USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 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 47 THR OG1 : rot -128:sc= -4.09! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -16.4! C(o=-21!,f=-21!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -59:sc= -3.94! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 83:sc= -3.08! USER MOD Single : A 35 ASN : amide:sc= -0.279 K(o=-0.28,f=-1) USER MOD Single : A 37 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.538 (180deg=-0.894) USER MOD Single : A 53 SER OG : rot -106:sc= -1.3 USER MOD Single : A 57 MET CE :methyl -114:sc= -4.57! (180deg=-5.61!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0546 F(o=-0.56,f=-0.055) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -154:sc= -0.93 (180deg=-2.56) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.32) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0577 K(o=-0.058,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 101 TYR OH : rot 130:sc= -0.0841 USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -0.101 (180deg=-1.16) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.12) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -8.333 -14.957 -12.226 1.00 0.00 N ATOM 38 CA ARG A 3 -8.596 -13.766 -11.370 1.00 0.00 C ATOM 39 C ARG A 3 -7.266 -13.170 -10.899 1.00 0.00 C ATOM 40 O ARG A 3 -6.235 -13.812 -10.951 1.00 0.00 O ATOM 41 CB ARG A 3 -9.425 -14.187 -10.154 1.00 0.00 C ATOM 42 CG ARG A 3 -10.689 -13.326 -10.071 1.00 0.00 C ATOM 43 CD ARG A 3 -11.866 -14.191 -9.620 1.00 0.00 C ATOM 44 NE ARG A 3 -12.304 -15.063 -10.747 1.00 0.00 N ATOM 45 CZ ARG A 3 -12.787 -16.252 -10.501 1.00 0.00 C ATOM 46 NH1 ARG A 3 -13.169 -16.563 -9.293 1.00 0.00 N ATOM 47 NH2 ARG A 3 -12.892 -17.125 -11.465 1.00 0.00 N ATOM 0 HA ARG A 3 -9.144 -13.020 -11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.695 -15.240 -10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.836 -14.075 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.537 -12.505 -9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.903 -12.880 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.575 -14.802 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.692 -13.559 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.227 -14.732 -11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.091 -15.878 -8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.546 -17.491 -9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.597 -16.879 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.269 -18.053 -11.274 1.00 0.00 H new ATOM 61 N GLY A 4 -7.281 -11.947 -10.440 1.00 0.00 N ATOM 62 CA GLY A 4 -6.018 -11.312 -9.965 1.00 0.00 C ATOM 63 C GLY A 4 -6.346 -10.242 -8.922 1.00 0.00 C ATOM 64 O GLY A 4 -7.367 -9.588 -8.991 1.00 0.00 O ATOM 0 H GLY A 4 -8.113 -11.361 -10.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.359 -12.066 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.485 -10.866 -10.804 1.00 0.00 H new ATOM 68 N ILE A 5 -5.490 -10.061 -7.952 1.00 0.00 N ATOM 69 CA ILE A 5 -5.758 -9.034 -6.902 1.00 0.00 C ATOM 70 C ILE A 5 -4.860 -7.818 -7.120 1.00 0.00 C ATOM 71 O ILE A 5 -3.651 -7.889 -6.972 1.00 0.00 O ATOM 72 CB ILE A 5 -5.467 -9.628 -5.528 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.416 -10.800 -5.263 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.669 -8.553 -4.459 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.617 -12.103 -5.177 1.00 0.00 C ATOM 0 H ILE A 5 -4.618 -10.579 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.802 -8.728 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.438 -9.985 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.962 -10.635 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.156 -10.868 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.462 -8.975 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.991 -7.721 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.699 -8.197 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.296 -12.934 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.091 -12.270 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.894 -12.033 -4.364 1.00 0.00 H new ATOM 87 N VAL A 6 -5.442 -6.702 -7.470 1.00 0.00 N ATOM 88 CA VAL A 6 -4.639 -5.474 -7.703 1.00 0.00 C ATOM 89 C VAL A 6 -4.820 -4.497 -6.531 1.00 0.00 C ATOM 90 O VAL A 6 -5.919 -4.063 -6.238 1.00 0.00 O ATOM 91 CB VAL A 6 -5.112 -4.823 -9.006 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.362 -3.971 -8.757 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.998 -3.936 -9.565 1.00 0.00 C ATOM 0 H VAL A 6 -6.447 -6.591 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.582 -5.730 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.357 -5.608 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.685 -3.516 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.160 -4.602 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.131 -3.189 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.333 -3.472 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.752 -3.161 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.114 -4.543 -9.762 1.00 0.00 H new ATOM 103 N TRP A 7 -3.756 -4.144 -5.857 1.00 0.00 N ATOM 104 CA TRP A 7 -3.888 -3.191 -4.716 1.00 0.00 C ATOM 105 C TRP A 7 -3.455 -1.795 -5.175 1.00 0.00 C ATOM 106 O TRP A 7 -2.286 -1.530 -5.357 1.00 0.00 O ATOM 107 CB TRP A 7 -3.009 -3.646 -3.548 1.00 0.00 C ATOM 108 CG TRP A 7 -3.886 -4.020 -2.396 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.834 -3.221 -1.854 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.919 -5.265 -1.641 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.448 -3.897 -0.817 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.920 -5.161 -0.647 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.187 -6.462 -1.721 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.188 -6.207 0.235 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.453 -7.519 -0.835 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.452 -7.391 0.141 1.00 0.00 C ATOM 0 H TRP A 7 -2.809 -4.472 -6.046 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.926 -3.164 -4.385 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.397 -4.497 -3.847 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.326 -2.848 -3.258 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.072 -2.219 -2.179 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.200 -3.509 -0.247 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.415 -6.570 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.958 -6.103 0.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.885 -8.435 -0.906 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.652 -8.207 0.819 1.00 0.00 H new ATOM 127 N VAL A 8 -4.390 -0.904 -5.377 1.00 0.00 N ATOM 128 CA VAL A 8 -4.029 0.468 -5.839 1.00 0.00 C ATOM 129 C VAL A 8 -3.738 1.370 -4.636 1.00 0.00 C ATOM 130 O VAL A 8 -4.333 1.234 -3.585 1.00 0.00 O ATOM 131 CB VAL A 8 -5.190 1.047 -6.655 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.976 2.547 -6.867 1.00 0.00 C ATOM 133 CG2 VAL A 8 -5.254 0.349 -8.015 1.00 0.00 C ATOM 0 H VAL A 8 -5.388 -1.067 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.135 0.416 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.123 0.887 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.804 2.954 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.930 3.048 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.042 2.709 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.079 0.760 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.318 0.509 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.410 -0.720 -7.868 1.00 0.00 H new ATOM 143 N VAL A 9 -2.819 2.290 -4.784 1.00 0.00 N ATOM 144 CA VAL A 9 -2.480 3.197 -3.651 1.00 0.00 C ATOM 145 C VAL A 9 -3.193 4.541 -3.822 1.00 0.00 C ATOM 146 O VAL A 9 -2.702 5.438 -4.490 1.00 0.00 O ATOM 147 CB VAL A 9 -0.967 3.420 -3.601 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.644 4.644 -2.738 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.293 2.189 -2.995 1.00 0.00 C ATOM 0 H VAL A 9 -2.290 2.451 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.808 2.736 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.599 3.586 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.435 4.794 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.122 5.526 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.016 4.484 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.785 2.345 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.671 2.027 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.512 1.315 -3.609 1.00 0.00 H new ATOM 159 N ASP A 10 -4.328 4.671 -3.183 1.00 0.00 N ATOM 160 CA ASP A 10 -5.127 5.922 -3.212 1.00 0.00 C ATOM 161 C ASP A 10 -4.983 6.685 -4.533 1.00 0.00 C ATOM 162 O ASP A 10 -4.613 6.139 -5.547 1.00 0.00 O ATOM 163 CB ASP A 10 -4.681 6.798 -2.039 1.00 0.00 C ATOM 164 CG ASP A 10 -3.501 7.689 -2.448 1.00 0.00 C ATOM 165 OD1 ASP A 10 -2.418 7.156 -2.627 1.00 0.00 O ATOM 166 OD2 ASP A 10 -3.702 8.885 -2.575 1.00 0.00 O ATOM 0 H ASP A 10 -4.744 3.928 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.182 5.662 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.513 7.418 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.394 6.169 -1.197 1.00 0.00 H new ATOM 171 N ASP A 11 -5.309 7.956 -4.488 1.00 0.00 N ATOM 172 CA ASP A 11 -5.248 8.852 -5.680 1.00 0.00 C ATOM 173 C ASP A 11 -6.283 9.962 -5.481 1.00 0.00 C ATOM 174 O ASP A 11 -6.161 11.051 -6.005 1.00 0.00 O ATOM 175 CB ASP A 11 -5.582 8.076 -6.953 1.00 0.00 C ATOM 176 CG ASP A 11 -5.543 9.022 -8.155 1.00 0.00 C ATOM 177 OD1 ASP A 11 -6.202 10.047 -8.101 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.852 8.706 -9.110 1.00 0.00 O ATOM 0 H ASP A 11 -5.627 8.423 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.244 9.263 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.869 7.263 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.569 7.622 -6.866 1.00 0.00 H new ATOM 183 N ASP A 12 -7.301 9.681 -4.711 1.00 0.00 N ATOM 184 CA ASP A 12 -8.360 10.697 -4.449 1.00 0.00 C ATOM 185 C ASP A 12 -9.445 10.070 -3.569 1.00 0.00 C ATOM 186 O ASP A 12 -9.723 8.891 -3.661 1.00 0.00 O ATOM 187 CB ASP A 12 -8.973 11.155 -5.774 1.00 0.00 C ATOM 188 CG ASP A 12 -8.536 12.591 -6.068 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.503 13.381 -5.140 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.242 12.877 -7.217 1.00 0.00 O ATOM 0 H ASP A 12 -7.444 8.783 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.926 11.558 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.656 10.495 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.060 11.097 -5.723 1.00 0.00 H new ATOM 195 N SER A 13 -10.056 10.843 -2.714 1.00 0.00 N ATOM 196 CA SER A 13 -11.117 10.282 -1.828 1.00 0.00 C ATOM 197 C SER A 13 -12.061 9.399 -2.648 1.00 0.00 C ATOM 198 O SER A 13 -12.468 9.756 -3.736 1.00 0.00 O ATOM 199 CB SER A 13 -11.910 11.425 -1.193 1.00 0.00 C ATOM 200 OG SER A 13 -13.113 10.911 -0.637 1.00 0.00 O ATOM 0 H SER A 13 -9.867 11.838 -2.590 1.00 0.00 H new ATOM 0 HA SER A 13 -10.652 9.683 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.315 11.909 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.137 12.185 -1.941 1.00 0.00 H new ATOM 0 HG SER A 13 -13.623 11.641 -0.228 1.00 0.00 H new ATOM 206 N SER A 14 -12.412 8.247 -2.135 1.00 0.00 N ATOM 207 CA SER A 14 -13.328 7.340 -2.886 1.00 0.00 C ATOM 208 C SER A 14 -12.544 6.629 -3.989 1.00 0.00 C ATOM 209 O SER A 14 -13.059 6.365 -5.054 1.00 0.00 O ATOM 210 CB SER A 14 -14.459 8.158 -3.511 1.00 0.00 C ATOM 211 OG SER A 14 -15.681 7.443 -3.382 1.00 0.00 O ATOM 0 H SER A 14 -12.103 7.897 -1.228 1.00 0.00 H new ATOM 0 HA SER A 14 -13.750 6.602 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.538 9.127 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.246 8.351 -4.562 1.00 0.00 H new ATOM 0 HG SER A 14 -16.409 7.965 -3.780 1.00 0.00 H new ATOM 217 N ILE A 15 -11.301 6.315 -3.744 1.00 0.00 N ATOM 218 CA ILE A 15 -10.498 5.619 -4.786 1.00 0.00 C ATOM 219 C ILE A 15 -10.977 4.166 -4.897 1.00 0.00 C ATOM 220 O ILE A 15 -11.220 3.664 -5.980 1.00 0.00 O ATOM 221 CB ILE A 15 -8.998 5.694 -4.417 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.324 6.718 -5.330 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.307 4.337 -4.604 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.408 6.230 -6.778 1.00 0.00 C ATOM 0 H ILE A 15 -10.810 6.510 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.630 6.101 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.912 5.982 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.811 7.688 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.282 6.853 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.254 4.425 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.784 3.595 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.392 4.026 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.929 6.956 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.901 5.269 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.454 6.117 -7.064 1.00 0.00 H new ATOM 236 N ARG A 16 -11.127 3.493 -3.791 1.00 0.00 N ATOM 237 CA ARG A 16 -11.605 2.080 -3.854 1.00 0.00 C ATOM 238 C ARG A 16 -12.889 2.065 -4.668 1.00 0.00 C ATOM 239 O ARG A 16 -13.068 1.267 -5.562 1.00 0.00 O ATOM 240 CB ARG A 16 -11.904 1.525 -2.451 1.00 0.00 C ATOM 241 CG ARG A 16 -12.130 2.666 -1.461 1.00 0.00 C ATOM 242 CD ARG A 16 -10.809 2.990 -0.763 1.00 0.00 C ATOM 243 NE ARG A 16 -10.533 1.962 0.280 1.00 0.00 N ATOM 244 CZ ARG A 16 -10.824 2.202 1.529 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.917 2.846 1.834 1.00 0.00 N ATOM 246 NH2 ARG A 16 -10.020 1.798 2.475 1.00 0.00 N ATOM 0 H ARG A 16 -10.942 3.853 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.831 1.460 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.787 0.886 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.074 0.903 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.506 3.547 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.884 2.383 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.997 3.013 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.858 3.980 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.116 1.069 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.545 3.163 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.143 3.033 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.165 1.295 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.247 1.985 3.452 1.00 0.00 H new ATOM 260 N TRP A 17 -13.783 2.956 -4.358 1.00 0.00 N ATOM 261 CA TRP A 17 -15.066 3.020 -5.098 1.00 0.00 C ATOM 262 C TRP A 17 -14.791 3.197 -6.588 1.00 0.00 C ATOM 263 O TRP A 17 -15.143 2.365 -7.390 1.00 0.00 O ATOM 264 CB TRP A 17 -15.875 4.216 -4.586 1.00 0.00 C ATOM 265 CG TRP A 17 -17.224 4.223 -5.230 1.00 0.00 C ATOM 266 CD1 TRP A 17 -18.288 3.498 -4.819 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.667 4.981 -6.390 1.00 0.00 C ATOM 268 NE1 TRP A 17 -19.359 3.764 -5.654 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.025 4.673 -6.639 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.030 5.899 -7.244 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.725 5.252 -7.698 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -17.730 6.485 -8.309 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.075 6.163 -8.536 1.00 0.00 C ATOM 0 H TRP A 17 -13.678 3.649 -3.617 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.625 2.097 -4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.979 4.160 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.350 5.145 -4.809 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -18.300 2.822 -3.977 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -20.282 3.341 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -15.994 6.155 -7.