USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 76 THR OG1 : rot 179:sc= -0.459 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.643 K(o=-1.1,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -90:sc= -0.448 USER MOD Single : A 20 GLN : amide:sc= -0.0857 K(o=-0.086,f=-0.95) USER MOD Single : A 26 ASN : amide:sc= -2.09! X(o=-2.1!,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.452 (180deg=-0.538) USER MOD Single : A 31 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 0.272 (180deg=-0.35) USER MOD Single : A 38 TYR OH : rot 136:sc= 0.0225 USER MOD Single : A 41 MET CE :methyl 154:sc= -2.16 (180deg=-3.71!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.52) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -137:sc= 0.793 USER MOD Single : A 56 MET CE :methyl -117:sc= -1.66 (180deg=-4.25!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 171:sc= -0.0407 (180deg=-0.194) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -3.11! C(o=-3.1!,f=-7.7!) USER MOD Single : A 68 GLN : amide:sc= -8.11! C(o=-8.1!,f=-3.4!) USER MOD Single : A 70 GLN : amide:sc= 0.0144 K(o=0.014,f=-0.82) USER MOD Single : A 74 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-0.054) USER MOD Single : A 82 ASN : amide:sc= -0.213 K(o=-0.21,f=-2!) USER MOD Single : A 85 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.02) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -30:sc= -2.85 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.141! K(o=-0.14!,f=-0.86) USER MOD Single : A 100 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.127 K(o=-0.13,f=-1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 24:sc= 1.21 USER MOD Single : A 108 SER OG : rot -45:sc= 1.2 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.218 -9.700 -25.100 1.00 0.00 N ATOM 2 CA GLY A 1 9.756 -8.330 -25.245 1.00 0.00 C ATOM 3 C GLY A 1 10.895 -7.338 -25.000 1.00 0.00 C ATOM 4 O GLY A 1 11.833 -7.257 -25.791 1.00 0.00 O ATOM 0 H1 GLY A 1 9.427 -10.353 -25.271 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.975 -9.886 -25.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.583 -9.843 -24.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.350 -8.183 -26.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.945 -8.139 -24.542 1.00 0.00 H new ATOM 8 N SER A 2 10.774 -6.608 -23.901 1.00 0.00 N ATOM 9 CA SER A 2 11.782 -5.625 -23.542 1.00 0.00 C ATOM 10 C SER A 2 11.367 -4.893 -22.263 1.00 0.00 C ATOM 11 O SER A 2 10.196 -4.909 -21.887 1.00 0.00 O ATOM 12 CB SER A 2 12.005 -4.624 -24.677 1.00 0.00 C ATOM 13 OG SER A 2 13.389 -4.425 -24.950 1.00 0.00 O ATOM 0 H SER A 2 9.994 -6.677 -23.248 1.00 0.00 H new ATOM 0 HA SER A 2 12.722 -6.148 -23.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.506 -4.980 -25.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.547 -3.671 -24.415 1.00 0.00 H new ATOM 0 HG SER A 2 13.489 -3.781 -25.682 1.00 0.00 H new ATOM 19 N SER A 3 12.351 -4.270 -21.631 1.00 0.00 N ATOM 20 CA SER A 3 12.102 -3.534 -20.403 1.00 0.00 C ATOM 21 C SER A 3 12.569 -2.086 -20.557 1.00 0.00 C ATOM 22 O SER A 3 13.726 -1.770 -20.285 1.00 0.00 O ATOM 23 CB SER A 3 12.804 -4.194 -19.214 1.00 0.00 C ATOM 24 OG SER A 3 11.929 -4.357 -18.101 1.00 0.00 O ATOM 0 H SER A 3 13.321 -4.260 -21.946 1.00 0.00 H new ATOM 0 HA SER A 3 11.029 -3.544 -20.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.191 -5.167 -19.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.660 -3.588 -18.917 1.00 0.00 H new ATOM 0 HG SER A 3 12.414 -4.783 -17.363 1.00 0.00 H new ATOM 30 N GLY A 4 11.644 -1.243 -20.994 1.00 0.00 N ATOM 31 CA GLY A 4 11.947 0.165 -21.188 1.00 0.00 C ATOM 32 C GLY A 4 11.079 1.042 -20.282 1.00 0.00 C ATOM 33 O GLY A 4 11.590 1.710 -19.384 1.00 0.00 O ATOM 0 H GLY A 4 10.685 -1.508 -21.219 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.000 0.347 -20.975 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.781 0.436 -22.231 1.00 0.00 H new ATOM 37 N SER A 5 9.782 1.012 -20.550 1.00 0.00 N ATOM 38 CA SER A 5 8.838 1.795 -19.771 1.00 0.00 C ATOM 39 C SER A 5 9.218 3.276 -19.825 1.00 0.00 C ATOM 40 O SER A 5 10.034 3.741 -19.030 1.00 0.00 O ATOM 41 CB SER A 5 8.787 1.313 -18.320 1.00 0.00 C ATOM 42 OG SER A 5 7.853 0.252 -18.143 1.00 0.00 O ATOM 0 H SER A 5 9.362 0.457 -21.296 1.00 0.00 H new ATOM 0 HA SER A 5 7.846 1.664 -20.203 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.778 0.978 -18.014 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.517 2.146 -17.671 1.00 0.00 H new ATOM 0 HG SER A 5 7.851 -0.029 -17.204 1.00 0.00 H new ATOM 48 N SER A 6 8.609 3.977 -20.770 1.00 0.00 N ATOM 49 CA SER A 6 8.873 5.396 -20.937 1.00 0.00 C ATOM 50 C SER A 6 8.065 6.203 -19.919 1.00 0.00 C ATOM 51 O SER A 6 7.201 5.657 -19.235 1.00 0.00 O ATOM 52 CB SER A 6 8.543 5.853 -22.360 1.00 0.00 C ATOM 53 OG SER A 6 7.202 5.538 -22.724 1.00 0.00 O ATOM 0 H SER A 6 7.933 3.589 -21.428 1.00 0.00 H new ATOM 0 HA SER A 6 9.935 5.569 -20.766 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.697 6.929 -22.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.230 5.379 -23.061 1.00 0.00 H new ATOM 0 HG SER A 6 7.030 5.847 -23.638 1.00 0.00 H new ATOM 59 N GLY A 7 8.375 7.489 -19.851 1.00 0.00 N ATOM 60 CA GLY A 7 7.689 8.376 -18.928 1.00 0.00 C ATOM 61 C GLY A 7 8.685 9.103 -18.022 1.00 0.00 C ATOM 62 O GLY A 7 9.788 8.612 -17.787 1.00 0.00 O ATOM 0 H GLY A 7 9.092 7.938 -20.420 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.102 9.105 -19.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.990 7.803 -18.319 1.00 0.00 H new ATOM 66 N PRO A 8 8.250 10.292 -17.526 1.00 0.00 N ATOM 67 CA PRO A 8 9.091 11.091 -16.652 1.00 0.00 C ATOM 68 C PRO A 8 9.151 10.488 -15.247 1.00 0.00 C ATOM 69 O PRO A 8 8.496 9.485 -14.970 1.00 0.00 O ATOM 70 CB PRO A 8 8.475 12.481 -16.676 1.00 0.00 C ATOM 71 CG PRO A 8 7.055 12.299 -17.187 1.00 0.00 C ATOM 72 CD PRO A 8 6.950 10.905 -17.784 1.00 0.00 C ATOM 0 HA PRO A 8 10.129 11.124 -16.982 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.478 12.927 -15.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.041 13.148 -17.326 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.338 12.422 -16.375 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.819 13.054 -17.937 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.145 10.335 -17.320 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.737 10.947 -18.852 1.00 0.00 H new ATOM 80 N ASP A 9 9.943 11.125 -14.397 1.00 0.00 N ATOM 81 CA ASP A 9 10.098 10.664 -13.028 1.00 0.00 C ATOM 82 C ASP A 9 9.518 11.710 -12.074 1.00 0.00 C ATOM 83 O ASP A 9 10.211 12.646 -11.678 1.00 0.00 O ATOM 84 CB ASP A 9 11.573 10.469 -12.676 1.00 0.00 C ATOM 85 CG ASP A 9 11.952 9.053 -12.237 1.00 0.00 C ATOM 86 OD1 ASP A 9 11.021 8.226 -12.126 1.00 0.00 O ATOM 87 OD2 ASP A 9 13.163 8.829 -12.023 1.00 0.00 O ATOM 0 H ASP A 9 10.485 11.957 -14.630 1.00 0.00 H new ATOM 0 HA ASP A 9 9.576 9.712 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.176 10.738 -13.543 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.835 11.163 -11.877 1.00 0.00 H new ATOM 92 N VAL A 10 8.252 11.516 -11.732 1.00 0.00 N ATOM 93 CA VAL A 10 7.572 12.432 -10.832 1.00 0.00 C ATOM 94 C VAL A 10 6.638 11.638 -9.915 1.00 0.00 C ATOM 95 O VAL A 10 5.979 10.699 -10.358 1.00 0.00 O ATOM 96 CB VAL A 10 6.845 13.512 -11.635 1.00 0.00 C ATOM 97 CG1 VAL A 10 7.764 14.704 -11.908 1.00 0.00 C ATOM 98 CG2 VAL A 10 6.285 12.942 -12.940 1.00 0.00 C ATOM 0 H VAL A 10 7.680 10.738 -12.062 1.00 0.00 H new ATOM 0 HA VAL A 10 8.292 12.948 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 10 6.006 13.866 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.223 15.457 -12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.093 15.134 -10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.632 14.371 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.773 13.731 -13.491 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.102 12.548 -13.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.581 12.141 -12.715 1.00 0.00 H new ATOM 108 N ARG A 11 6.612 12.046 -8.655 1.00 0.00 N ATOM 109 CA ARG A 11 5.770 11.385 -7.672 1.00 0.00 C ATOM 110 C ARG A 11 5.257 12.397 -6.646 1.00 0.00 C ATOM 111 O ARG A 11 5.818 13.483 -6.506 1.00 0.00 O ATOM 112 CB ARG A 11 6.537 10.277 -6.947 1.00 0.00 C ATOM 113 CG ARG A 11 6.783 9.084 -7.872 1.00 0.00 C ATOM 114 CD ARG A 11 8.198 9.125 -8.454 1.00 0.00 C ATOM 115 NE ARG A 11 8.443 7.917 -9.273 1.00 0.00 N ATOM 116 CZ ARG A 11 8.675 6.699 -8.765 1.00 0.00 C ATOM 117 NH1 ARG A 11 8.694 6.519 -7.437 1.00 0.00 N ATOM 118 NH2 ARG A 11 8.887 5.660 -9.584 1.00 0.00 N ATOM 0 H ARG A 11 7.160 12.826 -8.292 1.00 0.00 H new ATOM 0 HA ARG A 11 4.927 10.941 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.490 10.665 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.974 9.953 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.640 8.155 -7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.053 9.090 -8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.324 10.020 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.930 9.183 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 11 8.435 8.018 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.532 7.309 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.871 5.592 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.872 5.796 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.064 4.733 -9.197 1.00 0.00 H new ATOM 132 N ARG A 12 4.198 12.005 -5.954 1.00 0.00 N ATOM 133 CA ARG A 12 3.603 12.864 -4.945 1.00 0.00 C ATOM 134 C ARG A 12 3.901 14.333 -5.256 1.00 0.00 C ATOM 135 O ARG A 12 4.544 15.020 -4.464 1.00 0.00 O ATOM 136 CB ARG A 12 4.136 12.527 -3.551 1.00 0.00 C ATOM 137 CG ARG A 12 5.664 12.454 -3.551 1.00 0.00 C ATOM 138 CD ARG A 12 6.245 13.122 -2.302 1.00 0.00 C ATOM 139 NE ARG A 12 7.178 12.197 -1.621 1.00 0.00 N ATOM 140 CZ ARG A 12 8.411 11.914 -2.063 1.00 0.00 C ATOM 141 NH1 ARG A 12 8.867 12.483 -3.187 1.00 0.00 N ATOM 142 NH2 ARG A 12 9.188 11.063 -1.380 1.00 0.00 N ATOM 0 H ARG A 12 3.736 11.103 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 12 2.526 12.697 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.805 13.282 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.723 11.574 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.982 11.412 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.055 12.942 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.766 14.039 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.440 13.405 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 12 6.863 11.747 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.276 13.132 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.806 12.267 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.841 10.631 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.127 10.847 -1.716 1.00 0.00 H new ATOM 156 N ASP A 13 3.418 14.770 -6.410 1.00 0.00 N ATOM 157 CA ASP A 13 3.625 16.144 -6.835 1.00 0.00 C ATOM 158 C ASP A 13 2.298 16.726 -7.325 1.00 0.00 C ATOM 159 O ASP A 13 1.953 17.859 -6.994 1.00 0.00 O ATOM 160 CB ASP A 13 4.629 16.219 -7.987 1.00 0.00 C ATOM 161 CG ASP A 13 5.116 17.628 -8.329 1.00 0.00 C ATOM 162 OD1 ASP A 13 4.402 18.303 -9.103 1.00 0.00 O ATOM 163 OD2 ASP A 13 6.190 17.999 -7.809 1.00 0.00 O ATOM 0 H ASP A 13 2.884 14.197 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 13 4.010 16.706 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.493 15.603 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.173 15.783 -8.876 1.00 0.00 H new ATOM 168 N LYS A 14 1.589 15.924 -8.107 1.00 0.00 N ATOM 169 CA LYS A 14 0.308 16.346 -8.647 1.00 0.00 C ATOM 170 C LYS A 14 -0.808 15.521 -8.002 1.00 0.00 C ATOM 171 O LYS A 14 -0.556 14.448 -7.457 1.00 0.00 O ATOM 172 CB LYS A 14 0.321 16.275 -10.175 1.00 0.00 C ATOM 173 CG LYS A 14 1.133 17.427 -10.771 1.00 0.00 C ATOM 174 CD LYS A 14 0.224 18.592 -11.166 1.00 0.00 C ATOM 175 CE LYS A 14 0.763 19.313 -12.403 1.00 0.00 C ATOM 176 NZ LYS A 14 0.325 18.623 -13.637 1.00 0.00 N ATOM 0 H LYS A 14 1.878 14.984 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 14 0.116 17.391 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.745 15.323 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.701 16.312 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.873 17.768 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.681 17.076 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.782 18.222 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.146 19.295 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.411 20.345 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.852 19.348 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.699 19.125 -14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.681 