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.776 1.433 9.008 1.00 0.00 H new ATOM 768 N HIS A 136 2.224 4.720 12.252 1.00 0.00 N ATOM 769 CA HIS A 136 3.404 5.548 12.470 1.00 0.00 C ATOM 770 C HIS A 136 4.039 5.944 11.141 1.00 0.00 C ATOM 771 O HIS A 136 3.475 5.697 10.075 1.00 0.00 O ATOM 772 CB HIS A 136 4.425 4.802 13.335 1.00 0.00 C ATOM 773 CG HIS A 136 4.616 5.407 14.691 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.188 6.646 14.889 1.00 0.00 N ATOM 775 CD2 HIS A 136 4.308 4.936 15.923 1.00 0.00 C ATOM 776 CE1 HIS A 136 5.224 6.910 16.184 1.00 0.00 C ATOM 777 NE2 HIS A 136 4.697 5.889 16.832 1.00 0.00 N ATOM 0 H HIS A 136 2.406 3.716 12.259 1.00 0.00 H new ATOM 0 HA HIS A 136 3.093 6.454 12.990 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.104 3.767 13.450 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.383 4.783 12.816 1.00 0.00 H new ATOM 0 HD2 HIS A 136 3.843 3.988 16.148 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.618 7.809 16.635 1.00 0.00 H new ATOM 0 HE2 HIS A 136 4.595 5.819 17.844 1.00 0.00 H new ATOM 786 N HIS A 137 5.215 6.556 11.212 1.00 0.00 N ATOM 787 CA HIS A 137 5.927 6.982 10.014 1.00 0.00 C ATOM 788 C HIS A 137 6.479 5.779 9.256 1.00 0.00 C ATOM 789 O HIS A 137 6.265 5.639 8.053 1.00 0.00 O ATOM 790 CB HIS A 137 7.066 7.934 10.383 1.00 0.00 C ATOM 791 CG HIS A 137 6.595 9.247 10.926 1.00 0.00 C ATOM 792 ND1 HIS A 137 6.390 10.359 10.137 1.00 0.00 N ATOM 793 CD2 HIS A 137 6.287 9.623 12.191 1.00 0.00 C ATOM 794 CE1 HIS A 137 5.978 11.362 10.892 1.00 0.00 C ATOM 795 NE2 HIS A 137 5.906 10.941 12.142 1.00 0.00 N ATOM 0 H HIS A 137 5.695 6.768 12.086 1.00 0.00 H new ATOM 0 HA HIS A 137 5.222 7.505 9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.706 7.453 11.122 1.00 0.00 H new ATOM 0 HB3 HIS A 137 7.679 8.114 9.500 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.333 9.002 13.073 1.00 0.00 H new ATOM 0 HE1 HIS A 137 5.740 12.357 10.546 1.00 0.00 H new ATOM 0 HE2 HIS A 137 5.615 11.504 12.941 1.00 0.00 H new ATOM 804 N VAL A 138 7.190 4.913 9.972 1.00 0.00 N ATOM 805 CA VAL A 138 7.773 3.721 9.369 1.00 0.00 C ATOM 806 C VAL A 138 6.691 2.794 8.827 1.00 0.00 C ATOM 807 O VAL A 138 6.854 2.183 7.771 1.00 0.00 O ATOM 808 CB VAL A 138 8.639 2.946 10.381 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.364 1.796 9.697 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.629 3.877 11.064 1.00 0.00 C ATOM 0 H VAL A 138 7.376 5.015 10.970 1.00 0.00 H new ATOM 0 HA VAL A 138 8.403 4.058 8.546 1.00 0.00 H new ATOM 0 HB VAL A 138 7.982 2.529 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 138 9.970 1.261 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.634 1.113 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 138 10.008 2.189 8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.231 3.310 11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.280 4.328 10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 138 9.086 4.661 11.592 1.00 0.00 H new ATOM 820 N GLN A 139 5.584 2.696 9.557 1.00 0.00 N ATOM 821 CA GLN A 139 4.474 1.844 9.149 1.00 0.00 C ATOM 822 C GLN A 139 3.837 2.360 7.863 1.00 0.00 C ATOM 823 O GLN A 139 3.336 1.582 7.052 1.00 0.00 O ATOM 824 CB GLN A 139 3.425 1.772 10.259 1.00 0.00 C ATOM 825 CG GLN A 139 3.984 1.318 11.597 1.00 0.00 C ATOM 826 CD GLN A 139 3.202 0.165 12.196 1.00 0.00 C ATOM 827 OE1 GLN A 139 2.154 0.363 12.811 1.00 0.00 O ATOM 828 NE2 GLN A 139 3.709 -1.050 12.018 1.00 0.00 N ATOM 0 H GLN A 139 5.433 3.196 10.433 1.00 0.00 H new ATOM 0 HA GLN A 139 4.865 0.844 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 139 2.969 2.754 10.380 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.633 1.088 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 139 5.024 1.019 11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 139 3.977 2.157 12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 139 4.581 -1.168 11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 139 3.227 -1.865 12.398 1.00 0.00 H new ATOM 837 N TRP A 140 3.859 3.677 7.686 1.00 0.00 N ATOM 838 CA TRP A 140 