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.761 4.998 -7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -17.230 7.188 -8.958 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -19.609 6.618 -9.357 1.00 0.00 H new ATOM 284 N VAL A 18 -14.198 4.294 -6.962 1.00 0.00 N ATOM 285 CA VAL A 18 -13.928 4.550 -8.408 1.00 0.00 C ATOM 286 C VAL A 18 -13.501 3.257 -9.116 1.00 0.00 C ATOM 287 O VAL A 18 -14.241 2.665 -9.888 1.00 0.00 O ATOM 288 CB VAL A 18 -12.793 5.570 -8.514 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.272 5.621 -9.953 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.313 6.953 -8.113 1.00 0.00 C ATOM 0 H VAL A 18 -13.886 5.029 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.835 4.925 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.982 5.275 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.464 6.349 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.900 4.638 -10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.081 5.912 -10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.505 7.681 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.126 7.243 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.678 6.921 -7.087 1.00 0.00 H new ATOM 300 N LEU A 19 -12.293 2.832 -8.868 1.00 0.00 N ATOM 301 CA LEU A 19 -11.776 1.603 -9.529 1.00 0.00 C ATOM 302 C LEU A 19 -12.634 0.389 -9.169 1.00 0.00 C ATOM 303 O LEU A 19 -13.295 -0.169 -10.013 1.00 0.00 O ATOM 304 CB LEU A 19 -10.330 1.367 -9.091 1.00 0.00 C ATOM 305 CG LEU A 19 -9.400 1.562 -10.290 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.698 2.917 -10.181 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.352 0.448 -10.308 1.00 0.00 C ATOM 0 H LEU A 19 -11.638 3.287 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.818 1.740 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.062 2.059 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.219 0.359 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.985 1.529 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.036 3.054 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.443 3.713 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.114 2.951 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.689 0.586 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.770 0.481 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.850 -0.518 -10.388 1.00 0.00 H new ATOM 319 N GLU A 20 -12.600 -0.038 -7.934 1.00 0.00 N ATOM 320 CA GLU A 20 -13.388 -1.244 -7.519 1.00 0.00 C ATOM 321 C GLU A 20 -14.723 -1.310 -8.271 1.00 0.00 C ATOM 322 O GLU A 20 -15.241 -2.376 -8.536 1.00 0.00 O ATOM 323 CB GLU A 20 -13.661 -1.175 -6.012 1.00 0.00 C ATOM 324 CG GLU A 20 -14.269 -2.499 -5.545 1.00 0.00 C ATOM 325 CD GLU A 20 -15.638 -2.242 -4.909 1.00 0.00 C ATOM 326 OE1 GLU A 20 -16.535 -1.830 -5.626 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.766 -2.465 -3.716 1.00 0.00 O ATOM 0 H GLU A 20 -12.058 0.397 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.809 -2.136 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.735 -0.977 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.341 -0.352 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.372 -3.181 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.607 -2.980 -4.825 1.00 0.00 H new ATOM 334 N ARG A 21 -15.280 -0.185 -8.628 1.00 0.00 N ATOM 335 CA ARG A 21 -16.571 -0.201 -9.372 1.00 0.00 C ATOM 336 C ARG A 21 -16.300 -0.695 -10.787 1.00 0.00 C ATOM 337 O ARG A 21 -16.903 -1.643 -11.252 1.00 0.00 O ATOM 338 CB ARG A 21 -17.166 1.208 -9.425 1.00 0.00 C ATOM 339 CG ARG A 21 -18.670 1.137 -9.149 1.00 0.00 C ATOM 340 CD ARG A 21 -18.904 0.780 -7.680 1.00 0.00 C ATOM 341 NE ARG A 21 -19.711 -0.469 -7.593 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.649 -1.215 -6.523 1.00 0.00 C ATOM 343 NH1 ARG A 21 -18.996 -0.800 -5.471 1.00 0.00 N ATOM 344 NH2 ARG A 21 -20.244 -2.376 -6.505 1.00 0.00 N ATOM 0 H ARG A 21 -14.898 0.742 -8.437 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.281 -0.858 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.680 1.848 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.985 1.654 -10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.138 2.094 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.134 0.391 -9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.949 0.645 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.421 1.596 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.313 -0.742 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.533 0.109 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.949 -1.385 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.756 -2.699 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.197 -2.960 -5.670 1.00 0.00 H new ATOM 358 N ALA A 22 -15.375 -0.075 -11.471 1.00 0.00 N ATOM 359 CA ALA A 22 -15.048 -0.535 -12.848 1.00 0.00 C ATOM 360 C ALA A 22 -14.297 -1.871 -12.763 1.00 0.00 C ATOM 361 O ALA A 22 -13.964 -2.474 -13.765 1.00 0.00 O ATOM 362 CB ALA A 22 -14.164 0.508 -13.537 1.00 0.00 C ATOM 0 H ALA A 22 -14.836 0.724 -11.137 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.965 -0.665 -13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.924 0.172 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.695 1.459 -13.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.243 0.637 -12.969 1.00 0.00 H new ATOM 368 N LEU A 23 -14.025 -2.332 -11.569 1.00 0.00 N ATOM 369 CA LEU A 23 -13.297 -3.617 -11.395 1.00 0.00 C ATOM 370 C LEU A 23 -14.285 -4.709 -10.980 1.00 0.00 C ATOM 371 O LEU A 23 -13.987 -5.889 -11.035 1.00 0.00 O ATOM 372 CB LEU A 23 -12.245 -3.440 -10.297 1.00 0.00 C ATOM 373 CG LEU A 23 -10.868 -3.250 -10.935 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.493 -4.505 -11.721 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.907 -2.049 -11.883 1.00 0.00 C ATOM 0 H LEU A 23 -14.281 -1.864 -10.699 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.816 -3.903 -12.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.492 -2.578 -9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.237 -4.312 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.127 -3.075 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.512 -4.370 -12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.466 -5.362 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.233 -4.680 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.926 -1.913 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.648 -2.225 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.175 -1.153 -11.324 1.00 0.00 H new ATOM 387 N ALA A 24 -15.460 -4.324 -10.563 1.00 0.00 N ATOM 388 CA ALA A 24 -16.471 -5.335 -10.143 1.00 0.00 C ATOM 389 C ALA A 24 -17.169 -5.891 -11.385 1.00 0.00 C ATOM 390 O ALA A 24 -17.586 -7.032 -11.417 1.00 0.00 O ATOM 391 CB ALA A 24 -17.503 -4.678 -9.226 1.00 0.00 C ATOM 0 H ALA A 24 -15.764 -3.353 -10.495 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.978 -6.145 -9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.242 -5.419 -8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.003 -4.278 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.001 -3.868 -9.760 1.00 0.00 H new ATOM 397 N GLY A 25 -17.293 -5.093 -12.411 1.00 0.00 N ATOM 398 CA GLY A 25 -17.956 -5.575 -13.655 1.00 0.00 C ATOM 399 C GLY A 25 -17.028 -6.559 -14.369 1.00 0.00 C ATOM 400 O GLY A 25 -17.462 -7.559 -14.903 1.00 0.00 O ATOM 0 H GLY A 25 -16.964 -4.128 -12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.902 -6.059 -13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.186 -4.734 -14.309 1.00 0.00 H new ATOM 404 N ALA A 26 -15.750 -6.288 -14.372 1.00 0.00 N ATOM 405 CA ALA A 26 -14.795 -7.215 -15.041 1.00 0.00 C ATOM 406 C ALA A 26 -14.691 -8.499 -14.217 1.00 0.00 C ATOM 407 O ALA A 26 -14.540 -9.581 -14.748 1.00 0.00 O ATOM 408 CB ALA A 26 -13.417 -6.553 -15.134 1.00 0.00 C ATOM 0 H ALA A 26 -15.328 -5.466 -13.941 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.149 -7.448 -16.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.719 -7.232 -15.624 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.494 -5.633 -15.713 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.056 -6.322 -14.132 1.00 0.00 H new ATOM 414 N GLY A 27 -14.781 -8.383 -12.920 1.00 0.00 N ATOM 415 CA GLY A 27 -14.698 -9.591 -12.053 1.00 0.00 C ATOM 416 C GLY A 27 -13.275 -9.755 -11.516 1.00 0.00 C ATOM 417 O GLY A 27 -12.587 -10.703 -11.841 1.00 0.00 O ATOM 0 H GLY A 27 -14.909 -7.501 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.400 -9.502 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.985 -10.476 -12.621 1.00 0.00 H new ATOM 421 N LEU A 28 -12.826 -8.847 -10.692 1.00 0.00 N ATOM 422 CA LEU A 28 -11.447 -8.972 -10.137 1.00 0.00 C ATOM 423 C LEU A 28 -11.430 -8.532 -8.677 1.00 0.00 C ATOM 424 O LEU A 28 -12.420 -8.086 -8.133 1.00 0.00 O ATOM 425 CB LEU A 28 -10.481 -8.085 -10.922 1.00 0.00 C ATOM 426 CG LEU A 28 -9.907 -8.863 -12.105 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.166 -8.088 -13.396 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.400 -9.039 -11.906 1.00 0.00 C ATOM 0 H LEU A 28 -13.350 -8.029 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.139 -10.015 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.999 -7.194 -11.278 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.674 -7.746 -10.272 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.384 -9.841 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.757 -8.642 -14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.239 -7.958 -13.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.687 -7.111 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.984 -9.594 -12.747 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.924 -8.060 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.217 -9.589 -10.983 1.00 0.00 H new ATOM 440 N THR A 29 -10.298 -8.649 -8.048 1.00 0.00 N ATOM 441 CA THR A 29 -10.179 -8.234 -6.624 1.00 0.00 C ATOM 442 C THR A 29 -9.529 -6.852 -6.570 1.00 0.00 C ATOM 443 O THR A 29 -8.355 -6.715 -6.287 1.00 0.00 O ATOM 444 CB THR A 29 -9.307 -9.240 -5.870 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.046 -10.433 -5.653 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.886 -8.650 -4.522 1.00 0.00 C ATOM 0 H THR A 29 -9.442 -9.017 -8.462 1.00 0.00 H new ATOM 0 HA THR A 29 -11.166 -8.199 -6.162 1.00 0.00 H new ATOM 0 HB THR A 29 -8.418 -9.461 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.489 -11.080 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.265 -9.369 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.319 -7.734 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.773 -8.426 -3.930 1.00 0.00 H new ATOM 454 N CYS A 30 -10.278 -5.829 -6.862 1.00 0.00 N ATOM 455 CA CYS A 30 -9.704 -4.463 -6.848 1.00 0.00 C ATOM 456 C CYS A 30 -9.696 -3.903 -5.428 1.00 0.00 C ATOM 457 O CYS A 30 -10.635 -3.268 -4.993 1.00 0.00 O ATOM 458 CB CYS A 30 -10.555 -3.569 -7.738 1.00 0.00 C ATOM 459 SG CYS A 30 -9.743 -1.965 -7.940 1.00 0.00 S ATOM 0 H CYS A 30 -11.266 -5.883 -7.110 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.678 -4.498 -7.214 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.700 -4.039 -8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.543 -3.435 -7.298 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.571 -1.416 -6.774 1.00 0.00 H new ATOM 465 N THR A 31 -8.636 -4.122 -4.705 1.00 0.00 N ATOM 466 CA THR A 31 -8.564 -3.585 -3.321 1.00 0.00 C ATOM 467 C THR A 31 -7.709 -2.321 -3.348 1.00 0.00 C ATOM 468 O THR A 31 -6.720 -2.256 -4.045 1.00 0.00 O ATOM 469 CB THR A 31 -7.919 -4.626 -2.402 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.407 -5.918 -2.737 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.268 -4.310 -0.947 1.00 0.00 C ATOM 0 H THR A 31 -7.818 -4.649 -5.012 1.00 0.00 H new ATOM 0 HA THR A 31 -9.562 -3.357 -2.948 1.00 0.00 H new ATOM 0 HB THR A 31 -6.837 -4.601 -2.528 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.994 -6.586 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.809 -5.051 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.894 -3.319 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.350 -4.334 -0.819 1.00 0.00 H new ATOM 479 N THR A 32 -8.068 -1.309 -2.612 1.00 0.00 N ATOM 480 CA THR A 32 -7.243 -0.072 -2.640 1.00 0.00 C ATOM 481 C THR A 32 -7.170 0.543 -1.246 1.00 0.00 C ATOM 482 O THR A 32 -8.148 0.607 -0.529 1.00 0.00 O ATOM 483 CB THR A 32 -7.841 0.943 -3.613 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.684 1.831 -2.900 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.654 0.222 -4.690 1.00 0.00 C ATOM 0 H THR A 32 -8.884 -1.283 -2.001 1.00 0.00 H new ATOM 0 HA THR A 32 -6.238 -0.336 -2.971 1.00 0.00 H new ATOM 0 HB THR A 32 -7.036 1.501 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.143 2.540 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.076 0.954 -5.378 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.006 -0.461 -5.239 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.460 -0.342 -4.221 1.00 0.00 H new ATOM 493 N PHE A 33 -6.013 1.007 -0.863 1.00 0.00 N ATOM 494 CA PHE A 33 -5.865 1.632 0.477 1.00 0.00 C ATOM 495 C PHE A 33 -5.711 3.142 0.297 1.00 0.00 C ATOM 496 O PHE A 