17.646 -13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.714 18.612 -13.679 1.00 0.00 H new ATOM 190 N PRO A 15 -2.050 16.069 -8.088 1.00 0.00 N ATOM 191 CA PRO A 15 -3.206 15.395 -7.520 1.00 0.00 C ATOM 192 C PRO A 15 -3.631 14.209 -8.388 1.00 0.00 C ATOM 193 O PRO A 15 -3.704 14.324 -9.610 1.00 0.00 O ATOM 194 CB PRO A 15 -4.276 16.470 -7.418 1.00 0.00 C ATOM 195 CG PRO A 15 -3.840 17.584 -8.356 1.00 0.00 C ATOM 196 CD PRO A 15 -2.386 17.338 -8.726 1.00 0.00 C ATOM 0 HA PRO A 15 -3.001 14.961 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.252 16.078 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.367 16.834 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.464 17.597 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.952 18.555 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.256 17.284 -9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.745 18.143 -8.368 1.00 0.00 H new ATOM 204 N VAL A 16 -3.900 13.096 -7.721 1.00 0.00 N ATOM 205 CA VAL A 16 -4.316 11.890 -8.416 1.00 0.00 C ATOM 206 C VAL A 16 -5.315 12.258 -9.515 1.00 0.00 C ATOM 207 O VAL A 16 -6.060 13.228 -9.382 1.00 0.00 O ATOM 208 CB VAL A 16 -4.875 10.876 -7.416 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.749 10.217 -6.617 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.897 11.530 -6.485 1.00 0.00 C ATOM 0 H VAL A 16 -3.838 13.004 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.462 11.414 -8.899 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.387 10.096 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.173 9.501 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.074 9.700 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.197 10.980 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.279 10.787 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.420 12.339 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.722 11.930 -7.074 1.00 0.00 H new ATOM 220 N THR A 17 -5.298 11.464 -10.576 1.00 0.00 N ATOM 221 CA THR A 17 -6.194 11.694 -11.697 1.00 0.00 C ATOM 222 C THR A 17 -6.894 10.394 -12.096 1.00 0.00 C ATOM 223 O THR A 17 -6.494 9.312 -11.668 1.00 0.00 O ATOM 224 CB THR A 17 -5.379 12.319 -12.832 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.302 12.407 -13.914 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.285 11.384 -13.351 1.00 0.00 C ATOM 0 H THR A 17 -4.678 10.661 -10.683 1.00 0.00 H new ATOM 0 HA THR A 17 -6.992 12.387 -11.430 1.00 0.00 H new ATOM 0 HB THR A 17 -4.928 13.249 -12.485 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.261 11.585 -14.447 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.737 11.876 -14.155 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.599 11.141 -12.540 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.739 10.468 -13.729 1.00 0.00 H new ATOM 234 N GLY A 18 -7.927 10.542 -12.912 1.00 0.00 N ATOM 235 CA GLY A 18 -8.687 9.393 -13.374 1.00 0.00 C ATOM 236 C GLY A 18 -7.766 8.206 -13.661 1.00 0.00 C ATOM 237 O GLY A 18 -8.130 7.058 -13.412 1.00 0.00 O ATOM 0 H GLY A 18 -8.256 11.441 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.423 9.113 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.239 9.656 -14.276 1.00 0.00 H new ATOM 241 N GLU A 19 -6.589 8.524 -14.182 1.00 0.00 N ATOM 242 CA GLU A 19 -5.613 7.498 -14.506 1.00 0.00 C ATOM 243 C GLU A 19 -5.184 6.754 -13.239 1.00 0.00 C ATOM 244 O GLU A 19 -5.173 5.524 -13.211 1.00 0.00 O ATOM 245 CB GLU A 19 -4.403 8.099 -15.224 1.00 0.00 C ATOM 246 CG GLU A 19 -3.407 7.010 -15.627 1.00 0.00 C ATOM 247 CD GLU A 19 -2.834 7.280 -17.020 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.555 6.985 -17.997 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.687 7.775 -17.075 1.00 0.00 O ATOM 0 H GLU A 19 -6.290 9.477 -14.387 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.079 6.783 -15.184 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.734 8.640 -16.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.912 8.823 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.597 6.965 -14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.900 6.038 -15.615 1.00 0.00 H new ATOM 256 N GLN A 20 -4.842 7.531 -12.222 1.00 0.00 N ATOM 257 CA GLN A 20 -4.414 6.960 -10.956 1.00 0.00 C ATOM 258 C GLN A 20 -5.619 6.424 -10.181 1.00 0.00 C ATOM 259 O GLN A 20 -5.601 5.290 -9.705 1.00 0.00 O ATOM 260 CB GLN A 20 -3.641 7.987 -10.126 1.00 0.00 C ATOM 261 CG GLN A 20 -2.280 8.288 -10.756 1.00 0.00 C ATOM 262 CD GLN A 20 -1.286 8.784 -9.703 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.253 8.320 -8.576 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.480 9.752 -10.133 1.00 0.00 N ATOM 0 H GLN A 20 -4.852 8.551 -12.249 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.741 6.128 -11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.221 8.907 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.501 7.610 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.890 7.390 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.395 9.041 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.561 10.095 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.218 10.151 -9.505 1.00 0.00 H new ATOM 273 N ILE A 21 -6.638 7.265 -10.078 1.00 0.00 N ATOM 274 CA ILE A 21 -7.849 6.890 -9.368 1.00 0.00 C ATOM 275 C ILE A 21 -8.183 5.429 -9.676 1.00 0.00 C ATOM 276 O ILE A 21 -8.049 4.563 -8.812 1.00 0.00 O ATOM 277 CB ILE A 21 -8.985 7.862 -9.695 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.820 9.175 -8.928 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.349 7.217 -9.442 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.152 9.920 -8.823 1.00 0.00 C ATOM 0 H ILE A 21 -6.650 8.205 -10.474 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.697 6.964 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.935 8.101 -10.757 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.434 8.971 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.086 9.804 -9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.138 7.929 -9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.455 6.332 -10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.427 6.929 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.006 10.850 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.523 10.144 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.877 9.298 -8.298 1.00 0.00 H new ATOM 292 N GLU A 22 -8.611 5.199 -10.908 1.00 0.00 N ATOM 293 CA GLU A 22 -8.965 3.858 -11.340 1.00 0.00 C ATOM 294 C GLU A 22 -7.988 2.837 -10.755 1.00 0.00 C ATOM 295 O GLU A 22 -8.404 1.829 -10.185 1.00 0.00 O ATOM 296 CB GLU A 22 -9.006 3.766 -12.867 1.00 0.00 C ATOM 297 CG GLU A 22 -7.751 4.385 -13.487 1.00 0.00 C ATOM 298 CD GLU A 22 -6.776 3.300 -13.950 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.934 2.155 -13.475 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.896 3.641 -14.769 1.00 0.00 O ATOM 0 H GLU A 22 -8.721 5.920 -11.622 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.964 3.630 -10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.089 2.722 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.892 4.278 -13.242 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.031 5.013 -14.333 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.262 5.032 -12.758 1.00 0.00 H new ATOM 307 N VAL A 23 -6.706 3.132 -10.916 1.00 0.00 N ATOM 308 CA VAL A 23 -5.666 2.252 -10.411 1.00 0.00 C ATOM 309 C VAL A 23 -5.827 2.096 -8.898 1.00 0.00 C ATOM 310 O VAL A 23 -5.931 0.979 -8.393 1.00 0.00 O ATOM 311 CB VAL A 23 -4.289 2.784 -10.814 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.215 2.332 -9.823 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.933 2.358 -12.240 1.00 0.00 C ATOM 0 H VAL A 23 -6.364 3.968 -11.389 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.758 1.259 -10.852 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.330 3.873 -10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.246 2.724 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.457 2.707 -8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.176 1.243 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.950 2.749 -12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.919 1.270 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.676 2.751 -12.934 1.00 0.00 H new ATOM 323 N PHE A 24 -5.842 3.232 -8.216 1.00 0.00 N ATOM 324 CA PHE A 24 -5.989 3.235 -6.770 1.00 0.00 C ATOM 325 C PHE A 24 -7.157 2.348 -6.335 1.00 0.00 C ATOM 326 O PHE A 24 -6.982 1.438 -5.527 1.00 0.00 O ATOM 327 CB PHE A 24 -6.277 4.679 -6.353 1.00 0.00 C ATOM 328 CG PHE A 24 -5.465 5.152 -5.146 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.868 4.830 -3.887 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.340 5.894 -5.331 1.00 0.00 C ATOM 331 CE1 PHE A 24 -5.114 5.269 -2.767 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.587 6.333 -4.211 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.989 6.011 -2.952 1.00 0.00 C ATOM 0 H PHE A 24 -5.755 4.157 -8.638 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.083 2.850 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.072 5.338 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.338 4.775 -6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.761 4.241 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.020 6.149 -6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.434 5.014 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.694 6.923 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.415 6.344 -2.100 1.00 0.00 H new ATOM 343 N ALA A 25 -8.322 2.645 -6.891 1.00 0.00 N ATOM 344 CA ALA A 25 -9.519 1.886 -6.571 1.00 0.00 C ATOM 345 C ALA A 25 -9.163 0.402 -6.462 1.00 0.00 C ATOM 346 O ALA A 25 -9.305 -0.198 -5.398 1.00 0.00 O ATOM 347 CB ALA A 25 -10.591 2.152 -7.630 1.00 0.00 C ATOM 0 H ALA A 25 -8.463 3.401 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.926 2.199 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.489 1.583 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.830 3.215 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.219 1.848 -8.608 1.00 0.00 H new ATOM 353 N ASN A 26 -8.707 -0.148 -7.578 1.00 0.00 N ATOM 354 CA ASN A 26 -8.329 -1.550 -7.622 1.00 0.00 C ATOM 355 C ASN A 26 -7.528 -1.897 -6.365 1.00 0.00 C ATOM 356 O ASN A 26 -7.781 -2.917 -5.725 1.00 0.00 O ATOM 357 CB ASN A 26 -7.451 -1.847 -8.839 1.00 0.00 C ATOM 358 CG ASN A 26 -8.239 -1.673 -10.139 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.049 -2.501 -10.520 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.957 -0.552 -10.797 1.00 0.00 N ATOM 0 H ASN A 26 -8.591 0.353 -8.459 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.241 -2.143 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.588 -1.181 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.068 -2.865 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.430 -0.344 -11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.268 0.100 -10.422 1.00 0.00 H new ATOM 367 N LYS A 27 -6.577 -1.030 -6.050 1.00 0.00 N ATOM 368 CA LYS A 27 -5.738 -1.232 -4.881 1.00 0.00 C ATOM 369 C LYS A 27 -6.601 -1.161 -3.620 1.00 0.00 C ATOM 370 O LYS A 27 -6.544 -2.053 -2.774 1.00 0.00 O ATOM 371 CB LYS A 27 -4.570 -0.243 -4.883 1.00 0.00 C ATOM 372 CG LYS A 27 -3.753 -0.362 -6.171 1.00 0.00 C ATOM 373 CD LYS A 27 -2.674 0.721 -6.239 1.00 0.00 C ATOM 374 CE LYS A 27 -1.295 0.107 -6.490 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.246 1.150 -6.438 1.00 0.00 N ATOM 0 H LYS A 27 -6.369 -0.186 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.287 -2.224 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.950 0.774 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.928 -0.431 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.288 -1.347 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.414 -0.277 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.912 1.427 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.661 1.285 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.091 -0.660 -5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.280 -0.384 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.664 0.715 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.165 1.608 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.499 1.861 -5.723 1.00 0.00 H new ATOM 389 N LEU A 28 -7.380 -0.093 -3.533 1.00 0.00 N ATOM 390 CA LEU A 28 -8.254 0.105 -2.390 1.00 0.00 C ATOM 391 C LEU A 28 -9.085 -1.159 -2.163 1.00 0.00 C ATOM 392 O LEU A 28 -8.962 -1.810 -1.126 1.00 0.00 O ATOM 393 CB LEU A 28 -9.095 1.370 -2.571 1.00 0.00 C ATOM 394 CG LEU A 28 -9.728 1.943 -1.301 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.689 2.086 -0.187 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.442 3.264 -1.592 