3.283 4.298 6.499 1.00 0.00 C ATOM 839 C TRP A 140 4.152 4.042 5.272 1.00 0.00 C ATOM 840 O TRP A 140 3.643 3.799 4.179 1.00 0.00 O ATOM 841 CB TRP A 140 3.118 5.804 6.716 1.00 0.00 C ATOM 842 CG TRP A 140 1.936 6.379 5.996 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.643 6.399 6.431 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.940 7.018 4.714 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.159 7.012 5.498 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.614 7.400 4.435 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.936 7.305 3.776 1.00 0.00 C ATOM 848 CZ2 TRP A 140 0.260 8.052 3.257 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.583 7.952 2.607 1.00 0.00 C ATOM 850 CH2 TRP A 140 1.255 8.321 2.357 1.00 0.00 C ATOM 0 H TRP A 140 4.269 4.334 8.349 1.00 0.00 H new ATOM 0 HA TRP A 140 2.304 3.852 6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 140 3.016 6.002 7.783 1.00 0.00 H new ATOM 0 HB3 TRP A 140 4.022 6.314 6.382 1.00 0.00 H new ATOM 0 HD1 TRP A 140 0.300 5.993 7.371 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.165 7.155 5.583 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.963 7.026 3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.763 8.335 3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.344 8.177 1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.011 8.828 1.435 1.00 0.00 H new ATOM 861 N GLN A 141 5.465 4.101 5.463 1.00 0.00 N ATOM 862 CA GLN A 141 6.407 3.878 4.372 1.00 0.00 C ATOM 863 C GLN A 141 6.287 2.458 3.825 1.00 0.00 C ATOM 864 O GLN A 141 6.181 2.255 2.616 1.00 0.00 O ATOM 865 CB GLN A 141 7.839 4.134 4.845 1.00 0.00 C ATOM 866 CG GLN A 141 8.032 5.501 5.484 1.00 0.00 C ATOM 867 CD GLN A 141 9.185 5.527 6.469 1.00 0.00 C ATOM 868 OE1 GLN A 141 9.747 4.487 6.812 1.00 0.00 O ATOM 869 NE2 GLN A 141 9.543 6.721 6.927 1.00 0.00 N ATOM 0 H GLN A 141 5.902 4.301 6.363 1.00 0.00 H new ATOM 0 HA GLN A 141 6.164 4.577 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.119 3.363 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.516 4.040 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 141 8.209 6.241 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.115 5.791 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 141 9.048 7.556 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.313 6.803 7.591 1.00 0.00 H new ATOM 878 N GLN A 142 6.308 1.479 4.724 1.00 0.00 N ATOM 879 CA GLN A 142 6.205 0.078 4.332 1.00 0.00 C ATOM 880 C GLN A 142 4.828 -0.232 3.753 1.00 0.00 C ATOM 881 O GLN A 142 4.697 -1.053 2.845 1.00 0.00 O ATOM 882 CB GLN A 142 6.485 -0.831 5.531 1.00 0.00 C ATOM 883 CG GLN A 142 5.561 -0.582 6.712 1.00 0.00 C ATOM 884 CD GLN A 142 4.343 -1.485 6.701 1.00 0.00 C ATOM 885 OE1 GLN A 142 4.061 -2.153 5.707 1.00 0.00 O ATOM 886 NE2 GLN A 142 3.613 -1.507 7.811 1.00 0.00 N ATOM 0 H GLN A 142 6.395 1.630 5.729 1.00 0.00 H new ATOM 0 HA GLN A 142 6.951 -0.110 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 142 6.389 -1.871 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 142 7.517 -0.688 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 142 6.113 -0.735 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 142 5.237 0.459 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 142 3.885 -0.936 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 142 2.781 -2.095 7.863 1.00 0.00 H new ATOM 895 N LYS A 143 3.803 0.427 4.284 1.00 0.00 N ATOM 896 CA LYS A 143 2.436 0.216 3.818 1.00 0.00 C ATOM 897 C LYS A 143 2.286 0.633 2.358 1.00 0.00 C ATOM 898 O LYS A 143 1.832 -0.149 1.523 1.00 0.00 O ATOM 899 CB LYS A 143 1.451 0.999 4.690 1.00 0.00 C ATOM 900 CG LYS A 143 0.657 0.121 5.646 1.00 0.00 C ATOM 901 CD LYS A 143 0.773 0.607 7.082 1.00 0.00 C ATOM 902 CE LYS A 143 -0.489 0.305 7.875 1.00 0.00 C ATOM 903 NZ LYS A 143 -0.358 -0.945 8.672 1.00 0.00 N ATOM 0 H LYS A 143 3.892 1.110 5.036 1.00 0.00 H new ATOM 0 HA LYS A 143 2.213 -0.848 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 143 2.000 1.745 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 143 0.758 1.540 