33 -5.374 3.610 -0.768 1.00 0.00 O ATOM 497 CB PHE A 33 -4.627 1.059 1.171 1.00 0.00 C ATOM 498 CG PHE A 33 -5.010 -0.207 1.898 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.545 -0.137 3.190 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.838 -1.449 1.278 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.906 -1.311 3.863 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.200 -2.624 1.949 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.734 -2.555 3.241 1.00 0.00 C ATOM 0 H PHE A 33 -5.162 0.979 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.742 1.423 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.848 0.851 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.219 1.787 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.679 0.822 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.426 -1.502 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.317 -1.258 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.067 -3.583 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.014 -3.461 3.759 1.00 0.00 H new ATOM 513 N GLU A 34 -5.965 3.912 1.315 1.00 0.00 N ATOM 514 CA GLU A 34 -5.836 5.389 1.167 1.00 0.00 C ATOM 515 C GLU A 34 -4.425 5.827 1.569 1.00 0.00 C ATOM 516 O GLU A 34 -4.152 7.001 1.725 1.00 0.00 O ATOM 517 CB GLU A 34 -6.859 6.087 2.065 1.00 0.00 C ATOM 518 CG GLU A 34 -8.237 5.459 1.854 1.00 0.00 C ATOM 519 CD GLU A 34 -8.895 5.207 3.212 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.568 4.207 3.830 1.00 0.00 O ATOM 521 OE2 GLU A 34 -9.714 6.017 3.612 1.00 0.00 O ATOM 0 H GLU A 34 -6.254 3.587 2.238 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.018 5.662 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.563 5.996 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.894 7.152 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.861 6.119 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.142 4.522 1.305 1.00 0.00 H new ATOM 528 N ASN A 35 -3.525 4.898 1.737 1.00 0.00 N ATOM 529 CA ASN A 35 -2.137 5.272 2.127 1.00 0.00 C ATOM 530 C ASN A 35 -1.148 4.252 1.566 1.00 0.00 C ATOM 531 O ASN A 35 -1.299 3.059 1.747 1.00 0.00 O ATOM 532 CB ASN A 35 -2.026 5.305 3.653 1.00 0.00 C ATOM 533 CG ASN A 35 -2.448 6.683 4.167 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.067 7.694 3.612 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.227 6.767 5.210 1.00 0.00 N ATOM 0 H ASN A 35 -3.690 3.898 1.621 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.904 6.257 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.658 4.533 4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.002 5.089 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.516 7.681 5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.548 5.919 5.677 1.00 0.00 H new ATOM 542 N GLY A 36 -0.134 4.712 0.887 1.00 0.00 N ATOM 543 CA GLY A 36 0.865 3.769 0.316 1.00 0.00 C ATOM 544 C GLY A 36 1.437 2.903 1.436 1.00 0.00 C ATOM 545 O GLY A 36 1.280 1.699 1.439 1.00 0.00 O ATOM 0 H GLY A 36 0.045 5.699 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.398 3.141 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.665 4.322 -0.176 1.00 0.00 H new ATOM 549 N ASN A 37 2.096 3.506 2.392 1.00 0.00 N ATOM 550 CA ASN A 37 2.676 2.714 3.515 1.00 0.00 C ATOM 551 C ASN A 37 1.676 1.641 3.949 1.00 0.00 C ATOM 552 O ASN A 37 1.931 0.464 3.810 1.00 0.00 O ATOM 553 CB ASN A 37 2.980 3.640 4.695 1.00 0.00 C ATOM 554 CG ASN A 37 4.240 3.150 5.412 1.00 0.00 C ATOM 555 OD1 ASN A 37 5.239 3.841 5.449 1.00 0.00 O ATOM 556 ND2 ASN A 37 4.234 1.980 5.986 1.00 0.00 N ATOM 0 H ASN A 37 2.257 4.512 2.442 1.00 0.00 H new ATOM 0 HA ASN A 37 3.600 2.239 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.122 4.662 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.137 3.656 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.068 1.644 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.395 1.401 5.954 1.00 0.00 H new ATOM 563 N GLU A 38 0.550 2.041 4.487 1.00 0.00 N ATOM 564 CA GLU A 38 -0.472 1.047 4.946 1.00 0.00 C ATOM 565 C GLU A 38 -0.486 -0.169 4.014 1.00 0.00 C ATOM 566 O GLU A 38 -0.476 -1.301 4.455 1.00 0.00 O ATOM 567 CB GLU A 38 -1.855 1.703 4.933 1.00 0.00 C ATOM 568 CG GLU A 38 -2.684 1.160 6.099 1.00 0.00 C ATOM 569 CD GLU A 38 -2.460 2.033 7.335 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.158 3.024 7.472 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.596 1.693 8.127 1.00 0.00 O ATOM 0 H GLU A 38 0.293 3.018 4.629 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.220 0.721 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.757 2.786 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.358 1.499 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.741 1.151 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.400 0.130 6.312 1.00 0.00 H new ATOM 578 N VAL A 39 -0.504 0.058 2.726 1.00 0.00 N ATOM 579 CA VAL A 39 -0.511 -1.081 1.766 1.00 0.00 C ATOM 580 C VAL A 39 0.765 -1.906 1.975 1.00 0.00 C ATOM 581 O VAL A 39 0.722 -3.111 2.130 1.00 0.00 O ATOM 582 CB VAL A 39 -0.581 -0.523 0.330 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.256 -1.370 -0.635 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.038 -0.529 -0.142 1.00 0.00 C ATOM 0 H VAL A 39 -0.514 0.984 2.299 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.376 -1.724 1.930 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.183 0.492 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.187 -0.952 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.297 -1.368 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.120 -2.393 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.093 -0.135 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.421 -1.549 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.638 0.093 0.522 1.00 0.00 H new ATOM 594 N LEU A 40 1.899 -1.261 1.985 1.00 0.00 N ATOM 595 CA LEU A 40 3.177 -1.999 2.188 1.00 0.00 C ATOM 596 C LEU A 40 3.253 -2.505 3.629 1.00 0.00 C ATOM 597 O LEU A 40 4.157 -3.230 3.995 1.00 0.00 O ATOM 598 CB LEU A 40 4.357 -1.060 1.909 1.00 0.00 C ATOM 599 CG LEU A 40 4.284 -0.505 0.474 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.648 -1.523 -0.484 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.449 0.774 0.469 1.00 0.00 C ATOM 0 H LEU A 40 1.996 -0.253 1.861 1.00 0.00 H new ATOM 0 HA LEU A 40 3.219 -2.848 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.350 -0.237 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.296 -1.596 2.050 1.00 0.00 H new ATOM 0 HG LEU A 40 5.299 -0.298 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.610 -1.103 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.245 -2.435 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.637 -1.755 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.395 1.170 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.443 0.553 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.912 1.513 1.123 1.00 0.00 H new ATOM 613 N ALA A 41 2.308 -2.134 4.448 1.00 0.00 N ATOM 614 CA ALA A 41 2.320 -2.599 5.860 1.00 0.00 C ATOM 615 C ALA A 41 1.454 -3.852 5.973 1.00 0.00 C ATOM 616 O ALA A 41 1.603 -4.643 6.883 1.00 0.00 O ATOM 617 CB ALA A 41 1.756 -1.497 6.762 1.00 0.00 C ATOM 0 H ALA A 41 1.527 -1.527 4.198 1.00 0.00 H new ATOM 0 HA ALA A 41 3.340 -2.828 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.764 -1.835 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.369 -0.601 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.733 -1.269 6.462 1.00 0.00 H new ATOM 623 N ALA A 42 0.551 -4.038 5.050 1.00 0.00 N ATOM 624 CA ALA A 42 -0.326 -5.240 5.094 1.00 0.00 C ATOM 625 C ALA A 42 0.359 -6.395 4.365 1.00 0.00 C ATOM 626 O ALA A 42 0.213 -7.545 4.732 1.00 0.00 O ATOM 627 CB ALA A 42 -1.661 -4.925 4.413 1.00 0.00 C ATOM 0 H ALA A 42 0.383 -3.408 4.266 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.507 -5.521 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.303 -5.805 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.149 -4.101 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.483 -4.644 3.375 1.00 0.00 H new ATOM 633 N LEU A 43 1.109 -6.103 3.338 1.00 0.00 N ATOM 634 CA LEU A 43 1.798 -7.185 2.597 1.00 0.00 C ATOM 635 C LEU A 43 3.249 -7.268 3.083 1.00 0.00 C ATOM 636 O LEU A 43 3.494 -7.600 4.226 1.00 0.00 O ATOM 637 CB LEU A 43 1.726 -6.877 1.101 1.00 0.00 C ATOM 638 CG LEU A 43 0.278 -6.557 0.730 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.251 -5.551 -0.420 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.430 -7.843 0.303 1.00 0.00 C ATOM 0 H LEU A 43 1.272 -5.160 2.984 1.00 0.00 H new ATOM 0 HA LEU A 43 1.321 -8.149 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.372 -6.034 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.084 -7.729 0.523 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.232 -6.128 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.783 -5.325 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.756 -4.635 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.760 -5.974 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.463 -7.619 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.081 -8.271 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.414 -8.558 1.126 1.00 0.00 H new ATOM 652 N ALA A 44 4.205 -6.971 2.240 1.00 0.00 N ATOM 653 CA ALA A 44 5.638 -7.041 2.659 1.00 0.00 C ATOM 654 C ALA A 44 6.123 -8.488 2.556 1.00 0.00 C ATOM 655 O ALA A 44 7.136 -8.773 1.949 1.00 0.00 O ATOM 656 CB ALA A 44 5.791 -6.550 4.101 1.00 0.00 C ATOM 0 H ALA A 44 4.054 -6.681 1.274 1.00 0.00 H new ATOM 0 HA ALA A 44 6.234 -6.404 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.839 -6.606 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.448 -5.518 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.194 -7.177 4.764 1.00 0.00 H new ATOM 662 N SER A 45 5.401 -9.404 3.137 1.00 0.00 N ATOM 663 CA SER A 45 5.806 -10.832 3.070 1.00 0.00 C ATOM 664 C SER A 45 5.491 -11.372 1.674 1.00 0.00 C ATOM 665 O SER A 45 6.209 -12.196 1.143 1.00 0.00 O ATOM 666 CB SER A 45 5.028 -11.633 4.117 1.00 0.00 C ATOM 667 OG SER A 45 5.475 -11.265 5.414 1.00 0.00 O ATOM 0 H SER A 45 4.543 -9.222 3.658 1.00 0.00 H new ATOM 0 HA SER A 45 6.874 -10.924 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.960 -11.440 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.175 -12.701 3.958 1.00 0.00 H new ATOM 0 HG SER A 45 4.978 -11.774 6.088 1.00 0.00 H new ATOM 673 N LYS A 46 4.425 -10.913 1.073 1.00 0.00 N ATOM 674 CA LYS A 46 4.075 -11.403 -0.290 1.00 0.00 C ATOM 675 C LYS A 46 2.751 -10.784 -0.747 1.00 0.00 C ATOM 676 O LYS A 46 1.704 -11.063 -0.199 1.00 0.00 O ATOM 677 CB LYS A 46 3.935 -12.927 -0.264 1.00 0.00 C ATOM 678 CG LYS A 46 5.159 -13.566 -0.922 1.00 0.00 C ATOM 679 CD LYS A 46 4.873 -13.808 -2.405 1.00 0.00 C ATOM 680 CE LYS A 46 6.165 -13.641 -3.208 1.00 0.00 C ATOM 681 NZ LYS A 46 5.944 -12.656 -4.305 1.00 0.00 N ATOM 0 H LYS A 46 3.785 -10.223 1.466 1.00 0.00 H new ATOM 0 HA LYS A 46 4.865 -11.115 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.839 -13.276 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.029 -13.228 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.027 -12.916 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.400 -14.508 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.469 -14.810 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.118 -13.106 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.970 -13.301 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.475 -14.600 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.860 -12.376 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.356 -13.088 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.461 -11.816 -3.926 1.00 0.00 H new ATOM 695 N THR A 47 2.789 -9.960 -1.757 1.00 0.00 N ATOM 696 CA THR A 47 1.531 -9.340 -2.261 1.00 0.00 C ATOM 697 C THR A 47 0.708 -10.423 -2.965 1.00 0.00 C ATOM 698 O THR A 47 0.831 -11.587 -2.642 1.00 0.00 O ATOM 699 CB THR A 47 1.881 -8.219 -3.245 1.00 0.00 C ATOM 700 OG1 THR A 47 3.266 -7.924 -3.135 1.00 0.00 O ATOM 701 CG2 THR A 47 1.071 -6.966 -2.912 1.00 0.00 C ATOM 0 H THR A 47 3.637 -9.689 -2.255 1.00 0.00 H new ATOM 0 HA THR A 47 0.954 -8.918 -1.438 1.00 0.00 H new ATOM 0 HB THR A 47 1.646 -8.539 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.386 -6.961 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.324 -6.172 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.007 -7.190 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.304 -6.641 -1.898 1.00 0.00 H new ATOM 709 N PRO A 48 -0.104 -10.019 -3.907 1.00 0.00 N ATOM 710 CA PRO A 48 -0.900 -11.054 -4.599 1.00 0.00 C ATOM 711 C PRO A 48 -0.697 -10.987 -6.115 1.00 0.00 C ATOM 712 O PRO A 48 -0.024 -11.820 -6.689 1.00 0.00 O ATOM 713 CB PRO A 48 -2.347 -10.740 -4.234 1.00 0.00 C ATOM 714 CG PRO A 48 -2.380 -9.251 -3.847 1.00 0.00 C ATOM 715 CD PRO A 48 -0.931 -8.849 -3.522 1.00 0.00 C ATOM 0 HA PRO A 48 -0.606 -12.060 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.012 -10.938 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.684 -11.365 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.776 -8.647 -4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.029 -9.089 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.636 -7.959 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.815 -8.617 -2.463 1.00 0.00 H new ATOM 723 N ASP A 49 -1.282 -10.024 -6.782 1.00 0.00 N ATOM 724 CA ASP A 49 -1.111 -9.965 -8.259 1.00 0.00 C ATOM 725 C ASP A 49 -0.299 -8.735 -8.672 1.00 0.00 C ATOM 726 O ASP A 49 0.843 -8.846 -9.071 1.00 0.00 O ATOM 727 CB ASP A 49 -2.487 -9.915 -8.924 1.00 0.00 C ATOM 728 CG ASP A 49 -2.916 -11.333 -9.302 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.074 -12.141 -8.402 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.076 -11.587 -10.484 1.00 0.00 O ATOM 0 H ASP A 49 -1.860 -9.290 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.570 -10.855 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.216 -9.471 -8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.452 -9.284 -9.812 1.00 0.00 H new ATOM 735 N VAL A 50 -0.881 -7.569 -8.616 1.00 0.00 N ATOM 736 CA VAL A 50 -0.126 -6.354 -9.051 1.00 0.00 C ATOM 737 C VAL A 50 -0.418 -5.176 -8.122 1.00 0.00 C ATOM 738 O VAL A 50 -1.547 -4.923 -7.754 1.00 0.00 O ATOM 739 CB VAL A 50 -0.550 -5.996 -10.489 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.367 -4.497 -10.758 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.309 -6.781 -11.477 1.00 0.00 C ATOM 0 H VAL A 50 -1.834 -7.403 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 50 0.943 -6.564 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.603 -6.250 -10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.673 -4.271 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.979 -3.925 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.681 -4.229 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.013 -6.531 -12.