1.00 0.00 C ATOM 0 H LEU A 28 -7.424 0.645 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.667 0.267 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.466 2.140 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.891 1.154 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.483 1.240 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.165 2.495 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.266 1.108 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.894 2.757 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.883 3.649 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.725 3.987 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.227 3.098 -2.329 1.00 0.00 H new ATOM 408 N GLY A 29 -9.913 -1.469 -3.150 1.00 0.00 N ATOM 409 CA GLY A 29 -10.764 -2.644 -3.071 1.00 0.00 C ATOM 410 C GLY A 29 -11.915 -2.423 -2.088 1.00 0.00 C ATOM 411 O GLY A 29 -12.832 -1.651 -2.364 1.00 0.00 O ATOM 0 H GLY A 29 -10.013 -0.927 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.164 -2.875 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.173 -3.505 -2.757 1.00 0.00 H new ATOM 415 N GLU A 30 -11.829 -3.113 -0.961 1.00 0.00 N ATOM 416 CA GLU A 30 -12.852 -3.001 0.065 1.00 0.00 C ATOM 417 C GLU A 30 -12.381 -2.074 1.186 1.00 0.00 C ATOM 418 O GLU A 30 -13.090 -1.873 2.171 1.00 0.00 O ATOM 419 CB GLU A 30 -13.230 -4.378 0.615 1.00 0.00 C ATOM 420 CG GLU A 30 -12.127 -4.929 1.520 1.00 0.00 C ATOM 421 CD GLU A 30 -12.671 -5.256 2.912 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.949 -4.289 3.655 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.798 -6.465 3.202 1.00 0.00 O ATOM 0 H GLU A 30 -11.067 -3.752 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.745 -2.568 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.163 -4.306 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.406 -5.067 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.699 -5.826 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.321 -4.199 1.603 1.00 0.00 H new ATOM 430 N GLN A 31 -11.186 -1.532 1.000 1.00 0.00 N ATOM 431 CA GLN A 31 -10.611 -0.631 1.983 1.00 0.00 C ATOM 432 C GLN A 31 -11.190 0.776 1.816 1.00 0.00 C ATOM 433 O GLN A 31 -10.842 1.687 2.566 1.00 0.00 O ATOM 434 CB GLN A 31 -9.084 -0.611 1.883 1.00 0.00 C ATOM 435 CG GLN A 31 -8.463 -1.700 2.758 1.00 0.00 C ATOM 436 CD GLN A 31 -7.507 -2.578 1.947 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.323 -2.401 0.754 1.00 0.00 O ATOM 438 NE2 GLN A 31 -6.912 -3.531 2.658 1.00 0.00 N ATOM 0 H GLN A 31 -10.600 -1.700 0.182 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.872 -0.995 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.782 -0.757 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.709 0.365 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.925 -1.242 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.251 -2.317 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.111 -3.624 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.256 -4.169 2.207 1.00 0.00 H new ATOM 447 N TRP A 32 -12.063 0.908 0.829 1.00 0.00 N ATOM 448 CA TRP A 32 -12.693 2.188 0.554 1.00 0.00 C ATOM 449 C TRP A 32 -13.529 2.576 1.775 1.00 0.00 C ATOM 450 O TRP A 32 -13.844 3.749 1.970 1.00 0.00 O ATOM 451 CB TRP A 32 -13.513 2.130 -0.737 1.00 0.00 C ATOM 452 CG TRP A 32 -14.848 1.397 -0.594 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.113 0.109 -0.851 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.097 1.965 -0.148 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.437 -0.194 -0.603 1.00 0.00 N ATOM 456 CE2 TRP A 32 -17.054 0.971 -0.162 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.408 3.276 0.255 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.386 1.183 0.215 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.743 3.472 0.629 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.719 2.481 0.620 1.00 0.00 C ATOM 0 H TRP A 32 -12.349 0.150 0.210 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.941 2.959 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.704 3.147 -1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.921 1.639 -1.509 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.383 -0.603 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.881 -1.105 -0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.675 4.069 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.117 0.388 0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -18.035 4.462 0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.729 2.712 0.924 1.00 0.00 H new ATOM 471 N LYS A 33 -13.866 1.567 2.566 1.00 0.00 N ATOM 472 CA LYS A 33 -14.659 1.787 3.763 1.00 0.00 C ATOM 473 C LYS A 33 -13.729 2.105 4.935 1.00 0.00 C ATOM 474 O LYS A 33 -14.182 2.542 5.992 1.00 0.00 O ATOM 475 CB LYS A 33 -15.586 0.597 4.019 1.00 0.00 C ATOM 476 CG LYS A 33 -16.787 1.010 4.871 1.00 0.00 C ATOM 477 CD LYS A 33 -18.048 0.255 4.445 1.00 0.00 C ATOM 478 CE LYS A 33 -19.182 0.471 5.448 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.452 0.754 4.742 1.00 0.00 N ATOM 0 H LYS A 33 -13.604 0.595 2.401 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.314 2.649 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.932 0.191 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.034 -0.197 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.577 0.811 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.952 2.083 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.362 0.593 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.828 -0.809 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.296 -0.415 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.935 1.300 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.102 1.252 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.262 1.349 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.885 -0.140 4.435 1.00 0.00 H new ATOM 493 N ILE A 34 -12.444 1.872 4.709 1.00 0.00 N ATOM 494 CA ILE A 34 -11.446 2.128 5.734 1.00 0.00 C ATOM 495 C ILE A 34 -10.811 3.498 5.490 1.00 0.00 C ATOM 496 O ILE A 34 -10.272 4.110 6.411 1.00 0.00 O ATOM 497 CB ILE A 34 -10.433 0.983 5.793 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.130 -0.353 6.060 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.337 1.272 6.820 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.136 -1.514 5.991 1.00 0.00 C ATOM 0 H ILE A 34 -12.071 1.509 3.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.912 2.162 6.719 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.949 0.905 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.601 -0.331 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.924 -0.505 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.631 0.442 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.813 2.188 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.785 1.393 7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.657 -2.451 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.684 -1.548 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.357 -1.371 6.740 1.00 0.00 H new ATOM 512 N LEU A 35 -10.895 3.941 4.244 1.00 0.00 N ATOM 513 CA LEU A 35 -10.336 5.228 3.867 1.00 0.00 C ATOM 514 C LEU A 35 -11.437 6.289 3.906 1.00 0.00 C ATOM 515 O LEU A 35 -11.152 7.486 3.884 1.00 0.00 O ATOM 516 CB LEU A 35 -9.624 5.128 2.517 1.00 0.00 C ATOM 517 CG LEU A 35 -8.096 5.079 2.565 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.489 5.584 1.255 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.561 5.846 3.777 1.00 0.00 C ATOM 0 H LEU A 35 -11.342 3.431 3.482 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.572 5.536 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.980 4.233 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.921 5.982 1.908 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.792 4.039 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.402 5.538 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.832 4.959 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.800 6.615 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.472 5.796 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.876 6.888 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.954 5.401 4.691 1.00 0.00 H new ATOM 531 N ALA A 36 -12.672 5.813 3.962 1.00 0.00 N ATOM 532 CA ALA A 36 -13.818 6.706 4.003 1.00 0.00 C ATOM 533 C ALA A 36 -13.786 7.509 5.305 1.00 0.00 C ATOM 534 O ALA A 36 -13.900 8.733 5.286 1.00 0.00 O ATOM 535 CB ALA A 36 -15.105 5.892 3.851 1.00 0.00 C ATOM 0 H ALA A 36 -12.904 4.820 3.980 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.782 7.416 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.965 6.561 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.091 5.363 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.178 5.171 4.665 1.00 0.00 H new ATOM 541 N PRO A 37 -13.625 6.768 6.434 1.00 0.00 N ATOM 542 CA PRO A 37 -13.577 7.398 7.742 1.00 0.00 C ATOM 543 C PRO A 37 -12.233 8.094 7.967 1.00 0.00 C ATOM 544 O PRO A 37 -12.001 8.679 9.023 1.00 0.00 O ATOM 545 CB PRO A 37 -13.835 6.273 8.731 1.00 0.00 C ATOM 546 CG PRO A 37 -13.558 4.983 7.976 1.00 0.00 C ATOM 547 CD PRO A 37 -13.486 5.316 6.495 1.00 0.00 C ATOM 0 HA PRO A 37 -14.319 8.188 7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.186 6.363 9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.862 6.300 9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.622 4.537 8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.345 4.253 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.540 4.990 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.280 4.819 5.938 1.00 0.00 H new ATOM 555 N TYR A 38 -11.382 8.007 6.955 1.00 0.00 N ATOM 556 CA TYR A 38 -10.067 8.620 7.028 1.00 0.00 C ATOM 557 C TYR A 38 -9.895 9.681 5.939 1.00 0.00 C ATOM 558 O TYR A 38 -8.872 10.361 5.885 1.00 0.00 O ATOM 559 CB TYR A 38 -9.061 7.493 6.788 1.00 0.00 C ATOM 560 CG TYR A 38 -8.690 6.711 8.050 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.553 5.758 8.550 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.491 6.960 8.688 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.204 5.022 9.737 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.142 6.224 9.876 1.00 0.00 C ATOM 565 CZ TYR A 38 -8.015 5.291 10.342 1.00 0.00 C ATOM 566 OH TYR A 38 -7.685 4.596 11.463 1.00 0.00 O ATOM 0 H TYR A 38 -11.578 7.521 6.080 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.925 9.108 7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.474 6.802 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.154 7.915 6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.491 5.564 8.051 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.815 7.706 8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.871 4.273 10.138 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.208 6.409 10.385 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.749 4.311 11.408 1.00 0.00 H new ATOM 576 N LEU A 39 -10.913 9.789 5.098 1.00 0.00 N ATOM 577 CA LEU A 39 -10.888 10.756 4.013 1.00 0.00 C ATOM 578 C LEU A 39 -11.760 11.956 4.385 1.00 0.00 C ATOM 579 O LEU A 39 -11.893 12.897 3.603 1.00 0.00 O ATOM 580 CB LEU A 39 -11.287 10.091 2.694 1.00 0.00 C ATOM 581 CG LEU A 39 -10.137 9.561 1.835 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.120 8.802 2.688 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.664 8.710 0.678 1.00 0.00 C ATOM 0 H LEU A 39 -11.760 9.223 5.146 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.876 11.132 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.960 9.263 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.853 10.811 2.104 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.617 10.413 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.313 8.436 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.711 9.470 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.610 7.958 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.826 8.346 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.223 7.863 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.319 9.315 0.050 1.00 0.00 H new ATOM 595 N GLU A 40 -12.331 11.885 5.578 1.00 0.00 N ATOM 596 CA GLU A 40 -13.187 12.955 6.063 1.00 0.00 C ATOM 597 C GLU A 40 -14.439 13.070 5.191 1.00 0.00 C ATOM 598 O GLU A 40 -14.804 14.164 4.765 1.00 0.00 O ATOM 599 CB GLU A 40 -12.429 14.283 6.113 1.00 0.00 C ATOM 600 CG GLU A 40 -11.095 14.126 6.844 1.00 0.00 C ATOM 601 CD GLU A 40 -11.303 14.076 8.359 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.406 15.171 8.954 1.00 0.00 O ATOM 603 OE2 GLU A 40 -11.354 12.945 8.888 1.00 0.00 O ATOM 0 H GLU A 40 -12.218 11.103 6.223 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.498 12.713 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.252 