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -0.391 0.113 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 143 1.015 -0.906 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 143 1.628 0.130 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 143 0.961 1.681 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -0.707 1.139 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -1.334 0.213 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -1.239 -1.115 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -0.175 -1.746 8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 0.432 -0.849 9.342 1.00 0.00 H new ATOM 917 N LEU A 144 2.667 1.870 2.057 1.00 0.00 N ATOM 918 CA LEU A 144 2.572 2.389 0.698 1.00 0.00 C ATOM 919 C LEU A 144 3.453 1.590 -0.258 1.00 0.00 C ATOM 920 O LEU A 144 3.103 1.395 -1.422 1.00 0.00 O ATOM 921 CB LEU A 144 2.968 3.868 0.666 1.00 0.00 C ATOM 922 CG LEU A 144 2.015 4.775 -0.117 1.00 0.00 C ATOM 923 CD1 LEU A 144 1.189 5.632 0.831 1.00 0.00 C ATOM 924 CD2 LEU A 144 2.789 5.651 -1.092 1.00 0.00 C ATOM 0 H LEU A 144 3.044 2.531 2.736 1.00 0.00 H new ATOM 0 HA LEU A 144 1.537 2.290 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 144 3.034 4.233 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.965 3.953 0.233 1.00 0.00 H new ATOM 0 HG LEU A 144 1.335 4.143 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.518 6.269 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.603 4.988 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 144 1.853 6.254 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 144 2.094 6.288 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 144 3.495 6.273 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 144 3.333 5.020 -1.795 1.00 0.00 H new ATOM 936 N ALA A 145 4.597 1.131 0.239 1.00 0.00 N ATOM 937 CA ALA A 145 5.525 0.355 -0.574 1.00 0.00 C ATOM 938 C ALA A 145 4.980 -1.041 -0.854 1.00 0.00 C ATOM 939 O ALA A 145 4.785 -1.422 -2.010 1.00 0.00 O ATOM 940 CB ALA A 145 6.880 0.267 0.113 1.00 0.00 C ATOM 0 H ALA A 145 4.903 1.283 1.200 1.00 0.00 H new ATOM 0 HA ALA A 145 5.645 0.866 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.564 -0.315 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.283 1.270 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.765 -0.217 1.083 1.00 0.00 H new ATOM 946 N ARG A 146 4.736 -1.802 0.207 1.00 0.00 N ATOM 947 CA ARG A 146 4.215 -3.158 0.074 1.00 0.00 C ATOM 948 C ARG A 146 2.876 -3.161 -0.658 1.00 0.00 C ATOM 949 O ARG A 146 2.534 -4.127 -1.341 1.00 0.00 O ATOM 950 CB ARG A 146 4.056 -3.802 1.453 1.00 0.00 C ATOM 951 CG ARG A 146 5.276 -4.594 1.900 1.00 0.00 C ATOM 952 CD ARG A 146 5.060 -6.089 1.734 1.00 0.00 C ATOM 953 NE ARG A 146 4.756 -6.449 0.351 1.00 0.00 N ATOM 954 CZ ARG A 146 5.675 -6.559 -0.605 1.00 0.00 C ATOM 955 NH1 ARG A 146 6.956 -6.341 -0.332 1.00 0.00 N ATOM 956 NH2 ARG A 146 5.313 -6.889 -1.837 1.00 0.00 N ATOM 0 H ARG A 146 4.891 -1.503 1.170 1.00 0.00 H new ATOM 0 HA ARG A 146 4.929 -3.737 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 146 3.850 -3.023 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.189 -4.463 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 146 6.145 -4.284 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.494 -4.370 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.953 -6.622 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 146 4.243 -6.411 2.380 1.00 0.00 H new ATOM 0 HE ARG A 146 3.782 -6.626 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.240 -6.088 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 146 7.656 -6.427 -1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 146 4.330 -7.058 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 146 6.017 -6.973 -2.570 1.00 0.00 H new ATOM 970 N SER A 147 2.123 -2.077 -0.512 1.00 0.00 N ATOM 971 CA SER A 147 0.820 -1.959 -1.159 1.00 0.00 C ATOM 972 C SER A 147 0.971 -1.809 -2.669 1.00 0.00 C ATOM 973 O SER A 147 0.303 -2.500 -3.440 1.00 0.00 O ATOM 974 CB SER A 147 0.053 -0.761 -0.592 1.00 0.00 C ATOM 975 OG SER A 147 -1.250 -0.685 -1.142 1.00 0.00 