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.358 -6.524 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.170 -7.849 -11.311 1.00 0.00 H new ATOM 751 N LEU A 51 0.599 -4.441 -7.760 1.00 0.00 N ATOM 752 CA LEU A 51 0.382 -3.263 -6.879 1.00 0.00 C ATOM 753 C LEU A 51 0.381 -2.001 -7.745 1.00 0.00 C ATOM 754 O LEU A 51 0.881 -2.000 -8.853 1.00 0.00 O ATOM 755 CB LEU A 51 1.501 -3.179 -5.837 1.00 0.00 C ATOM 756 CG LEU A 51 1.000 -2.421 -4.604 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.171 -3.175 -3.973 1.00 0.00 C ATOM 758 CD2 LEU A 51 2.130 -2.306 -3.581 1.00 0.00 C ATOM 0 H LEU A 51 1.567 -4.606 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.571 -3.358 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.824 -4.181 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.368 -2.672 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 51 0.672 -1.426 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.524 -2.632 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.981 -3.260 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.156 -4.171 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.773 -1.766 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.456 -3.303 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.967 -1.766 -4.023 1.00 0.00 H new ATOM 770 N LEU A 52 -0.176 -0.928 -7.261 1.00 0.00 N ATOM 771 CA LEU A 52 -0.204 0.322 -8.071 1.00 0.00 C ATOM 772 C LEU A 52 0.092 1.519 -7.167 1.00 0.00 C ATOM 773 O LEU A 52 -0.338 1.571 -6.031 1.00 0.00 O ATOM 774 CB LEU A 52 -1.585 0.485 -8.706 1.00 0.00 C ATOM 775 CG LEU A 52 -1.638 -0.289 -10.023 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.513 -1.532 -9.848 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.232 0.603 -11.115 1.00 0.00 C ATOM 0 H LEU A 52 -0.613 -0.861 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 52 0.550 0.267 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.354 0.119 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.792 1.540 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.630 -0.591 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.552 -2.085 -10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.091 -2.168 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.521 -1.230 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.270 0.052 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.240 0.905 -10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.610 1.489 -11.239 1.00 0.00 H new ATOM 789 N SER A 53 0.829 2.478 -7.655 1.00 0.00 N ATOM 790 CA SER A 53 1.156 3.663 -6.814 1.00 0.00 C ATOM 791 C SER A 53 0.610 4.937 -7.465 1.00 0.00 C ATOM 792 O SER A 53 1.094 5.369 -8.494 1.00 0.00 O ATOM 793 CB SER A 53 2.676 3.778 -6.679 1.00 0.00 C ATOM 794 OG SER A 53 2.988 4.621 -5.578 1.00 0.00 O ATOM 0 H SER A 53 1.218 2.492 -8.598 1.00 0.00 H new ATOM 0 HA SER A 53 0.701 3.541 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.115 2.791 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.104 4.184 -7.595 1.00 0.00 H new ATOM 0 HG SER A 53 3.304 5.488 -5.909 1.00 0.00 H new ATOM 800 N ASP A 54 -0.386 5.556 -6.877 1.00 0.00 N ATOM 801 CA ASP A 54 -0.926 6.804 -7.482 1.00 0.00 C ATOM 802 C ASP A 54 0.192 7.848 -7.559 1.00 0.00 C ATOM 803 O ASP A 54 1.289 7.633 -7.083 1.00 0.00 O ATOM 804 CB ASP A 54 -2.064 7.338 -6.613 1.00 0.00 C ATOM 805 CG ASP A 54 -1.524 7.684 -5.223 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.483 7.157 -4.866 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.161 8.470 -4.541 1.00 0.00 O ATOM 0 H ASP A 54 -0.840 5.252 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.303 6.596 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.504 8.222 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.855 6.593 -6.533 1.00 0.00 H new ATOM 812 N ILE A 55 -0.078 8.978 -8.155 1.00 0.00 N ATOM 813 CA ILE A 55 0.970 10.035 -8.258 1.00 0.00 C ATOM 814 C ILE A 55 0.305 11.376 -8.566 1.00 0.00 C ATOM 815 O ILE A 55 0.819 12.176 -9.324 1.00 0.00 O ATOM 816 CB ILE A 55 1.948 9.685 -9.382 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.101 10.691 -9.382 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.222 9.746 -10.728 1.00 0.00 C ATOM 819 CD1 ILE A 55 4.434 9.942 -9.444 1.00 0.00 C ATOM 0 H ILE A 55 -0.977 9.215 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 55 1.512 10.100 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 55 2.339 8.680 -9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.010 11.364 -10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.060 11.307 -8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.918 9.497 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.397 9.033 -10.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.832 10.752 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.255 10.659 -9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.524 9.287 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.474 9.345 -10.355 1.00 0.00 H new ATOM 831 N ARG A 56 -0.835 11.628 -7.987 1.00 0.00 N ATOM 832 CA ARG A 56 -1.535 12.917 -8.248 1.00 0.00 C ATOM 833 C ARG A 56 -1.474 13.795 -6.995 1.00 0.00 C ATOM 834 O ARG A 56 -0.661 14.692 -6.895 1.00 0.00 O ATOM 835 CB ARG A 56 -2.994 12.634 -8.613 1.00 0.00 C ATOM 836 CG ARG A 56 -3.711 13.947 -8.931 1.00 0.00 C ATOM 837 CD ARG A 56 -5.196 13.671 -9.176 1.00 0.00 C ATOM 838 NE ARG A 56 -5.553 14.062 -10.569 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.444 14.992 -10.778 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.483 15.090 -9.994 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.296 15.826 -11.771 1.00 0.00 N ATOM 0 H ARG A 56 -1.313 10.997 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.050 13.438 -9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.041 11.966 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.493 12.127 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.592 14.648 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.267 14.413 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.411 12.614 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.803 14.230 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.101 13.602 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.599 14.439 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.179 15.817 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.484 15.751 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.992 16.553 -11.935 1.00 0.00 H new ATOM 855 N MET A 57 -2.327 13.546 -6.037 1.00 0.00 N ATOM 856 CA MET A 57 -2.315 14.367 -4.793 1.00 0.00 C ATOM 857 C MET A 57 -0.882 14.477 -4.262 1.00 0.00 C ATOM 858 O MET A 57 -0.145 13.511 -4.268 1.00 0.00 O ATOM 859 CB MET A 57 -3.197 13.697 -3.736 1.00 0.00 C ATOM 860 CG MET A 57 -2.856 12.207 -3.653 1.00 0.00 C ATOM 861 SD MET A 57 -2.717 11.715 -1.917 1.00 0.00 S ATOM 862 CE MET A 57 -1.222 10.707 -2.082 1.00 0.00 C ATOM 0 H MET A 57 -3.032 12.809 -6.063 1.00 0.00 H new ATOM 0 HA MET A 57 -2.697 15.364 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.043 14.170 -2.766 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.249 13.826 -3.990 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.628 11.618 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.920 12.008 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.462 9.664 -1.878 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.832 10.798 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.471 11.052 -1.372 1.00 0.00 H new ATOM 872 N PRO A 58 -0.535 15.655 -3.810 1.00 0.00 N ATOM 873 CA PRO A 58 0.832 15.838 -3.272 1.00 0.00 C ATOM 874 C PRO A 58 0.774 16.121 -1.768 1.00 0.00 C ATOM 875 O PRO A 58 -0.267 16.427 -1.224 1.00 0.00 O ATOM 876 CB PRO A 58 1.385 17.049 -4.026 1.00 0.00 C ATOM 877 CG PRO A 58 0.162 17.842 -4.521 1.00 0.00 C ATOM 878 CD PRO A 58 -1.027 16.867 -4.510 1.00 0.00 C ATOM 0 HA PRO A 58 1.455 14.953 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.008 17.662 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.010 16.735 -4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.033 18.698 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.334 18.233 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.884 17.298 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.351 16.631 -5.524 1.00 0.00 H new ATOM 886 N GLY A 59 1.887 16.021 -1.090 1.00 0.00 N ATOM 887 CA GLY A 59 1.892 16.285 0.376 1.00 0.00 C ATOM 888 C GLY A 59 2.455 15.067 1.112 1.00 0.00 C ATOM 889 O GLY A 59 1.730 14.174 1.501 1.00 0.00 O ATOM 0 H GLY A 59 2.791 15.768 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.495 17.166 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.880 16.496 0.722 1.00 0.00 H new ATOM 893 N MET A 60 3.745 15.026 1.305 1.00 0.00 N ATOM 894 CA MET A 60 4.358 13.866 2.014 1.00 0.00 C ATOM 895 C MET A 60 3.842 12.557 1.407 1.00 0.00 C ATOM 896 O MET A 60 4.356 12.080 0.415 1.00 0.00 O ATOM 897 CB MET A 60 3.993 13.922 3.500 1.00 0.00 C ATOM 898 CG MET A 60 4.683 15.121 4.152 1.00 0.00 C ATOM 899 SD MET A 60 6.471 14.842 4.197 1.00 0.00 S ATOM 900 CE MET A 60 6.968 16.579 4.100 1.00 0.00 C ATOM 0 H MET A 60 4.402 15.746 1.002 1.00 0.00 H new ATOM 0 HA MET A 60 5.442 13.910 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.912 14.004 3.617 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.298 13.000 3.995 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.461 16.030 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.302 15.267 5.163 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.056 16.647 4.113 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.588 17.015 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.560 17.122 4.952 1.00 0.00 H new ATOM 910 N ASP A 61 2.830 11.971 1.991 1.00 0.00 N ATOM 911 CA ASP A 61 2.293 10.694 1.438 1.00 0.00 C ATOM 912 C ASP A 61 2.027 10.862 -0.059 1.00 0.00 C ATOM 913 O ASP A 61 1.974 11.961 -0.570 1.00 0.00 O ATOM 914 CB ASP A 61 0.987 10.339 2.152 1.00 0.00 C ATOM 915 CG ASP A 61 1.278 9.379 3.307 1.00 0.00 C ATOM 916 OD1 ASP A 61 1.906 8.361 3.061 1.00 0.00 O ATOM 917 OD2 ASP A 61 0.868 9.675 4.416 1.00 0.00 O ATOM 0 H ASP A 61 2.354 12.320 2.823 1.00 0.00 H new ATOM 0 HA ASP A 61 3.019 9.896 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.509 11.243 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.291 9.880 1.451 1.00 0.00 H new ATOM 922 N GLY A 62 1.857 9.779 -0.767 1.00 0.00 N ATOM 923 CA GLY A 62 1.593 9.883 -2.229 1.00 0.00 C ATOM 924 C GLY A 62 2.820 9.408 -3.008 1.00 0.00 C ATOM 925 O GLY A 62 2.763 8.445 -3.747 1.00 0.00 O ATOM 0 H GLY A 62 1.889 8.829 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.725 9.280 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.359 10.914 -2.494 1.00 0.00 H new ATOM 929 N LEU A 63 3.930 10.077 -2.853 1.00 0.00 N ATOM 930 CA LEU A 63 5.156 9.661 -3.590 1.00 0.00 C ATOM 931 C LEU A 63 6.239 9.239 -2.594 1.00 0.00 C ATOM 932 O LEU A 63 7.338 8.884 -2.973 1.00 0.00 O ATOM 933 CB LEU A 63 5.664 10.829 -4.438 1.00 0.00 C ATOM 934 CG LEU A 63 4.590 11.226 -5.453 1.00 0.00 C ATOM 935 CD1 LEU A 63 4.047 9.971 -6.143 1.00 0.00 C ATOM 936 CD2 LEU A 63 3.448 11.945 -4.730 1.00 0.00 C ATOM 0 H LEU A 63 4.040 10.892 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 63 4.918 8.819 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.907 11.678 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.581 10.546 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 63 5.025 11.890 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.282 10.255 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.860 9.458 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.612 9.305 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.682 12.229 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.014 11.280 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.833 12.839 -4.240 1.00 0.00 H new ATOM 948 N ALA A 64 5.939 9.267 -1.325 1.00 0.00 N ATOM 949 CA ALA A 64 6.953 8.859 -0.312 1.00 0.00 C ATOM 950 C ALA A 64 6.574 7.492 0.255 1.00 0.00 C ATOM 951 O ALA A 64 6.221 7.362 1.411 1.00 0.00 O ATOM 952 CB ALA A 64 6.993 9.888 0.821 1.00 0.00 C ATOM 0 H ALA A 64 5.037 9.554 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 64 7.935 8.803 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.735 9.587 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.259 10.864 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.013 9.946 1.294 1.00 0.00 H new ATOM 958 N LEU A 65 6.639 6.469 -0.551 1.00 0.00 N ATOM 959 CA LEU A 65 6.276 5.111 -0.057 1.00 0.00 C ATOM 960 C LEU A 65 6.716 4.047 -1.072 1.00 0.00 C ATOM 961 O LEU A 65 7.054 2.938 -0.710 1.00 0.00 O ATOM 962 CB LEU A 65 4.759 5.031 0.138 1.00 0.00 C ATOM 963 CG LEU A 65 4.053 5.613 -1.089 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.541 4.474 -1.972 1.00 0.00 C ATOM 965 CD2 LEU A 65 2.870 6.474 -0.639 1.00 0.00 C ATOM 0 H LEU A 65 6.927 6.514 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 65 6.781 4.929 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.455 3.995 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.468 5.581 1.033 1.00 0.00 H new ATOM 0 HG LEU A 65 4.757 6.225 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.038 4.889 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.381 3.858 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.839 3.862 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.368 6.888 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.168 5.861 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.231 7.287 -0.009 1.00 0.00 H new ATOM 977 N LEU A 66 6.708 4.373 -2.338 1.00 0.00 N ATOM 978 CA LEU A 66 7.120 3.381 -3.373 1.00 0.00 C ATOM 979 C LEU A 66 8.328 2.579 -2.882 1.00 0.00 C ATOM 980 O LEU A 66 8.500 1.428 -3.229 1.00 0.00 O ATOM 981 CB LEU A 66 7.493 4.118 -4.661 1.00 0.00 C ATOM 982 CG LEU A 66 6.981 3.328 -5.867 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.463 3.490 -5.978 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.645 3.857 -7.141 1.00 0.00 C ATOM 0 H LEU A 66 6.433 5.286 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 66 6.291 2.699 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.061 5.119 