14.643 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.037 15.034 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.599 13.214 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.437 14.958 6.591 1.00 0.00 H new ATOM 610 N MET A 41 -15.062 11.925 4.952 1.00 0.00 N ATOM 611 CA MET A 41 -16.265 11.884 4.139 1.00 0.00 C ATOM 612 C MET A 41 -17.519 11.946 5.012 1.00 0.00 C ATOM 613 O MET A 41 -17.431 12.184 6.216 1.00 0.00 O ATOM 614 CB MET A 41 -16.280 10.595 3.314 1.00 0.00 C ATOM 615 CG MET A 41 -14.989 10.445 2.508 1.00 0.00 C ATOM 616 SD MET A 41 -14.769 11.858 1.439 1.00 0.00 S ATOM 617 CE MET A 41 -15.161 11.118 -0.138 1.00 0.00 C ATOM 0 H MET A 41 -14.756 11.019 5.307 1.00 0.00 H new ATOM 0 HA MET A 41 -16.263 12.750 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.402 9.737 3.975 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.136 10.601 2.639 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.138 10.353 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.025 9.532 1.914 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.523 11.887 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.267 10.654 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.933 10.361 -0.003 1.00 0.00 H new ATOM 627 N LYS A 42 -18.659 11.728 4.372 1.00 0.00 N ATOM 628 CA LYS A 42 -19.930 11.756 5.076 1.00 0.00 C ATOM 629 C LYS A 42 -20.496 10.337 5.155 1.00 0.00 C ATOM 630 O LYS A 42 -20.470 9.599 4.171 1.00 0.00 O ATOM 631 CB LYS A 42 -20.881 12.762 4.424 1.00 0.00 C ATOM 632 CG LYS A 42 -20.301 14.177 4.475 1.00 0.00 C ATOM 633 CD LYS A 42 -20.815 14.936 5.701 1.00 0.00 C ATOM 634 CE LYS A 42 -20.166 16.318 5.801 1.00 0.00 C ATOM 635 NZ LYS A 42 -21.032 17.243 6.567 1.00 0.00 N ATOM 0 H LYS A 42 -18.729 11.531 3.374 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.791 12.101 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.063 12.477 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.844 12.741 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.213 14.127 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.572 14.718 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.898 15.042 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.601 14.364 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.193 16.235 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.991 16.717 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -20.577 18.176 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.951 17.335 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.178 16.868 7.526 1.00 0.00 H new ATOM 649 N ASP A 43 -20.995 9.998 6.334 1.00 0.00 N ATOM 650 CA ASP A 43 -21.566 8.680 6.554 1.00 0.00 C ATOM 651 C ASP A 43 -22.536 8.353 5.417 1.00 0.00 C ATOM 652 O ASP A 43 -22.497 7.258 4.859 1.00 0.00 O ATOM 653 CB ASP A 43 -22.346 8.631 7.870 1.00 0.00 C ATOM 654 CG ASP A 43 -22.825 7.238 8.285 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.261 6.495 7.380 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.745 6.949 9.499 1.00 0.00 O ATOM 0 H ASP A 43 -21.016 10.613 7.147 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.749 7.960 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.717 9.034 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.212 9.287 7.786 1.00 0.00 H new ATOM 661 N SER A 44 -23.384 9.323 5.108 1.00 0.00 N ATOM 662 CA SER A 44 -24.362 9.153 4.047 1.00 0.00 C ATOM 663 C SER A 44 -23.669 8.684 2.766 1.00 0.00 C ATOM 664 O SER A 44 -24.106 7.723 2.136 1.00 0.00 O ATOM 665 CB SER A 44 -25.130 10.451 3.791 1.00 0.00 C ATOM 666 OG SER A 44 -26.084 10.718 4.815 1.00 0.00 O ATOM 0 H SER A 44 -23.414 10.230 5.574 1.00 0.00 H new ATOM 0 HA SER A 44 -25.079 8.395 4.362 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.427 11.281 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.639 10.387 2.829 1.00 0.00 H new ATOM 0 HG SER A 44 -26.552 11.556 4.616 1.00 0.00 H new ATOM 672 N GLU A 45 -22.600 9.386 2.420 1.00 0.00 N ATOM 673 CA GLU A 45 -21.842 9.054 1.225 1.00 0.00 C ATOM 674 C GLU A 45 -21.500 7.563 1.211 1.00 0.00 C ATOM 675 O GLU A 45 -21.792 6.865 0.240 1.00 0.00 O ATOM 676 CB GLU A 45 -20.576 9.908 1.124 1.00 0.00 C ATOM 677 CG GLU A 45 -20.699 10.940 0.001 1.00 0.00 C ATOM 678 CD GLU A 45 -20.469 10.292 -1.366 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.283 10.094 -1.708 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.485 10.009 -2.038 1.00 0.00 O ATOM 0 H GLU A 45 -22.241 10.183 2.946 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.459 9.274 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.399 10.416 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.714 9.267 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.688 11.397 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.974 11.739 0.155 1.00 0.00 H new ATOM 687 N ILE A 46 -20.887 7.119 2.297 1.00 0.00 N ATOM 688 CA ILE A 46 -20.502 5.723 2.422 1.00 0.00 C ATOM 689 C ILE A 46 -21.702 4.836 2.084 1.00 0.00 C ATOM 690 O ILE A 46 -21.567 3.855 1.354 1.00 0.00 O ATOM 691 CB ILE A 46 -19.908 5.452 3.805 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.658 6.303 4.041 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.630 3.960 4.001 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.266 6.303 5.520 1.00 0.00 C ATOM 0 H ILE A 46 -20.647 7.701 3.099 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.714 5.480 1.709 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.643 5.743 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.833 5.917 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.842 7.325 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.208 3.796 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.561 3.401 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.923 3.619 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.375 6.915 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.084 6.712 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.059 5.282 5.842 1.00 0.00 H new ATOM 706 N ARG A 47 -22.848 5.212 2.631 1.00 0.00 N ATOM 707 CA ARG A 47 -24.071 4.463 2.396 1.00 0.00 C ATOM 708 C ARG A 47 -24.509 4.605 0.937 1.00 0.00 C ATOM 709 O ARG A 47 -25.109 3.690 0.373 1.00 0.00 O ATOM 710 CB ARG A 47 -25.199 4.949 3.309 1.00 0.00 C ATOM 711 CG ARG A 47 -25.007 4.435 4.737 1.00 0.00 C ATOM 712 CD ARG A 47 -26.332 3.944 5.326 1.00 0.00 C ATOM 713 NE ARG A 47 -26.144 3.553 6.740 1.00 0.00 N ATOM 714 CZ ARG A 47 -27.131 3.510 7.646 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.381 3.833 7.290 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.867 3.143 8.907 1.00 0.00 N ATOM 0 H ARG A 47 -22.956 6.026 3.237 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.865 3.416 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.226 6.039 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.159 4.607 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.280 3.623 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.600 5.230 5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.084 4.729 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.702 3.095 4.752 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.204 3.300 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.582 4.112 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.132 3.800 7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.915 2.896 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.618 3.110 9.596 1.00 0.00 H new ATOM 730 N GLN A 48 -24.192 5.758 0.367 1.00 0.00 N ATOM 731 CA GLN A 48 -24.545 6.031 -1.016 1.00 0.00 C ATOM 732 C GLN A 48 -23.700 5.172 -1.959 1.00 0.00 C ATOM 733 O GLN A 48 -24.232 4.336 -2.688 1.00 0.00 O ATOM 734 CB GLN A 48 -24.387 7.518 -1.339 1.00 0.00 C ATOM 735 CG GLN A 48 -25.504 8.341 -0.694 1.00 0.00 C ATOM 736 CD GLN A 48 -26.880 7.782 -1.063 1.00 0.00 C ATOM 737 OE1 GLN A 48 -27.688 7.442 -0.215 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.099 7.708 -2.373 1.00 0.00 N ATOM 0 H GLN A 48 -23.695 6.514 0.838 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.594 5.771 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.419 7.870 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.401 7.663 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.384 8.337 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.430 9.379 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.378 8.010 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.988 7.349 -2.722 1.00 0.00 H new ATOM 747 N ILE A 49 -22.397 5.409 -1.915 1.00 0.00 N ATOM 748 CA ILE A 49 -21.473 4.667 -2.757 1.00 0.00 C ATOM 749 C ILE A 49 -21.866 3.189 -2.759 1.00 0.00 C ATOM 750 O ILE A 49 -22.004 2.581 -3.819 1.00 0.00 O ATOM 751 CB ILE A 49 -20.029 4.919 -2.319 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.625 6.374 -2.570 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.072 3.934 -2.992 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.539 6.819 -1.589 1.00 0.00 C ATOM 0 H ILE A 49 -21.959 6.104 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.534 5.015 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.964 4.748 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.263 6.483 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.497 7.020 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.052 4.135 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.347 2.915 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.134 4.049 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.271 7.856 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.912 6.731 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.659 6.187 -1.709 1.00 0.00 H new ATOM 766 N GLU A 50 -22.035 2.652 -1.559 1.00 0.00 N ATOM 767 CA GLU A 50 -22.409 1.257 -1.409 1.00 0.00 C ATOM 768 C GLU A 50 -23.625 0.936 -2.280 1.00 0.00 C ATOM 769 O GLU A 50 -23.660 -0.096 -2.948 1.00 0.00 O ATOM 770 CB GLU A 50 -22.680 0.916 0.058 1.00 0.00 C ATOM 771 CG GLU A 50 -21.502 0.157 0.671 1.00 0.00 C ATOM 772 CD GLU A 50 -21.983 -0.850 1.718 1.00 0.00 C ATOM 773 OE1 GLU A 50 -23.132 -1.319 1.567 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.192 -1.127 2.645 1.00 0.00 O ATOM 0 H GLU A 50 -21.919 3.159 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.575 0.640 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.859 1.832 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.585 0.313 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.952 -0.363 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.810 0.863 1.131 1.00 0.00 H new ATOM 781 N CYS A 51 -24.593 1.841 -2.245 1.00 0.00 N ATOM 782 CA CYS A 51 -25.807 1.668 -3.023 1.00 0.00 C ATOM 783 C CYS A 51 -25.474 1.916 -4.496 1.00 0.00 C ATOM 784 O CYS A 51 -25.794 1.096 -5.355 1.00 0.00 O ATOM 785 CB CYS A 51 -26.930 2.583 -2.530 1.00 0.00 C ATOM 786 SG CYS A 51 -28.558 1.855 -2.943 1.00 0.00 S ATOM 0 H CYS A 51 -24.560 2.696 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.177 0.650 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.848 2.724 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.836 3.567 -2.988 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.504 2.639 -2.518 1.00 0.00 H new ATOM 792 N ASP A 52 -24.836 3.051 -4.742 1.00 0.00 N ATOM 793 CA ASP A 52 -24.456 3.417 -6.096 1.00 0.00 C ATOM 794 C ASP A 52 -23.949 2.175 -6.832 1.00 0.00 C ATOM 795 O ASP A 52 -24.496 1.797 -7.867 1.00 0.00 O ATOM 796 CB ASP A 52 -23.332 4.455 -6.091 1.00 0.00 C ATOM 797 CG ASP A 52 -23.671 5.778 -6.780 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.523 5.825 -8.021 1.00 0.00 O ATOM 799 OD2 ASP A 52 -24.069 6.712 -6.052 1.00 0.00 O ATOM 0 H ASP A 52 -24.573 3.729 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.332 3.836 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.053 4.662 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.457 4.023 -6.577 1.00 0.00 H new ATOM 804 N SER A 53 -22.910 1.576 -6.270 1.00 0.00 N ATOM 805 CA SER A 53 -22.324 0.385 -6.860 1.00 0.00 C ATOM 806 C SER A 53 -22.207 -0.719 -5.807 1.00 0.00 C ATOM 807 O SER A 53 -21.892 -0.446 -4.649 1.00 0.00 O ATOM 808 CB SER A 53 -20.952 0.688 -7.465 1.00 0.00 C ATOM 809 OG SER A 53 -20.965 1.878 -8.250 1.00 0.00 O ATOM 0 H SER A 53 -22.459 1.893 -5.412 1.00 0.00 H new ATOM 0 HA SER A 53 -22.978 0.045 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.218 0.789 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.636 -0.151 -8.084 1.00 0.00 H new ATOM 0 HG SER A 53 -20.462 1.729 -9.078 1.00 0.00 H new ATOM 815 N GLU A 54 -22.467 -1.941 -6.245 1.00 0.00 N ATOM 816 CA GLU A 54 -22.395 -3.087 -5.354 1.00 0.00 C ATOM 817 C GLU A 54 -20.960 -3.612 -5.280 1.00 0.00 C ATOM 818 O GLU A 54 -20.493 -4.005 -4.212 1.00 0.00 O ATOM 819 CB GLU A 54 -23.360 -4.188 -5.798 1.00 0.00 C ATOM 820 CG