O ATOM 0 H SER A 147 2.391 -1.268 0.048 1.00 0.00 H new ATOM 0 HA SER A 147 0.260 -2.872 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.011 -0.846 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.597 0.159 -0.808 1.00 0.00 H new ATOM 0 HG SER A 147 -1.615 0.213 -0.996 1.00 0.00 H new ATOM 981 N LEU A 148 1.849 -0.904 -3.086 1.00 0.00 N ATOM 982 CA LEU A 148 2.085 -0.664 -4.505 1.00 0.00 C ATOM 983 C LEU A 148 2.739 -1.876 -5.163 1.00 0.00 C ATOM 984 O LEU A 148 2.546 -2.128 -6.352 1.00 0.00 O ATOM 985 CB LEU A 148 2.966 0.572 -4.696 1.00 0.00 C ATOM 986 CG LEU A 148 2.205 1.887 -4.876 1.00 0.00 C ATOM 987 CD1 LEU A 148 1.425 1.878 -6.181 1.00 0.00 C ATOM 988 CD2 LEU A 148 1.273 2.128 -3.697 1.00 0.00 C ATOM 0 H LEU A 148 2.409 -0.324 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 148 1.120 -0.491 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.625 0.666 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.602 0.415 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 148 2.928 2.701 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.890 2.821 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 148 2.114 1.751 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 148 0.711 1.055 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.739 3.068 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.556 1.310 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 148 1.856 2.179 -2.777 1.00 0.00 H new ATOM 1000 N GLN A 149 3.514 -2.623 -4.383 1.00 0.00 N ATOM 1001 CA GLN A 149 4.197 -3.806 -4.893 1.00 0.00 C ATOM 1002 C GLN A 149 3.207 -4.939 -5.152 1.00 0.00 C ATOM 1003 O GLN A 149 3.105 -5.443 -6.269 1.00 0.00 O ATOM 1004 CB GLN A 149 5.269 -4.266 -3.903 1.00 0.00 C ATOM 1005 CG GLN A 149 6.647 -3.694 -4.192 1.00 0.00 C ATOM 1006 CD GLN A 149 7.760 -4.522 -3.580 1.00 0.00 C ATOM 1007 OE1 GLN A 149 7.937 -5.692 -3.920 1.00 0.00 O ATOM 1008 NE2 GLN A 149 8.518 -3.917 -2.673 1.00 0.00 N ATOM 0 H GLN A 149 3.684 -2.430 -3.396 1.00 0.00 H new ATOM 0 HA GLN A 149 4.672 -3.542 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 149 4.969 -3.978 -2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 149 5.325 -5.354 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 149 6.793 -3.635 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 149 6.702 -2.676 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 149 8.335 -2.946 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 149 9.283 -4.424 -2.228 1.00 0.00 H new ATOM 1017 N ILE A 150 2.482 -5.335 -4.110 1.00 0.00 N ATOM 1018 CA ILE A 150 1.504 -6.410 -4.223 1.00 0.00 C ATOM 1019 C ILE A 150 0.414 -6.065 -5.231 1.00 0.00 C ATOM 1020 O ILE A 150 -0.177 -6.949 -5.851 1.00 0.00 O ATOM 1021 CB ILE A 150 0.849 -6.720 -2.864 1.00 0.00 C ATOM 1022 CG1 ILE A 150 0.297 -5.439 -2.233 1.00 0.00 C ATOM 1023 CG2 ILE A 150 1.850 -7.390 -1.935 1.00 0.00 C ATOM 1024 CD1 ILE A 150 -1.210 -5.330 -2.309 1.00 0.00 C ATOM 0 H ILE A 150 2.554 -4.927 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 150 2.046 -7.291 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 150 0.018 -7.407 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.604 -5.397 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.741 -4.577 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 150 1.373 -7.603 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 150 2.196 -8.321 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.700 -6.726 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -1.531 -4.399 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -1.523 -5.341 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -1.663 -6.172 -1.786 1.00 0.00 H new ATOM 1036 N GLY A 151 0.155 -4.776 -5.385 1.00 0.00 N ATOM 1037 CA GLY A 151 -0.864 -4.328 -6.316 1.00 0.00 C ATOM 1038 C GLY A 151 -0.441 -4.490 -7.762 1.00 0.00 C ATOM 1039 O GLY A 151 -1.168 -5.072 -8.567 1.00 0.00 O ATOM 0 H GLY A 151 0.633 -4.029 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -1.781 -4.891 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.092 -3.280 -6.123 1.00 0.00 H new