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.575 4.238 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 66 7.224 2.273 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.099 2.927 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.990 3.114 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.218 4.544 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.281 3.295 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.401 4.912 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.726 3.741 -7.063 1.00 0.00 H new ATOM 996 N LYS A 67 9.166 3.173 -2.078 1.00 0.00 N ATOM 997 CA LYS A 67 10.358 2.436 -1.574 1.00 0.00 C ATOM 998 C LYS A 67 9.907 1.170 -0.840 1.00 0.00 C ATOM 999 O LYS A 67 10.331 0.075 -1.163 1.00 0.00 O ATOM 1000 CB LYS A 67 11.155 3.339 -0.627 1.00 0.00 C ATOM 1001 CG LYS A 67 12.284 2.540 0.029 1.00 0.00 C ATOM 1002 CD LYS A 67 13.593 2.796 -0.721 1.00 0.00 C ATOM 1003 CE LYS A 67 14.755 2.850 0.275 1.00 0.00 C ATOM 1004 NZ LYS A 67 16.046 2.719 -0.458 1.00 0.00 N ATOM 0 H LYS A 67 9.077 4.134 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 67 10.993 2.151 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.568 4.184 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.496 3.749 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.389 2.830 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.047 1.476 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.765 2.007 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.530 3.734 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.732 3.790 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.658 2.048 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.835 2.756 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.067 1.811 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.139 3.499 -1.140 1.00 0.00 H new ATOM 1018 N GLN A 68 9.046 1.293 0.139 1.00 0.00 N ATOM 1019 CA GLN A 68 8.588 0.071 0.857 1.00 0.00 C ATOM 1020 C GLN A 68 7.958 -0.877 -0.165 1.00 0.00 C ATOM 1021 O GLN A 68 8.127 -2.076 -0.096 1.00 0.00 O ATOM 1022 CB GLN A 68 7.575 0.427 1.964 1.00 0.00 C ATOM 1023 CG GLN A 68 6.452 1.316 1.422 1.00 0.00 C ATOM 1024 CD GLN A 68 6.684 2.762 1.866 1.00 0.00 C ATOM 1025 OE1 GLN A 68 7.809 3.208 1.971 1.00 0.00 O ATOM 1026 NE2 GLN A 68 5.656 3.518 2.140 1.00 0.00 N ATOM 0 H GLN A 68 8.647 2.173 0.466 1.00 0.00 H new ATOM 0 HA GLN A 68 9.438 -0.411 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.150 -0.487 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.087 0.940 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.422 1.259 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.487 0.963 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.711 3.145 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.798 4.482 2.442 1.00 0.00 H new ATOM 1035 N ILE A 69 7.224 -0.341 -1.108 1.00 0.00 N ATOM 1036 CA ILE A 69 6.569 -1.195 -2.139 1.00 0.00 C ATOM 1037 C ILE A 69 7.502 -2.347 -2.539 1.00 0.00 C ATOM 1038 O ILE A 69 7.069 -3.448 -2.809 1.00 0.00 O ATOM 1039 CB ILE A 69 6.259 -0.305 -3.364 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.868 -0.644 -3.900 1.00 0.00 C ATOM 1041 CG2 ILE A 69 7.292 -0.508 -4.482 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.374 0.492 -4.798 1.00 0.00 C ATOM 0 H ILE A 69 7.051 0.659 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 69 5.649 -1.628 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 69 6.300 0.736 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.901 -1.577 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.175 -0.795 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.043 0.133 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.284 -0.251 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.282 -1.550 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.382 0.249 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.325 1.416 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.062 0.621 -5.633 1.00 0.00 H new ATOM 1054 N LYS A 70 8.780 -2.080 -2.602 1.00 0.00 N ATOM 1055 CA LYS A 70 9.749 -3.135 -3.011 1.00 0.00 C ATOM 1056 C LYS A 70 10.590 -3.580 -1.810 1.00 0.00 C ATOM 1057 O LYS A 70 10.481 -4.698 -1.351 1.00 0.00 O ATOM 1058 CB LYS A 70 10.670 -2.567 -4.093 1.00 0.00 C ATOM 1059 CG LYS A 70 11.560 -3.682 -4.645 1.00 0.00 C ATOM 1060 CD LYS A 70 11.171 -3.982 -6.093 1.00 0.00 C ATOM 1061 CE LYS A 70 11.877 -5.259 -6.554 1.00 0.00 C ATOM 1062 NZ LYS A 70 13.194 -4.910 -7.159 1.00 0.00 N ATOM 0 H LYS A 70 9.194 -1.173 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 70 9.203 -3.997 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.077 -2.129 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.285 -1.768 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.607 -3.384 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.454 -4.580 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.091 -4.101 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.449 -3.147 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.020 -5.933 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.259 -5.786 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.673 -5.778 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.046 -4.283 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.783 -4.425 -6.452 1.00 0.00 H new ATOM 1076 N GLN A 71 11.454 -2.725 -1.325 1.00 0.00 N ATOM 1077 CA GLN A 71 12.334 -3.100 -0.174 1.00 0.00 C ATOM 1078 C GLN A 71 11.584 -4.004 0.815 1.00 0.00 C ATOM 1079 O GLN A 71 12.174 -4.828 1.485 1.00 0.00 O ATOM 1080 CB GLN A 71 12.777 -1.830 0.553 1.00 0.00 C ATOM 1081 CG GLN A 71 14.192 -2.028 1.103 1.00 0.00 C ATOM 1082 CD GLN A 71 14.471 -0.991 2.191 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.584 -0.788 3.125 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 15.509 -0.360 2.192 1.00 0.00 N flip ATOM 0 H GLN A 71 11.589 -1.778 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 71 13.198 -3.641 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.756 -0.980 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.087 -1.603 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.297 -3.034 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.922 -1.932 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.203 -0.519 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.687 0.328 2.923 1.00 0.00 H new ATOM 1093 N ARG A 72 10.294 -3.845 0.919 1.00 0.00 N ATOM 1094 CA ARG A 72 9.508 -4.682 1.874 1.00 0.00 C ATOM 1095 C ARG A 72 8.884 -5.872 1.139 1.00 0.00 C ATOM 1096 O ARG A 72 8.746 -6.949 1.685 1.00 0.00 O ATOM 1097 CB ARG A 72 8.392 -3.831 2.483 1.00 0.00 C ATOM 1098 CG ARG A 72 8.441 -3.932 4.008 1.00 0.00 C ATOM 1099 CD ARG A 72 9.414 -2.889 4.561 1.00 0.00 C ATOM 1100 NE ARG A 72 9.307 -2.850 6.046 1.00 0.00 N ATOM 1101 CZ ARG A 72 8.584 -1.931 6.623 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.118 -0.784 6.942 1.00 0.00 N ATOM 1103 NH2 ARG A 72 7.325 -2.157 6.880 1.00 0.00 N ATOM 0 H ARG A 72 9.747 -3.171 0.384 1.00 0.00 H new ATOM 0 HA ARG A 72 10.171 -5.051 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.504 -2.792 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.423 -4.170 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.447 -3.773 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.756 -4.932 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.434 -3.134 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.188 -1.908 4.143 1.00 0.00 H new ATOM 0 HE ARG A 72 9.799 -3.542 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.102 -0.606 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.552 -0.066 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.906 -3.053 6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.760 -1.438 7.331 1.00 0.00 H new ATOM 1117 N HIS A 73 8.490 -5.679 -0.088 1.00 0.00 N ATOM 1118 CA HIS A 73 7.855 -6.785 -0.857 1.00 0.00 C ATOM 1119 C HIS A 73 8.909 -7.470 -1.736 1.00 0.00 C ATOM 1120 O HIS A 73 9.731 -6.813 -2.345 1.00 0.00 O ATOM 1121 CB HIS A 73 6.734 -6.200 -1.725 1.00 0.00 C ATOM 1122 CG HIS A 73 5.747 -5.472 -0.843 1.00 0.00 C ATOM 1123 ND1 HIS A 73 6.134 -4.479 0.045 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.386 -5.594 -0.687 1.00 0.00 C ATOM 1125 CE1 HIS A 73 5.034 -4.057 0.688 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.944 -4.700 0.280 1.00 0.00 N ATOM 0 H HIS A 73 8.581 -4.798 -0.594 1.00 0.00 H new ATOM 0 HA HIS A 73 7.436 -7.526 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.151 -5.517 -2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.231 -6.996 -2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.756 -6.281 -1.233 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.034 -3.288 1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.987 -4.565 0.607 1.00 0.00 H new ATOM 1134 N PRO A 74 8.856 -8.779 -1.757 1.00 0.00 N ATOM 1135 CA PRO A 74 9.844 -9.534 -2.564 1.00 0.00 C ATOM 1136 C PRO A 74 10.121 -8.827 -3.895 1.00 0.00 C ATOM 1137 O PRO A 74 10.976 -7.969 -3.982 1.00 0.00 O ATOM 1138 CB PRO A 74 9.189 -10.897 -2.794 1.00 0.00 C ATOM 1139 CG PRO A 74 7.676 -10.682 -2.624 1.00 0.00 C ATOM 1140 CD PRO A 74 7.507 -9.393 -1.804 1.00 0.00 C ATOM 0 HA PRO A 74 10.808 -9.618 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.419 -11.276 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.560 -11.632 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.186 -10.592 -3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.219 -11.529 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.786 -8.722 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.139 -9.610 -0.801 1.00 0.00 H new ATOM 1148 N MET A 75 9.411 -9.181 -4.933 1.00 0.00 N ATOM 1149 CA MET A 75 9.651 -8.527 -6.251 1.00 0.00 C ATOM 1150 C MET A 75 8.546 -8.919 -7.233 1.00 0.00 C ATOM 1151 O MET A 75 8.605 -9.951 -7.870 1.00 0.00 O ATOM 1152 CB MET A 75 11.003 -8.983 -6.804 1.00 0.00 C ATOM 1153 CG MET A 75 11.154 -10.492 -6.603 1.00 0.00 C ATOM 1154 SD MET A 75 11.658 -11.262 -8.162 1.00 0.00 S ATOM 1155 CE MET A 75 13.194 -12.010 -7.564 1.00 0.00 C ATOM 0 H MET A 75 8.679 -9.891 -4.925 1.00 0.00 H new ATOM 0 HA MET A 75 9.651 -7.445 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.076 -8.737 -7.863 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.811 -8.455 -6.298 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.895 -10.694 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.212 -10.920 -6.262 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.679 -12.546 -8.380 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.860 -11.229 -7.196 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.969 -12.705 -6.755 1.00 0.00 H new ATOM 1165 N LEU A 76 7.540 -8.099 -7.362 1.00 0.00 N ATOM 1166 CA LEU A 76 6.433 -8.419 -8.302 1.00 0.00 C ATOM 1167 C LEU A 76 6.123 -7.167 -9.138 1.00 0.00 C ATOM 1168 O LEU A 76 6.654 -6.108 -8.869 1.00 0.00 O ATOM 1169 CB LEU A 76 5.210 -8.856 -7.486 1.00 0.00 C ATOM 1170 CG LEU A 76 4.507 -7.632 -6.893 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.077 -7.546 -7.431 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.467 -7.767 -5.373 1.00 0.00 C ATOM 0 H LEU A 76 7.438 -7.220 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 76 6.710 -9.229 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.519 -9.410 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.518 -9.530 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 76 5.051 -6.730 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.580 -6.674 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.102 -7.457 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.529 -8.446 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.968 -6.899 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.921 -8.670 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.484 -7.829 -4.986 1.00 0.00 H new ATOM 1184 N PRO A 77 5.287 -7.322 -10.131 1.00 0.00 N ATOM 1185 CA PRO A 77 4.980 -6.137 -10.963 1.00 0.00 C ATOM 1186 C PRO A 77 4.376 -5.010 -10.113 1.00 0.00 C ATOM 1187 O PRO A 77 3.240 -5.072 -9.672 1.00 0.00 O ATOM 1188 CB PRO A 77 3.988 -6.643 -12.011 1.00 0.00 C ATOM 1189 CG PRO A 77 3.346 -7.909 -11.420 1.00 0.00 C ATOM 1190 CD PRO A 77 4.290 -8.405 -10.316 1.00 0.00 C ATOM 0 HA PRO A 77 5.872 -5.712 -11.423 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.232 -5.888 -12.227 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.494 -6.866 -12.950 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.358 -7.690 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.214 -8.671 -12.188 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.745 -8.599 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.774 -9.339 -10.603 1.00 0.00 H new ATOM 1198 N VAL A 78 5.141 -3.974 -9.888 1.00 0.00 N ATOM 1199 CA VAL A 78 4.646 -2.822 -9.080 1.00 0.00 C ATOM 1200 C VAL A 78 4.263 -1.688 -10.035 1.00 0.00 C ATOM 1201 O VAL A 78 5.032 -0.776 -10.270 1.00 0.00 O ATOM 1202 CB VAL A 78 5.749 -2.333 -8.126 1.00 0.00 C ATOM 1203 CG1 VAL A 78 5.161 -2.108 -6.733 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.871 -3.372 -8.033 1.00 0.00 C ATOM 0 H VAL A 78 6.096 -3.877 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 78 3.783 -3.131 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 78 6.156 -1.399 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.944 -1.762 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.372 -1.358 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.747 -3.044 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.645 -3.012 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.466 -4.312 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.301 -3.532 -9.022 1.00 0.00 H new ATOM 1214 N ILE A 79 3.088 -1.746 -10.598 1.00 0.00 N ATOM 1215 CA ILE A 79 2.658 -0.683 -11.552 1.00 0.00 C ATOM 1216 C ILE A 79 2.586 0.670 -10.832 1.00 0.00 C ATOM 1217 O ILE A 79 2.410 0.744 -9.632 1.00 0.00 O ATOM 1218 CB ILE A 79 1.283 -1.056 -12.132 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.484 -1.964 -13.348 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.519 0.201 -12.568 1.00 0.00 C ATOM 1221 CD1 ILE A 79 2.179 -3.256 -12.917 1.00 0.00 C ATOM 0 H ILE A 79 2.404 -2.486 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 79 3.381 -0.602 -12.363 1.00 0.00 H new ATOM 0 HB ILE A 79 0.705 -1.570 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.522 -2.193 -13.806 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.082 -1.452 -14.102 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.451 -0.085 -12.975 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.373 0.854 -11.708 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.091 0.728 -13.331 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.321 -3.900 -13.785 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.149 -3.019 -12.479 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.564 -3.771 -12.179 1.00 0.00 H new ATOM 1233 N ILE A 80 2.712 1.737 -11.572 1.00 0.00 N ATOM 1234 CA ILE A 80 2.646 3.096 -10.963 1.00 0.00 C ATOM 1235 C ILE A 80 2.332 4.114 -12.062 1.00 0.00 C ATOM 1236 O ILE A 80 2.674 3.921 -13.212 1.00 0.00 O ATOM 1237 CB ILE A 80 3.989 3.441 -10.313 1.00 0.00 C ATOM 1238 CG1 ILE A 80 5.078 3.491 -11.388 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.345 2.377 -9.274 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.594 4.925 -11.522 1.00 0.00 C ATOM 0 H ILE A 80 2.859 1.726 -12.581 1.00 0.00 H new ATOM 0 HA ILE A 80 1.868 3.119 -10.200 1.00 0.00 H new ATOM 0 HB ILE A 80 3.916 4.412 -9.824 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.896 2.821 -11.124 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.679 3.146 -12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.301 2.624 -8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.570 2.343 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.418 1.404 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.370 4.963 -12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.772 5.582 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.008 5.253 -10.569 1.00 0.00 H new ATOM 1252 N MET A 81 1.681 5.192 -11.723 1.00 0.00 N ATOM 1253 CA MET A 81 1.350 6.208 -12.763 1.00 0.00 C ATOM 1254 C MET A 81 2.476 7.241 -12.845 1.00 0.00 C ATOM 1255 O MET A 81 2.873 7.823 -11.856 1.00 0.00 O ATOM 1256 CB MET A 81 0.033 6.902 -12.403 1.00 0.00 C ATOM 1257 CG MET A 81 -1.129 5.931 -12.622 1.00 0.00 C ATOM 1258 SD MET A 81 -2.622 6.587 -11.838 1.00 0.00 S ATOM 1259 CE MET A 81 -3.798 5.448 -12.608 1.00 0.00 C ATOM 0 H MET A 81 1.366 5.413 -10.779 1.00 0.00 H new ATOM 0 HA MET A 81 1.242 5.716 -13.730 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.055 7.232 -11.364 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.102 7.792 -13.017 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.300 5.786 -13.689 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.885 4.955 -12.203 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.781 5.916 -12.653 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.464 5.207 -13.617 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.858 4.534 -12.018 1.00 0.00 H new ATOM 1269 N THR A 82 2.998 7.467 -14.022 1.00 0.00 N ATOM 1270 CA THR A 82 4.104 8.456 -14.174 1.00 0.00 C ATOM 1271 C THR A 82 3.545 9.877 -14.062 1.00 0.00 C ATOM 1272 O THR A 82 2.389 10.124 -14.348 1.00 0.00 O ATOM 1273 CB THR A 82 4.763 8.273 -15.543 1.00 0.00 C ATOM 1274 OG1 THR A 82 3.788 8.445 -16.563 1.00 0.00 O ATOM 1275 CG2 THR A 82 5.362 6.868 -15.640 1.00 0.00 C ATOM 0 H THR A 82 2.705 7.009 -14.885 1.00 0.00 H new ATOM 0 HA THR A 82 4.842 8.297 -13.388 1.00 0.00 H new ATOM 0 HB THR A 82 5.554 9.012 -15.667 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.209 8.330 -17.441 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.831 6.739 -16.615 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.110 6.736 -14.858 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.573 6.127 -15.516 1.00 0.00 H new ATOM 1283 N ALA A 83 4.357 10.811 -13.647 1.00 0.00 N ATOM 1284 CA ALA A 83 3.875 12.214 -13.516 1.00 0.00 C ATOM 1285 C ALA A 83 4.855 13.008 -12.649 1.00 0.00 C ATOM 1286 O ALA A 83 4.461 13.819 -11.834 1.00 0.00 O ATOM 1287 CB ALA A 83 2.494 12.221 -12.861 1.00 0.00 C ATOM 0 H ALA A 83 5.334 10.662 -13.393 1.00 0.00 H new ATOM 0 HA ALA A 83 3.809 12.670 -14.504 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.142 13.248 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.796 11.654 -13.477 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.558 11.766 -11.873 1.00 0.00 H new ATOM 1293 N HIS A 84 6.129 12.783 -12.819 1.00 0.00 N ATOM 1294 CA HIS A 84 7.132 13.524 -12.003 1.00 0.00 C ATOM 1295 C HIS A 84 7.048 13.060 -10.548 1.00 0.00 C ATOM 1296 O HIS A 84 6.043 12.537 -10.110 1.00 0.00 O ATOM 1297 CB HIS A 84 6.842 15.025 -12.079 1.00 0.00 C ATOM 1298 CG HIS A 84 7.941 15.710 -12.844 1.00 0.00 C ATOM 1299 ND1 HIS A 84 7.746 16.916 -13.497 1.00 0.00 N ATOM 1300 CD2 HIS A 84 9.252 15.367 -13.072 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.910 17.253 -14.082 1.00 0.00 C ATOM 1302 NE2 HIS A 84 9.862 16.343 -13.854 1.00 0.00 N ATOM 0 H HIS A 84 6.519 12.118 -13.487 1.00 0.00 H new ATOM 0 HA HIS A 84 8.132 13.328 -12.389 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.883 15.197 -12.567 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.768 15.443 -11.075 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.735 14.475 -12.701 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.057 18.150 -14.665 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.828 16.360 -14.182 1.00 0.00 H new ATOM 1310 N SER A 85 8.097 13.247 -9.795 1.00 0.00 N ATOM 1311 CA SER A 85 8.075 12.815 -8.370 1.00 0.00 C ATOM 1312 C SER A 85 7.907 11.297 -8.304 1.00 0.00 C ATOM 1313 O SER A 85 7.335 10.692 -9.189 1.00 0.00 O ATOM 1314 CB SER A 85 6.907 13.489 -7.648 1.00 0.00 C ATOM 1315 OG SER A 85 7.048 14.900 -7.743 1.00 0.00 O ATOM 0 H SER A 85 8.967 13.680 -10.105 1.00 0.00 H new ATOM 0 HA SER A 85 9.010 13.101 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.961 13.176 -8.091 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.886 13.184 -6.602 1.00 0.00 H new ATOM 0 HG SER A 85 6.300 15.335 -7.283 1.00 0.00 H new ATOM 1321 N ASP A 86 8.401 10.683 -7.258 1.00 0.00 N ATOM 1322 CA ASP A 86 8.280 9.201 -7.110 1.00 0.00 C ATOM 1323 C ASP A 86 9.413 8.507 -7.874 1.00 0.00 C ATOM 1324 O ASP A 86 10.071 7.631 -7.350 1.00 0.00 O ATOM 1325 CB ASP A 86 6.932 8.730 -7.658 1.00 0.00 C ATOM 1326 CG ASP A 86 6.599 7.352 -7.082 1.00 0.00 C ATOM 1327 OD1 ASP A 86 7.269 6.945 -6.149 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.680 6.728 -7.586 1.00 0.00 O ATOM 0 H ASP A 86 8.888 11.150 -6.493 1.00 0.00 H new ATOM 0 HA ASP A 86 8.348 8.945 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.151 9.444 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.967 8.682 -8.746 1.00 0.00 H new ATOM 1333 N LEU A 87 9.625 8.882 -9.112 1.00 0.00 N ATOM 1334 CA LEU A 87 10.700 8.246 -9.935 1.00 0.00 C ATOM 1335 C LEU A 87 11.894 7.864 -9.056 1.00 0.00 C ATOM 1336 O LEU A 87 12.369 6.747 -9.089 1.00 0.00 O ATOM 1337 CB LEU A 87 11.162 9.239 -11.005 1.00 0.00 C ATOM 1338 CG LEU A 87 10.209 9.180 -12.200 1.00 0.00 C ATOM 1339 CD1 LEU A 87 9.685 10.584 -12.503 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.956 8.638 -13.421 1.00 0.00 C ATOM 0 H LEU A 87 9.094 9.609 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 87 10.303 7.344 -10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.185 10.248 -10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.177 9.001 -11.323 1.00 0.00 H new ATOM 0 HG LEU A 87 9.371 8.523 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.006 10.543 -13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.153 10.970 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.522 11.242 -12.738 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.278 8.596 -14.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.794 9.295 -13.656 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.329 7.637 -13.204 1.00 0.00 H new ATOM 1352 N ASP A 88 12.383 8.785 -8.273 1.00 0.00 N ATOM 1353 CA ASP A 88 13.547 8.478 -7.394 1.00 0.00 C ATOM 1354 C ASP A 88 13.296 7.165 -6.647 1.00 0.00 C ATOM 1355 O ASP A 88 14.086 6.245 -6.711 1.00 0.00 O ATOM 1356 CB ASP A 88 13.735 9.613 -6.385 1.00 0.00 C ATOM 1357 CG ASP A 88 14.968 10.435 -6.767 1.00 0.00 C ATOM 1358 OD1 ASP A 88 16.024 9.846 -6.923 1.00 0.00 O ATOM 1359 OD2 ASP A 88 14.834 11.641 -6.897 1.00 0.00 O ATOM 0 H ASP A 88 12.027 9.738 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 88 14.445 8.379 -8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.851 10.250 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.853 9.206 -5.381 1.00 0.00 H new ATOM 1364 N ALA A 89 12.205 7.069 -5.935 1.00 0.00 N ATOM 1365 CA ALA A 89 11.908 5.815 -5.185 1.00 0.00 C ATOM 1366 C ALA A 89 11.945 4.621 -6.142 1.00 0.00 C ATOM 1367 O ALA A 89 12.436 3.560 -5.809 1.00 0.00 O ATOM 1368 CB ALA A 89 10.519 5.918 -4.555 1.00 0.00 C ATOM 0 H ALA A 89 11.506 7.806 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 89 12.655 5.675 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.300 5.002 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.492 6.766 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.774 6.059 -5.338 1.00 0.00 H new ATOM 1374 N ALA A 90 11.428 4.782 -7.329 1.00 0.00 N ATOM 1375 CA ALA A 90 11.430 3.654 -8.303 1.00 0.00 C ATOM 1376 C ALA A 90 12.849 3.435 -8.839 1.00 0.00 C ATOM 1377 O ALA A 90 13.558 2.558 -8.389 1.00 0.00 O ATOM 1378 CB ALA A 90 10.491 3.984 -9.465 1.00 0.00 C ATOM 0 H ALA A 90 11.004 5.646 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 90 11.090 2.746 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.491 3.160 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.481 4.134 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.831 4.893 -9.961 1.00 0.00 H new ATOM 1384 N VAL A 91 13.250 4.215 -9.813 1.00 0.00 N ATOM 1385 CA VAL A 91 14.614 4.063 -10.411 1.00 0.00 C ATOM 1386 C VAL A 91 15.623 3.614 -9.347 1.00 0.00 C ATOM 1387 O VAL A 91 16.536 2.861 -9.622 1.00 0.00 O ATOM 1388 CB VAL A 91 15.057 5.410 -10.990 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.552 5.364 -11.320 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.262 5.699 -12.266 1.00 0.00 C ATOM 0 H VAL A 91 12.685 4.958 -10.224 1.00 0.00 H new ATOM 0 HA VAL A 91 14.574 3.308 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 91 14.874 6.197 -10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.863 6.324 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.119 5.157 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.739 4.578 -12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.575 6.657 -12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.446 4.910 -12.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.198 5.735 -12.031 1.00 0.00 H new ATOM 1400 N SER A 92 15.468 4.075 -8.136 1.00 0.00 N ATOM 1401 CA SER A 92 16.424 3.681 -7.061 1.00 0.00 C ATOM 1402 C SER A 92 15.816 2.566 -6.205 1.00 0.00 C ATOM 1403 O SER A 92 14.961 1.826 -6.649 1.00 0.00 O ATOM 1404 CB SER A 92 16.724 4.892 -6.179 1.00 0.00 C ATOM 1405 OG SER A 92 18.132 5.053 -6.067 1.00 0.00 O ATOM 0 H SER A 92 14.722 4.707 -7.844 1.00 0.00 H new ATOM 0 HA SER A 92 17.346 3.321 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.277 5.789 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.282 4.756 -5.192 1.00 0.00 H new ATOM 0 HG SER A 92 18.329 5.830 -5.503 1.00 0.00 H new ATOM 1411 N ALA A 93 16.254 2.441 -4.982 1.00 0.00 N ATOM 1412 CA ALA A 93 15.705 1.375 -4.096 1.00 0.00 C ATOM 1413 C ALA A 93 15.894 0.011 -4.763 1.00 0.00 C ATOM 1414 O ALA A 93 14.963 -0.570 -5.284 1.00 0.00 O ATOM 1415 CB ALA A 93 14.215 1.628 -3.858 1.00 0.00 C ATOM 0 H ALA A 93 16.969 3.032 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 93 16.231 1.387 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.813 0.849 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.082 2.600 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.687 1.616 -4.811 1.00 0.00 H new ATOM 1421 N TYR A 94 17.095 -0.504 -4.755 1.00 0.00 N ATOM 1422 CA TYR A 94 17.344 -1.828 -5.392 1.00 0.00 C ATOM 1423 C TYR A 94 16.982 -1.753 -6.878 1.00 0.00 C ATOM 1424 O TYR A 94 17.808 -1.438 -7.712 1.00 0.00 O ATOM 1425 CB TYR A 94 16.486 -2.895 -4.709 1.00 0.00 C ATOM 1426 CG TYR A 94 17.360 -3.765 -3.838 1.00 0.00 C ATOM 1427 CD1 TYR A 94 18.314 -4.608 -4.422 1.00 0.00 C ATOM 1428 CD2 TYR A 94 17.216 -3.733 -2.446 1.00 0.00 C ATOM 1429 CE1 TYR A 94 19.121 -5.418 -3.615 1.00 0.00 C ATOM 1430 CE2 TYR A 94 18.024 -4.543 -1.638 1.00 0.00 C ATOM 1431 CZ TYR A 94 18.976 -5.386 -2.223 1.00 0.00 C ATOM 1432 OH TYR A 94 19.771 -6.186 -1.427 1.00 0.00 O ATOM 0 H TYR A 94 17.914 -0.064 -4.335 1.00 0.00 H new ATOM 0 HA TYR A 94 18.397 -2.090 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 94 15.711 -2.422 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.980 -3.504 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.427 -4.633 -5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.481 -3.083 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.856 -6.068 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.913 -4.517 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 94 19.542 -6.041 -0.485 1.00 0.00 H new ATOM 1442 N GLN A 95 15.754 -2.035 -7.218 1.00 0.00 N ATOM 1443 CA GLN A 95 15.346 -1.973 -8.649 1.00 0.00 C ATOM 1444 C GLN A 95 15.975 -3.139 -9.417 1.00 0.00 C ATOM 1445 O GLN A 95 17.126 -3.478 -9.218 1.00 0.00 O ATOM 1446 CB GLN A 95 15.819 -0.648 -9.254 1.00 0.00 C ATOM 1447 CG GLN A 95 14.614 0.145 -9.762 1.00 0.00 C ATOM 1448 CD GLN A 95 14.050 -0.527 -11.015 1.00 0.00 C ATOM 1449 OE1 GLN A 95 13.225 -1.415 -10.924 1.00 0.00 O ATOM 1450 NE2 GLN A 95 14.461 -0.137 -12.192 1.00 0.00 N ATOM 0 H GLN A 95 15.017 -2.305 -6.567 1.00 0.00 H new ATOM 0 HA GLN A 95 14.260 -2.041 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 95 16.359 -0.068 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.513 -0.838 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.848 0.197 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.909 1.170 -9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.153 0.608 -12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.090 -0.578 -13.034 1.00 0.00 H new ATOM 1459 N GLN A 96 15.230 -3.753 -10.295 1.00 0.00 N ATOM 1460 CA GLN A 96 15.783 -4.893 -11.081 1.00 0.00 C ATOM 1461 C GLN A 96 15.170 -4.885 -12.484 1.00 0.00 C ATOM 1462 O GLN A 96 15.858 -4.716 -13.471 1.00 0.00 O ATOM 1463 CB GLN A 96 15.443 -6.213 -10.381 1.00 0.00 C ATOM 1464 CG GLN A 96 16.334 -6.384 -9.147 1.00 0.00 C ATOM 1465 CD GLN A 96 16.536 -7.874 -8.863 1.00 0.00 C ATOM 1466 OE1 GLN A 96 17.117 -8.584 -9.661 1.00 0.00 O ATOM 1467 NE2 GLN A 96 16.081 -8.382 -7.750 1.00 0.00 N ATOM 0 H GLN A 96 14.260 -3.514 -10.503 1.00 0.00 H new ATOM 0 HA GLN A 96 16.866 -4.793 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.393 -6.221 