GLU A 54 -23.595 -5.198 -4.672 1.00 0.00 C ATOM 821 CD GLU A 54 -24.377 -6.412 -5.179 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.357 -6.186 -5.921 1.00 0.00 O ATOM 823 OE2 GLU A 54 -23.976 -7.538 -4.813 1.00 0.00 O ATOM 0 H GLU A 54 -22.728 -2.163 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.696 -2.767 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.310 -3.745 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.957 -4.700 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.638 -5.522 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.143 -4.721 -3.859 1.00 0.00 H new ATOM 830 N ASP A 55 -20.300 -3.603 -6.429 1.00 0.00 N ATOM 831 CA ASP A 55 -18.928 -4.074 -6.508 1.00 0.00 C ATOM 832 C ASP A 55 -18.043 -3.207 -5.610 1.00 0.00 C ATOM 833 O ASP A 55 -18.365 -2.049 -5.348 1.00 0.00 O ATOM 834 CB ASP A 55 -18.392 -3.973 -7.937 1.00 0.00 C ATOM 835 CG ASP A 55 -18.781 -5.133 -8.857 1.00 0.00 C ATOM 836 OD1 ASP A 55 -19.988 -5.457 -8.882 1.00 0.00 O ATOM 837 OD2 ASP A 55 -17.863 -5.669 -9.514 1.00 0.00 O ATOM 0 H ASP A 55 -20.690 -3.277 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.911 -5.116 -6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.750 -3.043 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.305 -3.909 -7.898 1.00 0.00 H new ATOM 842 N MET A 56 -16.947 -3.800 -5.163 1.00 0.00 N ATOM 843 CA MET A 56 -16.014 -3.097 -4.299 1.00 0.00 C ATOM 844 C MET A 56 -15.195 -2.076 -5.093 1.00 0.00 C ATOM 845 O MET A 56 -15.130 -0.905 -4.723 1.00 0.00 O ATOM 846 CB MET A 56 -15.071 -4.104 -3.637 1.00 0.00 C ATOM 847 CG MET A 56 -15.543 -4.450 -2.224 1.00 0.00 C ATOM 848 SD MET A 56 -17.060 -5.388 -2.300 1.00 0.00 S ATOM 849 CE MET A 56 -18.203 -4.183 -1.645 1.00 0.00 C ATOM 0 H MET A 56 -16.683 -4.761 -5.383 1.00 0.00 H new ATOM 0 HA MET A 56 -16.584 -2.565 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.020 -5.011 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.063 -3.691 -3.597 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.776 -5.025 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.699 -3.537 -1.650 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.633 -4.557 -0.716 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.675 -3.249 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 56 -18.999 -4.006 -2.368 1.00 0.00 H new ATOM 859 N LYS A 57 -14.591 -2.558 -6.169 1.00 0.00 N ATOM 860 CA LYS A 57 -13.779 -1.703 -7.018 1.00 0.00 C ATOM 861 C LYS A 57 -14.523 -0.390 -7.271 1.00 0.00 C ATOM 862 O LYS A 57 -14.004 0.688 -6.983 1.00 0.00 O ATOM 863 CB LYS A 57 -13.380 -2.441 -8.297 1.00 0.00 C ATOM 864 CG LYS A 57 -12.293 -3.480 -8.014 1.00 0.00 C ATOM 865 CD LYS A 57 -11.858 -4.182 -9.302 1.00 0.00 C ATOM 866 CE LYS A 57 -11.120 -5.486 -8.993 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.774 -6.626 -9.674 1.00 0.00 N ATOM 0 H LYS A 57 -14.648 -3.530 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.843 -1.449 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.254 -2.931 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.021 -1.726 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.433 -2.995 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.665 -4.217 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.732 -4.392 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.211 -3.522 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.082 -5.409 -9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.107 -5.657 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.260 -7.503 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.757 -6.709 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.764 -6.468 -10.702 1.00 0.00 H new ATOM 881 N MET A 58 -15.727 -0.523 -7.808 1.00 0.00 N ATOM 882 CA MET A 58 -16.548 0.639 -8.104 1.00 0.00 C ATOM 883 C MET A 58 -16.681 1.543 -6.877 1.00 0.00 C ATOM 884 O MET A 58 -16.326 2.720 -6.927 1.00 0.00 O ATOM 885 CB MET A 58 -17.937 0.182 -8.554 1.00 0.00 C ATOM 886 CG MET A 58 -17.994 0.019 -10.075 1.00 0.00 C ATOM 887 SD MET A 58 -18.940 1.350 -10.796 1.00 0.00 S ATOM 888 CE MET A 58 -17.860 2.726 -10.440 1.00 0.00 C ATOM 0 H MET A 58 -16.154 -1.418 -8.046 1.00 0.00 H new ATOM 0 HA MET A 58 -16.067 1.207 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.186 -0.764 -8.074 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.684 0.908 -8.234 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.985 0.014 -10.487 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.446 -0.939 -10.330 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.219 3.614 -10.960 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.851 2.913 -9.366 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.850 2.492 -10.777 1.00 0.00 H new ATOM 898 N ARG A 59 -17.192 0.958 -5.803 1.00 0.00 N ATOM 899 CA ARG A 59 -17.377 1.696 -4.565 1.00 0.00 C ATOM 900 C ARG A 59 -16.108 2.480 -4.221 1.00 0.00 C ATOM 901 O ARG A 59 -16.180 3.647 -3.839 1.00 0.00 O ATOM 902 CB ARG A 59 -17.716 0.755 -3.408 1.00 0.00 C ATOM 903 CG ARG A 59 -19.126 0.180 -3.565 1.00 0.00 C ATOM 904 CD ARG A 59 -19.369 -0.954 -2.567 1.00 0.00 C ATOM 905 NE ARG A 59 -20.797 -1.344 -2.582 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.368 -2.139 -1.667 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.637 -2.634 -0.659 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.671 -2.439 -1.760 1.00 0.00 N ATOM 0 H ARG A 59 -17.484 -0.019 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.207 2.387 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.990 -0.057 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.642 1.293 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.863 0.968 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.261 -0.190 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.746 -1.812 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.081 -0.636 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.383 -0.985 -3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.645 -2.406 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.072 -3.239 0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.228 -2.062 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.106 -3.044 -1.064 1.00 0.00 H new ATOM 922 N ALA A 60 -14.977 1.806 -4.367 1.00 0.00 N ATOM 923 CA ALA A 60 -13.695 2.425 -4.076 1.00 0.00 C ATOM 924 C ALA A 60 -13.497 3.634 -4.993 1.00 0.00 C ATOM 925 O ALA A 60 -13.201 4.731 -4.523 1.00 0.00 O ATOM 926 CB ALA A 60 -12.581 1.388 -4.231 1.00 0.00 C ATOM 0 H ALA A 60 -14.922 0.838 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.667 2.783 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.619 1.852 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.752 0.564 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.577 1.008 -5.253 1.00 0.00 H new ATOM 932 N LYS A 61 -13.669 3.392 -6.284 1.00 0.00 N ATOM 933 CA LYS A 61 -13.514 4.448 -7.270 1.00 0.00 C ATOM 934 C LYS A 61 -14.406 5.631 -6.890 1.00 0.00 C ATOM 935 O LYS A 61 -13.918 6.743 -6.694 1.00 0.00 O ATOM 936 CB LYS A 61 -13.774 3.908 -8.678 1.00 0.00 C ATOM 937 CG LYS A 61 -13.203 4.849 -9.741 1.00 0.00 C ATOM 938 CD LYS A 61 -14.106 4.897 -10.974 1.00 0.00 C ATOM 939 CE LYS A 61 -13.509 5.799 -12.056 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.494 6.035 -13.136 1.00 0.00 N ATOM 0 H LYS A 61 -13.914 2.480 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.487 4.814 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.324 2.921 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.846 3.787 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.096 5.851 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.206 4.516 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.242 3.890 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.093 5.265 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.206 6.750 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.612 5.337 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.073 6.649 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.764 5.127 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.339 6.495 -12.741 1.00 0.00 H new ATOM 954 N GLN A 62 -15.698 5.351 -6.798 1.00 0.00 N ATOM 955 CA GLN A 62 -16.663 6.378 -6.445 1.00 0.00 C ATOM 956 C GLN A 62 -16.116 7.255 -5.316 1.00 0.00 C ATOM 957 O GLN A 62 -16.222 8.479 -5.370 1.00 0.00 O ATOM 958 CB GLN A 62 -18.006 5.758 -6.054 1.00 0.00 C ATOM 959 CG GLN A 62 -18.795 5.334 -7.295 1.00 0.00 C ATOM 960 CD GLN A 62 -19.955 6.295 -7.562 1.00 0.00 C ATOM 961 OE1 GLN A 62 -21.119 5.957 -7.425 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.574 7.509 -7.949 1.00 0.00 N ATOM 0 H GLN A 62 -16.099 4.427 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.831 7.007 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.838 4.893 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.588 6.476 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.133 5.309 -8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.180 4.323 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.582 7.726 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.274 8.223 -8.151 1.00 0.00 H new ATOM 971 N LEU A 63 -15.542 6.594 -4.322 1.00 0.00 N ATOM 972 CA LEU A 63 -14.978 7.298 -3.183 1.00 0.00 C ATOM 973 C LEU A 63 -13.814 8.173 -3.654 1.00 0.00 C ATOM 974 O LEU A 63 -13.845 9.392 -3.494 1.00 0.00 O ATOM 975 CB LEU A 63 -14.596 6.311 -2.078 1.00 0.00 C ATOM 976 CG LEU A 63 -13.857 6.902 -0.876 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.738 7.907 -0.131 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.341 5.798 0.048 1.00 0.00 C ATOM 0 H LEU A 63 -15.455 5.578 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.720 7.964 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.505 5.829 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.973 5.531 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.987 7.446 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.189 8.312 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.014 8.718 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.639 7.408 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.820 6.246 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.181 5.206 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.654 5.155 -0.502 1.00 0.00 H new ATOM 990 N LEU A 64 -12.816 7.517 -4.227 1.00 0.00 N ATOM 991 CA LEU A 64 -11.645 8.219 -4.723 1.00 0.00 C ATOM 992 C LEU A 64 -12.092 9.450 -5.516 1.00 0.00 C ATOM 993 O LEU A 64 -11.543 10.537 -5.342 1.00 0.00 O ATOM 994 CB LEU A 64 -10.747 7.269 -5.517 1.00 0.00 C ATOM 995 CG LEU A 64 -9.842 6.353 -4.690 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.165 6.465 -3.199 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.923 4.909 -5.188 1.00 0.00 C ATOM 0 H LEU A 64 -12.794 6.506 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.036 8.577 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.380 6.647 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.119 7.864 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.811 6.681 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.508 5.804 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.015 7.493 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.202 6.177 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.271 4.279 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.950 4.553 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.606 4.865 -6.230 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.083 9.237 -6.368 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.610 10.315 -7.188 1.00 0.00 C ATOM 1011 C VAL A 65 -14.108 11.442 -6.282 1.00 0.00 C ATOM 1012 O VAL A 65 -13.626 12.571 -6.368 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.694 9.778 -8.125 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.192 10.873 -9.071 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.190 8.564 -8.908 1.00 0.00 C ATOM 0 H VAL A 65 -13.535 8.334 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.827 10.730 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.536 9.455 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.962 10.465 -9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.609 11.695 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.360 11.240 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.980 8.202 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.323 8.850 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.907 7.774 -8.212 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.065 11.098 -5.433 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.633 12.067 -4.512 1.00 0.00 C ATOM 1027 C ALA A 66 -14.510 12.703 -3.691 1.00 0.00 C ATOM 1028 O ALA A 66 -14.508 13.912 -3.466 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.682 11.382 -3.633 1.00 0.00 C ATOM 0 H ALA A 66 -15.462 10.161 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.136 12.866 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.108 12.109 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.472 10.972 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.213 10.576 -3.068 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.581 11.859 -3.265 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.455 12.324 -2.473 1.00 0.00 C ATOM 1037 C TRP A 67 -11.611 13.251 -3.350 1.00 0.00 C ATOM 1038 O TRP A 67 -10.998 14.194 -2.853 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.658 11.146 -1.909 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.294 11.534 -1.336 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.028 12.099 -0.150 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.012 11.363 -1.976 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.674 12.303 0.020 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.036 11.841 -1.126 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.687 10.821 -3.232 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.672 11.826 -1.439 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.319 10.813 -3.530 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.325 11.291 -2.685 1.00 0.00 C ATOM 0 H TRP A 67 -13.585 10.857 -3.453 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.800 12.885 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.245 10.665 -1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.512 10.408 -2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.779 12.362 0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.224 12.717 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.434 10.441 -3.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.927 12.207 -0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.015 10.407 -4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.289 11.250 -2.988 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.606 12.950 -4.641 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.848 13.745 -5.592 1.00 0.00 C ATOM 1061 C GLN A 68 -11.583 15.051 -5.898 1.00 0.00 C ATOM 1062 O GLN A 68 -10.961 16.107 -6.003 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.577 12.955 -6.874 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.818 13.806 -7.893 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.491 12.997 -9.149 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.209 13.017 -10.136 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.371 12.286 -9.059 1.00 0.00 N ATOM 0 H GLN A 68 -12.115 12.166 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.885 13.990 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.999 12.061 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.520 12.620 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.416 14.676 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.896 14.179 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.816 12.314 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.066 11.712 -9.846 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.896 14.936 -6.031 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.723 16.095 -6.323 1.00 0.00 C ATOM 1078 C ASP A 69 -14.004 16.855 -5.025 1.00 0.00 C ATOM 1079 O ASP A 69 -14.576 17.944 -5.051 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.065 15.677 -6.926 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.170 15.838 -8.444 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -14.707 14.913 -9.146 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -15.710 16.882 -8.868 1.00 0.00 O ATOM 0 H ASP A 69 -13.408 14.058 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.187 16.721 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.251 14.633 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.855 16.264 -6.458 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.589 16.251 -3.921 1.00 0.00 N ATOM 1089 CA GLN A 70 -13.790 16.857 -2.616 1.00 0.00 C ATOM 1090 C GLN A 70 -12.661 17.844 -2.310 1.00 0.00 C ATOM 1091 O GLN A 70 -12.897 19.046 -2.195 1.00 0.00 O ATOM 1092 CB GLN A 70 -13.895 15.789 -1.526 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.526 16.365 -0.157 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.410 15.774 0.943 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.600 15.563 0.772 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -13.765 15.519 2.078 1.00 0.00 N ATOM 0 H GLN A 70 -13.114 15.348 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.732 17.406 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.910 15.393 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.234 14.955 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.479 16.154 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.636 17.449 -0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.768 15.720 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.268 15.123 2.872 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.459 17.300 -2.187 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.294 18.117 -1.897 1.00 0.00 C ATOM 1107 C GLU A 71 -9.922 18.964 -3.116 1.00 0.00 C ATOM 1108 O GLU A 71 -9.390 20.063 -2.973 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.114 17.251 -1.450 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.428 16.533 -0.136 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.868 17.308 1.059 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.624 17.411 1.137 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.696 17.781 1.867 1.00 0.00 O ATOM 0 H GLU A 71 -11.267 16.303 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.541 18.788 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.883 16.518 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.228 17.873 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.507 16.420 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.003 15.530 -0.155 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.218 18.419 -4.287 1.00 0.00 N ATOM 1121 CA GLY A 72 -9.921 19.110 -5.530 1.00 0.00 C ATOM 1122 C GLY A 72 -8.503 18.794 -6.008 1.00 0.00 C ATOM 1123 O GLY A 72 -8.130 17.628 -6.131 1.00 0.00 O ATOM 0 H GLY A 72 -10.660 17.507 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.640 18.816 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.029 20.185 -5.387 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.749 19.853 -6.266 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.380 19.703 -6.728 1.00 0.00 C ATOM 1129 C VAL A 73 -5.493 19.285 -5.554 1.00 0.00 C ATOM 1130 O VAL A 73 -4.332 18.925 -5.745 1.00 0.00 O ATOM 1131 CB VAL A 73 -5.911 20.994 -7.402 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.823 21.364 -8.573 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.823 22.139 -6.391 1.00 0.00 C ATOM 0 H VAL A 73 -8.061 20.819 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.315 18.917 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.911 20.821 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.467 22.285 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.812 20.561 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.840 21.509 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.487 23.045 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.805 22.312 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.114 21.877 -5.606 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.073 19.346 -4.364 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.349 18.978 -3.159 1.00 0.00 C ATOM 1145 C HIS A 74 -5.412 17.462 -2.965 1.00 0.00 C ATOM 1146 O HIS A 74 -4.878 16.934 -1.992 1.00 0.00 O ATOM 1147 CB HIS A 74 -5.878 19.753 -1.950 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.089 21.226 -2.209 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.342 22.211 -1.587 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.969 21.869 -3.028 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.763 23.390 -2.019 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.771 23.177 -2.912 1.00 0.00 N ATOM 0 H HIS A 74 -7.036 19.645 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.299 19.252 -3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.823 19.311 -1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.178 19.637 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.703 21.395 -3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.376 24.352 -1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.288 23.903 -3.409 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.071 16.804 -3.908 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.211 15.359 -3.854 1.00 0.00 C ATOM 1162 C ALA A 75 -4.932 14.707 -4.384 1.00 0.00 C ATOM 1163 O ALA A 75 -4.871 14.308 -5.546 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.452 14.936 -4.643 1.00 0.00 C ATOM 0 H ALA A 75 -6.514 17.245 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.350 15.025 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.557 13.852 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.336 15.403 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.348 15.252 -5.681 1.00 0.00 H new ATOM 1170 N THR A 76 -3.943 14.618 -3.507 1.00 0.00 N ATOM 1171 CA THR A 76 -2.670 14.021 -3.872 1.00 0.00 C ATOM 1172 C THR A 76 -2.592 12.579 -3.366 1.00 0.00 C ATOM 1173 O THR A 76 -3.357 12.184 -2.488 1.00 0.00 O ATOM 1174 CB THR A 76 -1.555 14.917 -3.330 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.924 15.148 -1.973 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.564 16.310 -3.962 1.00 0.00 C ATOM 0 H THR A 76 -3.998 14.950 -2.544 1.00 0.00 H new ATOM 0 HA THR A 76 -2.559 13.958 -4.954 1.00 0.00 H new ATOM 0 HB THR A 76 -0.590 14.444 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.245 15.707 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.753 16.905 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.429 16.221 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.517 16.797 -3.755 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.636 11.814 -3.956 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.448 10.424 -3.574 1.00 0.00 C ATOM 1186 C PRO A 77 -0.745 10.319 -2.219 1.00 0.00 C ATOM 1187 O PRO A 77 -1.061 9.440 -1.419 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.645 9.809 -4.709 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.018 10.975 -5.455 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.712 12.248 -5.000 1.00 0.00 C ATOM 0 HA PRO A 77 -2.391 9.894 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.120 9.134 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.286 9.223 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.051 11.029 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.129 10.844 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.005 12.975 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.242 12.726 -5.824 1.00 0.00 H new ATOM 1198 N GLU A 78 0.196 11.227 -2.004 1.00 0.00 N ATOM 1199 CA GLU A 78 0.946 11.247 -0.760 1.00 0.00 C ATOM 1200 C GLU A 78 0.006 11.485 0.423 1.00 0.00 C ATOM 1201 O GLU A 78 0.194 10.912 1.495 1.00 0.00 O ATOM 1202 CB GLU A 78 2.051 12.304 -0.803 1.00 0.00 C ATOM 1203 CG GLU A 78 3.097 12.049 0.284 1.00 0.00 C ATOM 1204 CD GLU A 78 3.010 13.106 1.387 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.665 14.258 1.044 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.290 12.739 2.549 1.00 0.00 O ATOM 0 H GLU A 78 0.456 11.954 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 78 1.423 10.275 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.530 12.295 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.617 13.295 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.947 11.058 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.094 12.059 -0.156 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.986 12.332 0.189 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.956 12.652 1.222 1.00 0.00 C ATOM 1215 C ASN A 79 -2.825 11.423 1.500 1.00 0.00 C ATOM 1216 O ASN A 79 -3.160 11.142 2.649 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.877 13.791 0.779 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.237 15.153 1.056 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.283 15.278 1.806 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.814 16.163 0.412 1.00 0.00 N ATOM 0 H ASN A 79 -1.139 12.806 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.409 12.956 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.092 13.696 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.829 13.719 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.461 17.112 0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.610 