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.589 -7.048 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.297 -5.901 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.877 -5.898 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.593 -7.787 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.213 -9.374 -7.550 1.00 0.00 H new ATOM 1476 N GLY A 97 13.879 -5.061 -12.580 1.00 0.00 N ATOM 1477 CA GLY A 97 13.223 -5.058 -13.919 1.00 0.00 C ATOM 1478 C GLY A 97 11.769 -5.518 -13.782 1.00 0.00 C ATOM 1479 O GLY A 97 11.328 -6.420 -14.463 1.00 0.00 O ATOM 0 H GLY A 97 13.251 -5.207 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.259 -4.058 -14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.761 -5.718 -14.600 1.00 0.00 H new ATOM 1483 N ALA A 98 11.021 -4.903 -12.905 1.00 0.00 N ATOM 1484 CA ALA A 98 9.596 -5.305 -12.726 1.00 0.00 C ATOM 1485 C ALA A 98 8.750 -4.063 -12.437 1.00 0.00 C ATOM 1486 O ALA A 98 7.845 -4.092 -11.626 1.00 0.00 O ATOM 1487 CB ALA A 98 9.485 -6.283 -11.554 1.00 0.00 C ATOM 0 H ALA A 98 11.335 -4.140 -12.305 1.00 0.00 H new ATOM 0 HA ALA A 98 9.236 -5.787 -13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.444 -6.577 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.089 -7.167 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.844 -5.802 -10.644 1.00 0.00 H new ATOM 1493 N PHE A 99 9.039 -2.970 -13.090 1.00 0.00 N ATOM 1494 CA PHE A 99 8.253 -1.727 -12.851 1.00 0.00 C ATOM 1495 C PHE A 99 7.597 -1.269 -14.157 1.00 0.00 C ATOM 1496 O PHE A 99 8.248 -0.742 -15.037 1.00 0.00 O ATOM 1497 CB PHE A 99 9.187 -0.628 -12.338 1.00 0.00 C ATOM 1498 CG PHE A 99 9.202 -0.642 -10.829 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.980 -1.584 -10.145 1.00 0.00 C ATOM 1500 CD2 PHE A 99 8.438 0.286 -10.113 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.994 -1.598 -8.746 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.451 0.272 -8.712 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.229 -0.670 -8.030 1.00 0.00 C ATOM 0 H PHE A 99 9.786 -2.885 -13.779 1.00 0.00 H new ATOM 0 HA PHE A 99 7.478 -1.927 -12.111 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.195 -0.784 -12.723 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.854 0.345 -12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.570 -2.300 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.838 1.013 -10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.595 -2.324 -8.219 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.861 0.988 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.239 -0.681 -6.950 1.00 0.00 H new ATOM 1513 N ASP A 100 6.313 -1.462 -14.287 1.00 0.00 N ATOM 1514 CA ASP A 100 5.617 -1.033 -15.534 1.00 0.00 C ATOM 1515 C ASP A 100 5.747 0.488 -15.686 1.00 0.00 C ATOM 1516 O ASP A 100 6.787 1.054 -15.420 1.00 0.00 O ATOM 1517 CB ASP A 100 4.139 -1.422 -15.450 1.00 0.00 C ATOM 1518 CG ASP A 100 3.595 -1.687 -16.856 1.00 0.00 C ATOM 1519 OD1 ASP A 100 4.367 -1.589 -17.796 1.00 0.00 O ATOM 1520 OD2 ASP A 100 2.417 -1.982 -16.969 1.00 0.00 O ATOM 0 H ASP A 100 5.716 -1.898 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 100 6.068 -1.523 -16.397 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.022 -2.311 -14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.569 -0.624 -14.974 1.00 0.00 H new ATOM 1525 N TYR A 101 4.703 1.153 -16.110 1.00 0.00 N ATOM 1526 CA TYR A 101 4.773 2.633 -16.277 1.00 0.00 C ATOM 1527 C TYR A 101 3.520 3.110 -17.017 1.00 0.00 C ATOM 1528 O TYR A 101 3.540 3.335 -18.210 1.00 0.00 O ATOM 1529 CB TYR A 101 6.023 2.996 -17.089 1.00 0.00 C ATOM 1530 CG TYR A 101 7.015 3.747 -16.223 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.053 3.535 -14.837 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.902 4.656 -16.814 1.00 0.00 C ATOM 1533 CE1 TYR A 101 7.975 4.234 -14.047 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.824 5.353 -16.022 1.00 0.00 C ATOM 1535 CZ TYR A 101 8.860 5.142 -14.639 1.00 0.00 C ATOM 1536 OH TYR A 101 9.768 5.829 -13.860 1.00 0.00 O ATOM 0 H TYR A 101 3.804 0.733 -16.348 1.00 0.00 H new ATOM 0 HA TYR A 101 4.828 3.115 -15.301 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.485 2.090 -17.481 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.743 3.608 -17.946 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.372 2.833 -14.379 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.875 4.820 -17.881 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.003 4.072 -12.980 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.507 6.053 -16.479 1.00 0.00 H new ATOM 0 HH TYR A 101 10.663 5.746 -14.250 1.00 0.00 H new ATOM 1546 N LEU A 102 2.428 3.257 -16.317 1.00 0.00 N ATOM 1547 CA LEU A 102 1.172 3.710 -16.984 1.00 0.00 C ATOM 1548 C LEU A 102 1.208 5.228 -17.180 1.00 0.00 C ATOM 1549 O LEU A 102 1.517 5.965 -16.265 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.031 3.342 -16.110 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.987 2.452 -16.906 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.362 1.071 -17.095 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.307 2.312 -16.143 1.00 0.00 C ATOM 0 H LEU A 102 2.350 3.084 -15.315 1.00 0.00 H new ATOM 0 HA LEU A 102 1.085 3.221 -17.954 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.304 2.822 -15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.546 4.245 -15.782 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.174 2.902 -17.881 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.044 0.438 -17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.579 1.168 -17.637 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.174 0.620 -16.121 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.989 1.678 -16.709 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.118 1.862 -15.168 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.755 3.296 -16.007 1.00 0.00 H new ATOM 1565 N PRO A 103 0.881 5.647 -18.376 1.00 0.00 N ATOM 1566 CA PRO A 103 0.882 7.101 -18.651 1.00 0.00 C ATOM 1567 C PRO A 103 -0.557 7.624 -18.731 1.00 0.00 C ATOM 1568 O PRO A 103 -1.146 7.988 -17.732 1.00 0.00 O ATOM 1569 CB PRO A 103 1.584 7.234 -20.002 1.00 0.00 C ATOM 1570 CG PRO A 103 1.439 5.868 -20.700 1.00 0.00 C ATOM 1571 CD PRO A 103 1.140 4.843 -19.594 1.00 0.00 C ATOM 0 HA PRO A 103 1.381 7.677 -17.871 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.132 8.026 -20.599 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.634 7.494 -19.871 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.635 5.891 -21.435 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.352 5.607 -21.235 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.277 4.228 -19.850 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.982 4.166 -19.447 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.126 7.660 -19.908 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.525 8.155 -20.054 1.00 0.00 C ATOM 1581 C LYS A 104 -2.778 8.532 -21.520 1.00 0.00 C ATOM 1582 O LYS A 104 -1.872 8.969 -22.203 1.00 0.00 O ATOM 1583 CB LYS A 104 -2.732 9.388 -19.171 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.646 9.027 -17.998 1.00 0.00 C ATOM 1585 CD LYS A 104 -4.434 10.263 -17.562 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.676 10.985 -16.447 1.00 0.00 C ATOM 1587 NZ LYS A 104 -2.490 11.679 -17.023 1.00 0.00 N ATOM 0 H LYS A 104 -0.679 7.367 -20.777 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.219 7.372 -19.749 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.772 9.749 -18.801 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.173 10.196 -19.754 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.331 8.231 -18.289 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.053 8.649 -17.165 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.579 10.932 -18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.425 9.971 -17.213 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.330 11.706 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.360 10.271 -15.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.246 12.499 -16.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.684 11.022 -17.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.711 12.001 -17.987 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.000 8.356 -21.968 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.061 7.819 -21.083 1.00 0.00 C ATOM 1603 C PRO A 105 -4.979 6.290 -21.018 1.00 0.00 C ATOM 1604 O PRO A 105 -4.240 5.667 -21.756 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.368 8.261 -21.745 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.036 8.517 -23.227 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.515 8.737 -23.305 1.00 0.00 C ATOM 0 HA PRO A 105 -4.973 8.179 -20.058 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.134 7.492 -21.645 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.758 9.163 -21.272 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.337 7.670 -23.843 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.573 9.389 -23.599 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.068 8.125 -24.089 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.278 9.775 -23.537 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.728 5.681 -20.140 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.691 4.195 -20.028 1.00 0.00 C ATOM 1617 C PHE A 106 -7.058 3.681 -19.566 1.00 0.00 C ATOM 1618 O PHE A 106 -7.686 4.257 -18.701 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.626 3.791 -19.007 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.049 4.244 -17.629 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.823 3.401 -16.824 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -4.668 5.506 -17.156 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.217 3.818 -15.547 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.062 5.923 -15.878 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.837 5.078 -15.074 1.00 0.00 C ATOM 0 H PHE A 106 -6.365 6.149 -19.495 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.451 3.763 -21.000 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.487 2.710 -19.019 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.667 4.238 -19.270 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.117 2.428 -17.188 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.071 6.158 -17.776 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.815 3.166 -14.927 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.768 6.896 -15.513 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.141 5.399 -14.089 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.523 2.597 -20.131 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.841 2.051 -19.715 1.00 0.00 C ATOM 1637 C ASP A 107 -8.682 1.330 -18.375 1.00 0.00 C ATOM 1638 O ASP A 107 -7.584 1.127 -17.899 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.338 1.065 -20.770 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.858 0.929 -20.668 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.463 1.754 -20.004 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.391 0.000 -21.253 1.00 0.00 O ATOM 0 H ASP A 107 -7.045 2.070 -20.861 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.561 2.862 -19.612 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.060 1.411 -21.766 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.865 0.094 -20.626 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.764 0.945 -17.758 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.659 0.249 -16.447 1.00 0.00 C ATOM 1649 C ILE A 108 -9.415 -1.240 -16.668 1.00 0.00 C ATOM 1650 O ILE A 108 -8.432 -1.791 -16.215 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.962 0.442 -15.671 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -11.284 1.937 -15.590 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.812 -0.126 -14.259 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.295 2.620 -14.643 1.00 0.00 C ATOM 0 H ILE A 108 -10.714 1.082 -18.104 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.826 0.666 -15.881 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.770 -0.081 -16.183 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.225 2.387 -16.581 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.304 2.082 -15.234 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.743 0.014 -13.710 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.581 -1.190 -14.317 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.004 0.393 -13.742 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.523 3.684 -14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.376 2.176 -13.651 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.280 2.487 -15.018 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.296 -1.899 -17.362 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.103 -3.346 -17.609 1.00 0.00 C ATOM 1668 C ASP A 109 -8.840 -3.531 -18.433 1.00 0.00 C ATOM 1669 O ASP A 109 -8.010 -4.360 -18.139 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.302 -3.870 -18.384 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.270 -5.399 -18.427 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -11.297 -6.002 -17.367 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.218 -5.940 -19.519 1.00 0.00 O ATOM 0 H ASP A 109 -11.141 -1.496 -17.768 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.010 -3.889 -16.668 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.225 -3.530 -17.915 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.294 -3.469 -19.398 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.677 -2.756 -19.458 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.450 -2.887 -20.276 1.00 0.00 C ATOM 1680 C GLU A 110 -6.251 -2.938 -19.330 1.00 0.00 C ATOM 1681 O GLU A 110 -5.302 -3.668 -19.545 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.331 -1.677 -21.199 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.044 -1.775 -22.019 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.043 -3.080 -22.818 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -7.023 -3.334 -23.499 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.064 -3.802 -22.734 1.00 0.00 O ATOM 0 H GLU A 110 -9.336 -2.040 -19.765 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.486 -3.793 -20.882 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.194 -1.629 -21.864 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.330 -0.759 -20.612 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.965 -0.923 -22.694 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.177 -1.740 -21.359 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.293 -2.168 -18.269 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.176 -2.167 -17.301 1.00 0.00 C ATOM 1695 C ALA A 111 -5.225 -3.442 -16.450 1.00 0.00 C ATOM 1696 O ALA A 111 -4.408 -4.324 -16.606 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.323 -0.936 -16.413 1.00 0.00 C ATOM 0 H ALA A 111 -7.063 -1.540 -18.040 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.219 -2.140 -17.823 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.509 -0.911 -15.688 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.288 -0.037 -17.029 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.277 -0.979 -15.887 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.152 -3.531 -15.527 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.222 -4.735 -14.646 1.00 0.00 C ATOM 1705 C VAL A 112 -5.917 -6.005 -15.447 1.00 0.00 C ATOM 1706 O VAL A 112 -5.044 -6.770 -15.106 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.636 -4.833 -14.062 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.842 -6.211 -13.426 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.818 -3.755 -12.991 1.00 0.00 C ATOM 0 H VAL A 112 -6.862 -2.821 -15.347 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.485 -4.641 -13.849 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.364 -4.690 -14.861 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.849 -6.274 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.711 -6.984 -14.183 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.113 -6.357 -12.629 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.823 -3.822 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.085 -3.903 -12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.676 -2.771 -13.437 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.654 -6.236 -16.497 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.445 -7.456 -17.331 1.00 0.00 C ATOM 1721 C ALA A 113 -5.025 -7.489 -17.910 1.00 0.00 C ATOM 1722 O ALA A 113 -4.216 -8.318 -17.534 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.454 -7.453 -18.481 1.00 0.00 C ATOM 0 H ALA A 113 -7.403 -5.623 -16.818 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.584 -8.335 -16.702 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -7.308 -8.341 -19.095 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.466 -7.454 -18.077 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.308 -6.562 -19.091 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.732 -6.612 -18.845 1.00 0.00 N ATOM 1730 CA LEU A 114 -3.381 -6.596 -19.479 1.00 0.00 C ATOM 1731 C LEU A 114 -2.316 -6.985 -18.452 1.00 0.00 C ATOM 1732 O LEU A 114 -1.585 -7.938 -18.628 1.00 0.00 O ATOM 1733 CB LEU A 114 -3.114 -5.185 -20.000 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.677 -5.070 -20.527 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.712 -4.875 -19.357 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -1.298 -6.341 -21.291 1.00 0.00 C ATOM 0 H LEU A 114 -5.378 -5.904 -19.195 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.344 -7.312 -20.300 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.820 -4.945 -20.795 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.274 -4.460 -19.202 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.614 -4.213 -21.198 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.307 -4.794 -19.735 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.973 -3.964 -18.818 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.781 -5.728 -18.682 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.277 -6.252 -21.662 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.368 -7.201 -20.625 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.979 -6.477 -22.131 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.237 -6.259 -17.375 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.240 -6.587 -16.324 1.00 0.00 C ATOM 1750 C VAL A 115 -1.420 -8.056 -15.915 1.00 0.00 C ATOM 1751 O VAL A 115 -0.481 -8.827 -15.900 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.447 -5.634 -15.125 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -2.033 -6.373 -13.921 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.101 -5.023 -14.730 1.00 0.00 C ATOM 0 H VAL A 115 -2.824 -5.448 -17.177 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.223 -6.455 -16.693 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.148 -4.855 -15.425 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.166 -5.674 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.997 -6.803 -14.192 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.354 -7.169 -13.617 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.241 -4.350 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.591 -5.817 -14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.307 -4.466 -15.573 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.627 -8.428 -15.568 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.913 -9.829 -15.137 1.00 0.00 C ATOM 1766 C GLU A 116 -2.038 -10.812 -15.913 1.00 0.00 C ATOM 1767 O GLU A 116 -1.401 -11.675 -15.343 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.386 -10.150 -15.413 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.890 -11.153 -14.374 1.00 0.00 C ATOM 1770 CD GLU A 116 -6.123 -11.879 -14.915 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -5.947 -12.868 -15.607 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -7.221 -11.435 -14.625 1.00 0.00 O ATOM 0 H GLU A 116 -3.438 -7.809 -15.566 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.698 -9.922 -14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.982 -9.238 -15.374 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.498 -10.561 -16.416 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.106 -11.873 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.138 -10.637 -13.446 1.00 0.00 H new ATOM 1779 N ARG A 117 -2.005 -10.692 -17.211 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.172 -11.626 -18.019 1.00 0.00 C ATOM 1781 C ARG A 117 0.274 -11.572 -17.529 1.00 0.00 C ATOM 1782 O ARG A 117 0.856 -12.579 -17.177 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.231 -11.226 -19.495 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.388 -11.962 -20.173 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.870 -11.153 -21.377 1.00 0.00 C ATOM 1786 NE ARG A 117 -4.343 -10.957 -21.284 1.00 0.00 N ATOM 1787 CZ ARG A 117 -5.018 -10.575 -22.332 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -5.096 -9.307 -22.632 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -5.617 -11.460 -23.080 1.00 0.00 N ATOM 0 H ARG A 117 -2.517 -9.990 -17.746 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.555 -12.640 -17.908 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.367 -10.148 -19.586 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.290 -11.471 -19.988 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.065 -12.953 -20.493 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.206 -12.105 -19.467 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.365 -10.188 -21.406 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.619 -11.672 -22.302 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.824 -11.122 -20.400 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -4.629 -8.615 -22.046 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.624 -9.008 -23.452 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -5.557 -12.451 -22.845 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.145 -11.161 -23.900 1.00 0.00 H new ATOM 1803 N ALA A 118 0.860 -10.408 -17.492 1.00 0.00 N ATOM 1804 CA ALA A 118 2.261 -10.313 -17.009 1.00 0.00 C ATOM 1805 C ALA A 118 2.358 -11.038 -15.668 1.00 0.00 C ATOM 1806 O ALA A 118 3.099 -11.982 -15.516 1.00 0.00 O ATOM 1807 CB ALA A 118 2.646 -8.843 -16.830 1.00 0.00 C ATOM 0 H ALA A 118 0.432 -9.526 -17.773 1.00 0.00 H new ATOM 0 HA ALA A 118 2.939 -10.768 -17.731 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.675 -8.777 -16.475 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.557 -8.325 -17.785 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.981 -8.379 -16.102 1.00 0.00 H new ATOM 1813 N ILE A 119 1.614 -10.585 -14.695 1.00 0.00 N ATOM 1814 CA ILE A 119 1.637 -11.214 -13.345 1.00 0.00 C ATOM 1815 C ILE A 119 1.784 -12.733 -13.454 1.00 0.00 C ATOM 1816 O ILE A 119 2.398 -13.366 -12.618 1.00 0.00 O ATOM 1817 CB ILE A 119 0.306 -10.921 -12.663 1.00 0.00 C ATOM 1818 CG1 ILE A 119 -0.055 -9.439 -12.817 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.402 -11.271 -11.176 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -1.218 -9.103 -11.879 1.00 0.00 C ATOM 0 H ILE A 119 0.980 -9.791 -14.782 1.00 0.00 H new ATOM 0 HA ILE A 119 2.479 -10.812 -12.782 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.470 -11.526 -13.132 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.808 -8.816 -12.583 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.332 -9.225 -13.849 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.551 -11.061 -10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.640 -12.329 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.186 -10.673 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.478 -8.050 -11.985 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.081 -9.718 -12.135 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.924 -9.302 -10.849 1.00 0.00 H new ATOM 1832 N SER A 120 1.192 -13.314 -14.464 1.00 0.00 N ATOM 1833 CA SER A 120 1.250 -14.800 -14.656 1.00 0.00 C ATOM 1834 C SER A 120 2.593 -15.378 -14.181 1.00 0.00 C ATOM 1835 O SER A 120 2.670 -16.532 -13.810 1.00 0.00 O ATOM 1836 CB SER A 120 1.066 -15.114 -16.141 1.00 0.00 C ATOM 1837 OG SER A 120 0.747 -16.491 -16.293 1.00 0.00 O ATOM 0 H SER A 120 0.661 -12.816 -15.178 1.00 0.00 H new ATOM 0 HA SER A 120 0.457 -15.255 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.271 -14.496 -16.560 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.977 -14.877 -16.690 1.00 0.00 H new ATOM 0 HG SER A 120 0.627 -16.696 -17.244 1.00 0.00 H new ATOM 1843 N HIS A 121 3.643 -14.598 -14.207 1.00 0.00 N ATOM 1844 CA HIS A 121 4.979 -15.094 -13.774 1.00 0.00 C ATOM 1845 C HIS A 121 5.655 -15.755 -14.967 1.00 0.00 C ATOM 1846 O HIS A 121 6.321 -16.764 -14.841 1.00 0.00 O ATOM 1847 CB HIS A 121 4.839 -16.103 -12.630 1.00 0.00 C ATOM 1848 CG HIS A 121 6.092 -16.088 -11.800 1.00 0.00 C ATOM 1849 ND1 HIS A 121 6.654 -17.246 -11.286 1.00 0.00 N ATOM 1850 CD2 HIS A 121 6.907 -15.061 -11.388 1.00 0.00 C ATOM 1851 CE1 HIS A 121 7.756 -16.892 -10.600 1.00 0.00 C ATOM 1852 NE2 HIS A 121 7.957 -15.571 -10.630 1.00 0.00 N ATOM 0 H HIS A 121 3.629 -13.626 -14.515 1.00 0.00 H new ATOM 0 HA HIS A 121 5.578 -14.258 -13.413 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.977 -15.853 -12.012 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.666 -17.102 -13.030 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.756 -14.017 -11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.400 -17.591 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.716 -15.049 -10.192 1.00 0.00 H new ATOM 1860 N TYR A 122 5.499 -15.169 -16.124 1.00 0.00 N ATOM 1861 CA TYR A 122 6.126 -15.710 -17.345 1.00 0.00 C ATOM 1862 C TYR A 122 6.091 -17.240 -17.315 1.00 0.00 C ATOM 1863 O TYR A 122 7.076 -17.894 -17.032 1.00 0.00 O ATOM 1864 CB TYR A 122 7.558 -15.199 -17.405 1.00 0.00 C ATOM 1865 CG TYR A 122 7.645 -13.837 -16.744 1.00 0.00 C ATOM 1866 CD1 TYR A 122 6.777 -12.806 -17.136 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.594 -13.605 -15.739 1.00 0.00 C ATOM 1868 CE1 TYR A 122 6.862 -11.549 -16.523 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.677 -12.349 -15.130 1.00 0.00 C ATOM 1870 CZ TYR A 122 7.813 -11.321 -15.522 1.00 0.00 C ATOM 1871 OH TYR A 122 7.897 -10.082 -14.919 1.00 0.00 O ATOM 0 H TYR A 122 4.950 -14.321 -16.268 1.00 0.00 H new ATOM 0 HA TYR A 122 5.584 -15.384 -18.233 1.00 0.00 H new ATOM 0 HB2 TYR A 122 8.225 -15.900 -16.904 1.00 0.00 H new ATOM 0 HB3 TYR A 122 7.887 -15.132 -18.442 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.044 -12.981 -17.910 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.262 -14.397 -15.435 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.193 -10.756 -16.823 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.409 -12.172 -14.356 1.00 0.00 H new ATOM 0 HH TYR A 122 8.609 -10.094 -14.245 1.00 0.00 H new ATOM 1881 N GLN A 123 4.951 -17.811 -17.601 1.00 0.00 N ATOM 1882 CA GLN A 123 4.822 -19.296 -17.587 1.00 0.00 C ATOM 1883 C GLN A 123 5.075 -19.847 -18.994 1.00 0.00 C ATOM 1884 O GLN A 123 4.414 -20.766 -19.438 1.00 0.00 O ATOM 1885 CB GLN A 123 3.406 -19.674 -17.144 1.00 0.00 C ATOM 1886 CG GLN A 123 3.453 -20.352 -15.774 1.00 0.00 C ATOM 1887 CD GLN A 123 2.565 -21.597 -15.794 1.00 0.00 C ATOM 1888 OE1 GLN A 123 2.779 -22.499 -16.580 1.00 0.00 O ATOM 1889 NE2 GLN A 123 1.565 -21.684 -14.959 1.00 0.00 N ATOM 0 H GLN A 123 4.098 -17.308 -17.845 1.00 0.00 H new ATOM 0 HA GLN A 123 5.551 -19.718 -16.895 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.780 -18.783 -17.097 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.953 -20.343 -17.875 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.478 -20.627 -15.527 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.113 -19.661 -15.002 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.384 -20.928 -14.299 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.964 -22.508 -14.967 1.00 0.00 H new ATOM 1898 N GLU A 124 6.023 -19.294 -19.700 1.00 0.00 N ATOM 1899 CA GLU A 124 6.312 -19.787 -21.077 1.00 0.00 C ATOM 1900 C GLU A 124 6.371 -21.316 -21.073 1.00 0.00 C ATOM 1901 O GLU A 124 5.390 -21.930 -21.458 1.00 0.00 O ATOM 1902 CB GLU A 124 7.655 -19.225 -21.549 1.00 0.00 C ATOM 1903 CG GLU A 124 8.655 -19.254 -20.392 1.00 0.00 C ATOM 1904 CD GLU A 124 9.983 -19.837 -20.877 1.00 0.00 C ATOM 1905 OE1 GLU A 124 9.959 -20.914 -21.451 1.00 0.00 O ATOM 1906 OE2 GLU A 124 11.001 -19.198 -20.668 1.00 0.00 O ATOM 1907 OXT GLU A 124 7.398 -21.848 -20.683 1.00 0.00 O ATOM 0 H GLU A 124 6.610 -18.522 -19.383 1.00 0.00 H new ATOM 0 HA GLU A 124 5.522 -19.458 -21.752 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.033 -19.813 -22.386 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.528 -18.204 -21.908 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.808 -18.247 -20.005 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.261 -19.854 -19.572 1.00 0.00 H new