15.988 -0.201 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.164 10.724 0.427 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.987 9.531 0.540 1.00 0.00 C ATOM 1229 C LEU A 80 -3.183 8.426 1.229 1.00 0.00 C ATOM 1230 O LEU A 80 -3.704 7.719 2.089 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.539 9.129 -0.829 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.697 8.129 -0.817 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.799 8.578 0.145 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.232 7.894 -2.231 1.00 0.00 C ATOM 0 H LEU A 80 -2.884 10.960 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.859 9.727 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.869 10.031 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.725 8.705 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.320 7.174 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.610 7.850 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.393 8.654 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.180 9.550 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.054 7.179 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.588 8.837 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.435 7.498 -2.860 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.927 8.312 0.823 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.046 7.305 1.390 1.00 0.00 C ATOM 1248 C ILE A 81 -0.952 7.509 2.903 1.00 0.00 C ATOM 1249 O ILE A 81 -1.098 6.560 3.672 1.00 0.00 O ATOM 1250 CB ILE A 81 0.310 7.320 0.682 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.212 6.682 -0.705 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.386 6.655 1.544 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.516 6.861 -1.485 1.00 0.00 C ATOM 0 H ILE A 81 -1.498 8.900 0.108 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.454 6.307 1.228 1.00 0.00 H new ATOM 0 HB ILE A 81 0.608 8.358 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.013 5.620 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.612 7.132 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.340 6.679 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.479 7.192 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.106 5.620 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.419 6.398 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.726 7.924 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.333 6.388 -0.940 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.709 8.754 3.287 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.593 9.095 4.694 1.00 0.00 C ATOM 1267 C ASN A 82 -1.774 8.492 5.459 1.00 0.00 C ATOM 1268 O ASN A 82 -1.587 7.861 6.498 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.623 10.611 4.898 1.00 0.00 C ATOM 1270 CG ASN A 82 0.678 11.104 5.534 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.407 10.363 6.172 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.927 12.394 5.325 1.00 0.00 N ATOM 0 H ASN A 82 -0.589 9.539 2.647 1.00 0.00 H new ATOM 0 HA ASN A 82 0.355 8.701 5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.775 11.108 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.467 10.880 5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.771 12.819 5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.274 12.958 4.781 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.962 8.706 4.914 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.172 8.192 5.532 1.00 0.00 C ATOM 1281 C ALA A 83 -4.099 6.665 5.593 1.00 0.00 C ATOM 1282 O ALA A 83 -4.288 6.073 6.655 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.393 8.686 4.753 1.00 0.00 C ATOM 0 H ALA A 83 -3.113 9.228 4.051 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.267 8.559 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.301 8.300 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.415 9.776 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.334 8.334 3.723 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.824 6.070 4.442 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.723 4.624 4.351 1.00 0.00 C ATOM 1291 C LEU A 84 -2.902 4.100 5.531 1.00 0.00 C ATOM 1292 O LEU A 84 -3.273 3.109 6.159 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.172 4.209 2.986 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.079 4.485 1.785 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.263 4.583 0.494 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.189 3.437 1.683 1.00 0.00 C ATOM 0 H LEU A 84 -3.668 6.564 3.563 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.711 4.168 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.225 4.724 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.954 3.141 3.014 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.562 5.451 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.931 4.780 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.541 5.395 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.735 3.644 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.819 3.657 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.746 2.448 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.794 3.458 2.589 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.801 4.787 5.796 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.924 4.403 6.889 1.00 0.00 C ATOM 1310 C ASN A 85 -1.740 4.294 8.178 1.00 0.00 C ATOM 1311 O ASN A 85 -1.970 3.195 8.681 1.00 0.00 O ATOM 1312 CB ASN A 85 0.171 5.449 7.110 1.00 0.00 C ATOM 1313 CG ASN A 85 1.552 4.873 6.790 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.008 3.914 7.391 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.190 5.511 5.813 1.00 0.00 N ATOM 0 H ASN A 85 -1.496 5.608 5.273 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.465 3.448 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.019 6.318 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.147 5.793 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.119 5.204 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.750 6.307 5.352 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.157 5.449 8.677 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.943 5.497 9.898 1.00 0.00 C ATOM 1324 C LYS A 86 -4.148 4.564 9.761 1.00 0.00 C ATOM 1325 O LYS A 86 -4.565 3.935 10.732 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.318 6.941 10.237 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.073 7.597 9.080 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.314 9.083 9.355 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.381 9.274 10.435 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.509 10.705 10.789 1.00 0.00 N ATOM 0 H LYS A 86 -1.965 6.359 8.257 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.356 5.138 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.935 6.959 11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.416 7.512 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.504 7.482 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.027 7.092 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.383 9.554 9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.627 9.580 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.339 8.894 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.118 8.696 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.237 10.817 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.598 11.057 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.782 11.248 9.945 1.00 0.00 H new ATOM 1344 N SER A 87 -4.674 4.504 8.546 1.00 0.00 N ATOM 1345 CA SER A 87 -5.822 3.658 8.269 1.00 0.00 C ATOM 1346 C SER A 87 -5.434 2.185 8.409 1.00 0.00 C ATOM 1347 O SER A 87 -6.295 1.307 8.382 1.00 0.00 O ATOM 1348 CB SER A 87 -6.381 3.929 6.870 1.00 0.00 C ATOM 1349 OG SER A 87 -5.837 3.041 5.897 1.00 0.00 O ATOM 0 H SER A 87 -4.326 5.028 7.743 1.00 0.00 H new ATOM 0 HA SER A 87 -6.601 3.892 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.466 3.827 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.162 4.958 6.585 1.00 0.00 H new ATOM 0 HG SER A 87 -4.931 2.778 6.164 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.137 1.960 8.558 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.624 0.608 8.703 1.00 0.00 C ATOM 1357 C GLY A 88 -3.643 -0.132 7.364 1.00 0.00 C ATOM 1358 O GLY A 88 -3.766 -1.355 7.328 1.00 0.00 O ATOM 0 H GLY A 88 -3.426 2.691 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.605 0.641 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.224 0.064 9.432 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.518 0.641 6.295 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.519 0.074 4.957 1.00 0.00 C ATOM 1364 C LEU A 89 -2.111 0.172 4.366 1.00 0.00 C ATOM 1365 O LEU A 89 -1.951 0.459 3.180 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.595 0.737 4.095 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.982 0.092 4.140 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.239 -0.560 5.500 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.070 1.104 3.775 1.00 0.00 C ATOM 0 H LEU A 89 -3.415 1.655 6.328 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.778 -0.984 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.690 1.778 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.252 0.742 3.060 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.015 -0.700 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.231 -1.011 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.489 -1.330 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.180 0.196 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.046 0.620 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.048 1.933 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.893 1.481 2.768 1.00 0.00 H new ATOM 1381 N SER A 90 -1.127 -0.073 5.219 1.00 0.00 N ATOM 1382 CA SER A 90 0.261 -0.016 4.795 1.00 0.00 C ATOM 1383 C SER A 90 0.399 -0.573 3.377 1.00 0.00 C ATOM 1384 O SER A 90 1.131 -0.020 2.558 1.00 0.00 O ATOM 1385 CB SER A 90 1.163 -0.790 5.759 1.00 0.00 C ATOM 1386 OG SER A 90 0.764 -2.152 5.886 1.00 0.00 O ATOM 0 H SER A 90 -1.264 -0.311 6.201 1.00 0.00 H new ATOM 0 HA SER A 90 0.578 1.027 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.193 -0.745 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.141 -0.313 6.739 1.00 0.00 H new ATOM 0 HG SER A 90 1.365 -2.612 6.508 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.316 -1.660 3.130 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.283 -2.298 1.825 1.00 0.00 C ATOM 1394 C ASP A 91 -0.423 -1.231 0.737 1.00 0.00 C ATOM 1395 O ASP A 91 0.485 -1.037 -0.069 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.437 -3.289 1.666 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.262 -4.311 0.541 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.843 -3.881 -0.555 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.552 -5.498 0.802 1.00 0.00 O ATOM 0 H ASP A 91 -0.922 -2.116 3.812 1.00 0.00 H new ATOM 0 HA ASP A 91 0.664 -2.830 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.568 -3.825 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.355 -2.729 1.488 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.569 -0.566 0.750 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.841 0.477 -0.226 1.00 0.00 C ATOM 1406 C LEU A 92 -0.675 1.468 -0.243 1.00 0.00 C ATOM 1407 O LEU A 92 0.002 1.618 -1.259 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.198 1.127 0.049 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.386 0.552 -0.725 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.653 1.357 -1.998 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.181 -0.935 -1.019 1.00 0.00 C ATOM 0 H LEU A 92 -2.320 -0.729 1.421 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.915 0.053 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.409 1.043 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.122 2.190 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.274 0.637 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.502 0.927 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.876 2.391 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.772 1.327 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.040 -1.319 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.279 -1.067 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.078 -1.481 -0.081 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.478 2.120 0.893 1.00 0.00 N ATOM 1424 CA ALA A 93 0.593 3.094 1.021 1.00 0.00 C ATOM 1425 C ALA A 93 1.837 2.575 0.297 1.00 0.00 C ATOM 1426 O ALA A 93 2.310 3.196 -0.654 1.00 0.00 O ATOM 1427 CB ALA A 93 0.855 3.373 2.503 1.00 0.00 C ATOM 0 H ALA A 93 -1.042 1.993 1.733 1.00 0.00 H new ATOM 0 HA ALA A 93 0.311 4.039 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.658 4.103 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.051 3.766 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.144 2.448 3.002 1.00 0.00 H new ATOM 1433 N GLU A 94 2.330 1.441 0.773 1.00 0.00 N ATOM 1434 CA GLU A 94 3.510 0.832 0.183 1.00 0.00 C ATOM 1435 C GLU A 94 3.326 0.673 -1.328 1.00 0.00 C ATOM 1436 O GLU A 94 4.242 0.948 -2.101 1.00 0.00 O ATOM 1437 CB GLU A 94 3.820 -0.514 0.842 1.00 0.00 C ATOM 1438 CG GLU A 94 4.736 -0.332 2.054 1.00 0.00 C ATOM 1439 CD GLU A 94 6.123 -0.920 1.787 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.168 -2.089 1.345 1.00 0.00 O ATOM 1441 OE2 GLU A 94 7.106 -0.188 2.030 1.00 0.00 O ATOM 0 H GLU A 94 1.934 0.928 1.561 1.00 0.00 H new ATOM 0 HA GLU A 94 4.361 1.490 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.892 -0.994 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.295 -1.177 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.826 0.728 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.293 -0.816 2.925 1.00 0.00 H new ATOM 1448 N SER A 95 2.135 0.230 -1.703 1.00 0.00 N ATOM 1449 CA SER A 95 1.818 0.031 -3.107 1.00 0.00 C ATOM 1450 C SER A 95 1.982 1.346 -3.872 1.00 0.00 C ATOM 1451 O SER A 95 2.833 1.455 -4.752 1.00 0.00 O ATOM 1452 CB SER A 95 0.398 -0.511 -3.280 1.00 0.00 C ATOM 1453 OG SER A 95 0.383 -1.927 -3.437 1.00 0.00 O ATOM 0 H SER A 95 1.378 0.003 -1.059 1.00 0.00 H new ATOM 0 HA SER A 95 2.511 -0.706 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.203 -0.236 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.065 -0.045 -4.150 1.00 0.00 H new ATOM 0 HG SER A 95 -0.541 -2.235 -3.543 1.00 0.00 H new ATOM 1459 N LEU A 96 1.152 2.312 -3.507 1.00 0.00 N ATOM 1460 CA LEU A 96 1.194 3.616 -4.147 1.00 0.00 C ATOM 1461 C LEU A 96 2.633 4.134 -4.147 1.00 0.00 C ATOM 1462 O LEU A 96 3.240 4.293 -5.205 1.00 0.00 O ATOM 1463 CB LEU A 96 0.197 4.570 -3.486 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.280 4.321 -3.801 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.570 4.553 -5.285 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.710 2.926 -3.344 1.00 0.00 C ATOM 0 H LEU A 96 0.447 2.218 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 96 0.883 3.539 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.332 4.514 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.445 5.588 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.876 5.041 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.626 4.369 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.325 5.582 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.965 3.873 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.763 2.775 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.111 2.174 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.562 2.834 -2.268 1.00 0.00 H new ATOM 1478 N THR A 97 3.138 4.383 -2.947 1.00 0.00 N ATOM 1479 CA THR A 97 4.495 4.879 -2.795 1.00 0.00 C ATOM 1480 C THR A 97 5.468 4.038 -3.624 1.00 0.00 C ATOM 1481 O THR A 97 6.321 4.579 -4.324 1.00 0.00 O ATOM 1482 CB THR A 97 4.828 4.897 -1.302 1.00 0.00 C ATOM 1483 OG1 THR A 97 5.773 5.955 -1.169 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.598 3.652 -0.858 1.00 0.00 C ATOM 0 H THR A 97 2.632 4.250 -2.072 1.00 0.00 H new ATOM 0 HA THR A 97 4.588 5.896 -3.176 1.00 0.00 H new ATOM 0 HB THR A 97 3.906 4.978 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.042 6.037 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.809 3.716 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.999 2.763 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.536 3.588 -1.410 1.00 0.00 H new ATOM 1492 N ASN A 98 5.305 2.727 -3.517 1.00 0.00 N ATOM 1493 CA ASN A 98 6.158 1.805 -4.248 1.00 0.00 C ATOM 1494 C ASN A 98 7.599 2.317 -4.218 1.00 0.00 C ATOM 1495 O ASN A 98 8.031 3.021 -5.129 1.00 0.00 O ATOM 1496 CB ASN A 98 5.725 1.697 -5.711 1.00 0.00 C ATOM 1497 CG ASN A 98 5.413 0.247 -6.085 1.00 0.00 C ATOM 1498 OD1 ASN A 98 5.963 -0.312 -7.020 1.00 0.00 O ATOM 1499 ND2 ASN A 98 4.503 -0.330 -5.305 1.00 0.00 N ATOM 0 H ASN A 98 4.595 2.282 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 98 6.079 0.826 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.845 2.317 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.515 2.081 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.227 -1.297 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.081 0.195 -4.539 1.00 0.00 H new ATOM 1506 N ASP A 99 8.304 1.944 -3.160 1.00 0.00 N ATOM 1507 CA ASP A 99 9.688 2.357 -2.999 1.00 0.00 C ATOM 1508 C ASP A 99 10.606 1.303 -3.622 1.00 0.00 C ATOM 1509 O ASP A 99 11.433 1.621 -4.475 1.00 0.00 O ATOM 1510 CB ASP A 99 10.055 2.488 -1.520 1.00 0.00 C ATOM 1511 CG ASP A 99 9.455 1.417 -0.607 1.00 0.00 C ATOM 1512 OD1 ASP A 99 8.211 1.415 -0.476 1.00 0.00 O ATOM 1513 OD2 ASP A 99 10.252 0.624 -0.061 1.00 0.00 O ATOM 0 H ASP A 99 7.943 1.360 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 99 9.811 3.323 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.141 2.457 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.733 3.467 -1.167 1.00 0.00 H new ATOM 1518 N ASN A 100 10.428 0.069 -3.173 1.00 0.00 N ATOM 1519 CA ASN A 100 11.230 -1.033 -3.676 1.00 0.00 C ATOM 1520 C ASN A 100 10.948 -2.285 -2.843 1.00 0.00 C ATOM 1521 O ASN A 100 10.190 -2.233 -1.875 1.00 0.00 O ATOM 1522 CB ASN A 100 12.724 -0.721 -3.569 1.00 0.00 C ATOM 1523 CG ASN A 100 13.096 -0.300 -2.146 1.00 0.00 C ATOM 1524 OD1 ASN A 100 12.964 -1.052 -1.194 1.00 0.00 O ATOM 1525 ND2 ASN A 100 13.568 0.940 -2.055 1.00 0.00 N ATOM 0 H ASN A 100 9.740 -0.192 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 100 10.968 -1.190 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.304 -1.598 -3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.984 0.075 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.845 1.315 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.653 1.516 -2.892 1.00 0.00 H new ATOM 1532 N GLU A 101 11.573 -3.380 -3.249 1.00 0.00 N ATOM 1533 CA GLU A 101 11.399 -4.643 -2.552 1.00 0.00 C ATOM 1534 C GLU A 101 12.711 -5.071 -1.892 1.00 0.00 C ATOM 1535 O GLU A 101 12.750 -5.334 -0.691 1.00 0.00 O ATOM 1536 CB GLU A 101 10.884 -5.727 -3.501 1.00 0.00 C ATOM 1537 CG GLU A 101 9.913 -6.668 -2.785 1.00 0.00 C ATOM 1538 CD GLU A 101 10.113 -8.114 -3.242 1.00 0.00 C ATOM 1539 OE1 GLU A 101 9.619 -8.434 -4.345 1.00 0.00 O ATOM 1540 OE2 GLU A 101 10.755 -8.867 -2.479 1.00 0.00 O ATOM 0 H GLU A 101 12.201 -3.419 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 101 10.651 -4.504 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.385 -5.263 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.724 -6.298 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.063 -6.599 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.887 -6.358 -2.985 1.00 0.00 H new ATOM 1547 N THR A 102 13.755 -5.128 -2.706 1.00 0.00 N ATOM 1548 CA THR A 102 15.066 -5.519 -2.216 1.00 0.00 C ATOM 1549 C THR A 102 16.127 -4.516 -2.672 1.00 0.00 C ATOM 1550 O THR A 102 16.761 -3.860 -1.848 1.00 0.00 O ATOM 1551 CB THR A 102 15.339 -6.949 -2.688 1.00 0.00 C ATOM 1552 OG1 THR A 102 14.408 -7.740 -1.954 1.00 0.00 O ATOM 1553 CG2 THR A 102 16.706 -7.464 -2.233 1.00 0.00 C ATOM 0 H THR A 102 13.720 -4.910 -3.702 1.00 0.00 H new ATOM 0 HA THR A 102 15.101 -5.508 -1.127 1.00 0.00 H new ATOM 0 HB THR A 102 15.279 -6.991 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.514 -8.683 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 102 16.850 -8.482 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 102 17.489 -6.822 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 102 16.754 -7.455 -1.144 1.00 0.00 H new ATOM 1561 N ASN A 103 16.288 -4.428 -3.985 1.00 0.00 N ATOM 1562 CA ASN A 103 17.261 -3.516 -4.560 1.00 0.00 C ATOM 1563 C ASN A 103 16.574 -2.638 -5.608 1.00 0.00 C ATOM 1564 O ASN A 103 15.742 -3.119 -6.377 1.00 0.00 O ATOM 1565 CB ASN A 103 18.391 -4.281 -5.252 1.00 0.00 C ATOM 1566 CG ASN A 103 19.563 -4.511 -4.296 1.00 0.00 C ATOM 1567 OD1 ASN A 103 19.472 -4.298 -3.098 1.00 0.00 O ATOM 1568 ND2 ASN A 103 20.666 -4.956 -4.890 1.00 0.00 N ATOM 0 H ASN A 103 15.760 -4.974 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 103 17.675 -2.912 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.018 -5.239 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.732 -3.723 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.504 -5.140 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.675 -5.113 -5.898 1.00 0.00 H new ATOM 1575 N SER A 104 16.946 -1.367 -5.605 1.00 0.00 N ATOM 1576 CA SER A 104 16.376 -0.418 -6.546 1.00 0.00 C ATOM 1577 C SER A 104 17.487 0.229 -7.375 1.00 0.00 C ATOM 1578 O SER A 104 17.476 0.151 -8.603 1.00 0.00 O ATOM 1579 CB SER A 104 15.562 0.656 -5.820 1.00 0.00 C ATOM 1580 OG SER A 104 15.319 1.791 -6.646 1.00 0.00 O ATOM 0 H SER A 104 17.635 -0.972 -4.966 1.00 0.00 H new ATOM 0 HA SER A 104 15.703 -0.959 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.611 0.233 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.094 0.969 -4.922 1.00 0.00 H new ATOM 0 HG SER A 104 14.796 2.453 -6.147 1.00 0.00 H new ATOM 1586 N SER A 105 18.421 0.853 -6.672 1.00 0.00 N ATOM 1587 CA SER A 105 19.537 1.512 -7.328 1.00 0.00 C ATOM 1588 C SER A 105 20.632 1.828 -6.307 1.00 0.00 C ATOM 1589 O SER A 105 21.762 1.361 -6.439 1.00 0.00 O ATOM 1590 CB SER A 105 19.083 2.792 -8.032 1.00 0.00 C ATOM 1591 OG SER A 105 18.493 2.523 -9.301 1.00 0.00 O ATOM 0 H SER A 105 18.427 0.916 -5.654 1.00 0.00 H new ATOM 0 HA SER A 105 19.938 0.836 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.365 3.317 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.937 3.456 -8.163 1.00 0.00 H new ATOM 0 HG SER A 105 18.153 1.604 -9.316 1.00 0.00 H new ATOM 1597 N GLY A 106 20.258 2.618 -5.311 1.00 0.00 N ATOM 1598 CA GLY A 106 21.194 3.002 -4.269 1.00 0.00 C ATOM 1599 C GLY A 106 22.504 3.517 -4.869 1.00 0.00 C ATOM 1600 O GLY A 106 23.447 2.751 -5.060 1.00 0.00 O ATOM 0 H GLY A 106 19.319 3.002 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 106 20.749 3.775 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 106 21.397 2.147 -3.625 1.00 0.00 H new ATOM 1604 N PRO A 107 22.520 4.845 -5.159 1.00 0.00 N ATOM 1605 CA PRO A 107 23.698 5.472 -5.735 1.00 0.00 C ATOM 1606 C PRO A 107 24.793 5.653 -4.681 1.00 0.00 C ATOM 1607 O PRO A 107 24.857 6.688 -4.020 1.00 0.00 O ATOM 1608 CB PRO A 107 23.203 6.789 -6.309 1.00 0.00 C ATOM 1609 CG PRO A 107 21.871 7.064 -5.631 1.00 0.00 C ATOM 1610 CD PRO A 107 21.421 5.783 -4.948 1.00 0.00 C ATOM 0 HA PRO A 107 24.160 4.864 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 107 23.914 7.592 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.085 6.724 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 107 21.972 7.869 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 107 21.130 7.387 -6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 107 21.236 5.944 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 107 20.493 5.409 -5.380 1.00 0.00 H new ATOM 1618 N SER A 108 25.626 4.630 -4.558 1.00 0.00 N ATOM 1619 CA SER A 108 26.714 4.664 -3.596 1.00 0.00 C ATOM 1620 C SER A 108 26.167 4.953 -2.197 1.00 0.00 C ATOM 1621 O SER A 108 25.005 5.326 -2.045 1.00 0.00 O ATOM 1622 CB SER A 108 27.760 5.711 -3.984 1.00 0.00 C ATOM 1623 OG SER A 108 27.400 7.016 -3.539 1.00 0.00 O ATOM 0 H SER A 108 25.569 3.773 -5.108 1.00 0.00 H new ATOM 0 HA SER A 108 27.200 3.688 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 108 28.724 5.436 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 108 27.881 5.718 -5.067 1.00 0.00 H new ATOM 0 HG SER A 108 26.453 7.178 -3.733 1.00 0.00 H new ATOM 1629 N SER A 109 27.031 4.769 -1.209 1.00 0.00 N ATOM 1630 CA SER A 109 26.649 5.005 0.173 1.00 0.00 C ATOM 1631 C SER A 109 27.610 6.005 0.818 1.00 0.00 C ATOM 1632 O SER A 109 28.797 6.029 0.494 1.00 0.00 O ATOM 1633 CB SER A 109 26.628 3.699 0.970 1.00 0.00 C ATOM 1634 OG SER A 109 25.774 3.781 2.107 1.00 0.00 O ATOM 0 H SER A 109 27.994 4.459 -1.338 1.00 0.00 H new ATOM 0 HA SER A 109 25.641 5.421 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.295 2.886 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.640 3.456 1.294 1.00 0.00 H new ATOM 0 HG SER A 109 25.787 2.927 2.588 1.00 0.00 H new ATOM 1640 N GLY A 110 27.063 6.807 1.720 1.00 0.00 N ATOM 1641 CA GLY A 110 27.857 7.806 2.413 1.00 0.00 C ATOM 1642 C GLY A 110 27.116 9.143 2.484 1.00 0.00 C ATOM 1643 O GLY A 110 27.717 10.200 2.299 1.00 0.00 O ATOM 0 H GLY A 110 26.079 6.785 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 110 28.086 7.459 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 110 28.809 7.940 1.899 1.00 0.00 H new TER 1647 GLY A 110