USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=22 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 -84:sc= 0.242 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.255 K(o=-0.013,f=-1.1!) USER MOD Set 2.1: A 53 SER OG : rot -117:sc= 1.03 USER MOD Set 2.2: A 62 GLN : amide:sc= -3.91! C(o=-2.9!,f=-9.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0843 USER MOD Single : A 3 SER OG : rot 53:sc= 0.0228 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.646) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 20 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5) USER MOD Single : A 26 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 154:sc= -4.72! (180deg=-7.92!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 48 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.036) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 176:sc= 0 (180deg=-0.0209) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -11.6! C(o=-12!,f=-5.6!) USER MOD Single : A 70 GLN : amide:sc= 0.531 K(o=0.53,f=-0.16) USER MOD Single : A 74 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0.039) USER MOD Single : A 82 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.022) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -61:sc= -5.84! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 62:sc= 0.908 USER MOD Single : A 97 THR OG1 : rot -97:sc= -1.54 USER MOD Single : A 98 ASN : amide:sc= -0.816 K(o=-0.82,f=-0.22) USER MOD Single : A 100 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.9!) USER MOD Single : A 102 THR OG1 : rot 8:sc= 0.989 USER MOD Single : A 103 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.069) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.869 7.688 -4.920 1.00 0.00 N ATOM 2 CA GLY A 1 22.742 9.073 -4.502 1.00 0.00 C ATOM 3 C GLY A 1 21.273 9.453 -4.300 1.00 0.00 C ATOM 4 O GLY A 1 20.538 8.753 -3.605 1.00 0.00 O ATOM 0 H1 GLY A 1 23.874 7.455 -5.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.461 7.067 -4.192 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.362 7.548 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.292 9.228 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.190 9.725 -5.251 1.00 0.00 H new ATOM 8 N SER A 2 20.891 10.559 -4.919 1.00 0.00 N ATOM 9 CA SER A 2 19.523 11.040 -4.816 1.00 0.00 C ATOM 10 C SER A 2 18.768 10.752 -6.115 1.00 0.00 C ATOM 11 O SER A 2 19.201 11.159 -7.192 1.00 0.00 O ATOM 12 CB SER A 2 19.488 12.537 -4.502 1.00 0.00 C ATOM 13 OG SER A 2 20.299 13.290 -5.399 1.00 0.00 O ATOM 0 H SER A 2 21.504 11.137 -5.494 1.00 0.00 H new ATOM 0 HA SER A 2 19.036 10.513 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.460 12.895 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.829 12.701 -3.480 1.00 0.00 H new ATOM 0 HG SER A 2 20.214 12.922 -6.304 1.00 0.00 H new ATOM 19 N SER A 3 17.652 10.053 -5.971 1.00 0.00 N ATOM 20 CA SER A 3 16.833 9.706 -7.119 1.00 0.00 C ATOM 21 C SER A 3 17.723 9.276 -8.287 1.00 0.00 C ATOM 22 O SER A 3 18.157 10.109 -9.081 1.00 0.00 O ATOM 23 CB SER A 3 15.943 10.879 -7.535 1.00 0.00 C ATOM 24 OG SER A 3 14.701 10.440 -8.081 1.00 0.00 O ATOM 0 H SER A 3 17.296 9.717 -5.076 1.00 0.00 H new ATOM 0 HA SER A 3 16.186 8.875 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.754 11.515 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.467 11.489 -8.271 1.00 0.00 H new ATOM 0 HG SER A 3 14.269 9.821 -7.455 1.00 0.00 H new ATOM 30 N GLY A 4 17.969 7.975 -8.354 1.00 0.00 N ATOM 31 CA GLY A 4 18.800 7.424 -9.411 1.00 0.00 C ATOM 32 C GLY A 4 18.452 5.957 -9.673 1.00 0.00 C ATOM 33 O GLY A 4 17.307 5.633 -9.984 1.00 0.00 O ATOM 0 H GLY A 4 17.607 7.287 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.664 8.003 -10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.851 7.508 -9.134 1.00 0.00 H new ATOM 37 N SER A 5 19.462 5.110 -9.536 1.00 0.00 N ATOM 38 CA SER A 5 19.277 3.685 -9.755 1.00 0.00 C ATOM 39 C SER A 5 17.971 3.221 -9.106 1.00 0.00 C ATOM 40 O SER A 5 17.110 2.652 -9.775 1.00 0.00 O ATOM 41 CB SER A 5 20.458 2.886 -9.200 1.00 0.00 C ATOM 42 OG SER A 5 20.122 1.518 -8.985 1.00 0.00 O ATOM 0 H SER A 5 20.410 5.383 -9.276 1.00 0.00 H new ATOM 0 HA SER A 5 19.225 3.507 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.296 2.949 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.787 3.331 -8.261 1.00 0.00 H new ATOM 0 HG SER A 5 20.902 1.041 -8.632 1.00 0.00 H new ATOM 48 N SER A 6 17.865 3.482 -7.812 1.00 0.00 N ATOM 49 CA SER A 6 16.679 3.098 -7.066 1.00 0.00 C ATOM 50 C SER A 6 15.897 4.346 -6.648 1.00 0.00 C ATOM 51 O SER A 6 16.440 5.449 -6.640 1.00 0.00 O ATOM 52 CB SER A 6 17.047 2.266 -5.836 1.00 0.00 C ATOM 53 OG SER A 6 15.903 1.660 -5.239 1.00 0.00 O ATOM 0 H SER A 6 18.581 3.955 -7.261 1.00 0.00 H new ATOM 0 HA SER A 6 16.052 2.483 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.759 1.492 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.544 2.902 -5.104 1.00 0.00 H new ATOM 0 HG SER A 6 16.180 1.137 -4.458 1.00 0.00 H new ATOM 59 N GLY A 7 14.634 4.128 -6.312 1.00 0.00 N ATOM 60 CA GLY A 7 13.772 5.221 -5.894 1.00 0.00 C ATOM 61 C GLY A 7 12.998 5.794 -7.083 1.00 0.00 C ATOM 62 O GLY A 7 13.528 5.881 -8.190 1.00 0.00 O ATOM 0 H GLY A 7 14.187 3.211 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.073 4.868 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.372 6.006 -5.433 1.00 0.00 H new ATOM 66 N PRO A 8 11.724 6.181 -6.807 1.00 0.00 N ATOM 67 CA PRO A 8 10.872 6.743 -7.841 1.00 0.00 C ATOM 68 C PRO A 8 11.276 8.184 -8.161 1.00 0.00 C ATOM 69 O PRO A 8 12.251 8.695 -7.612 1.00 0.00 O ATOM 70 CB PRO A 8 9.460 6.631 -7.290 1.00 0.00 C ATOM 71 CG PRO A 8 9.611 6.441 -5.790 1.00 0.00 C ATOM 72 CD PRO A 8 11.063 6.093 -5.508 1.00 0.00 C ATOM 0 HA PRO A 8 10.958 6.215 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.881 7.527 -7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.931 5.790 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.326 7.350 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.953 5.647 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.504 6.786 -4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.155 5.093 -5.083 1.00 0.00 H new ATOM 80 N ASP A 9 10.506 8.797 -9.047 1.00 0.00 N ATOM 81 CA ASP A 9 10.772 10.169 -9.447 1.00 0.00 C ATOM 82 C ASP A 9 9.807 11.105 -8.716 1.00 0.00 C ATOM 83 O ASP A 9 9.037 11.825 -9.349 1.00 0.00 O ATOM 84 CB ASP A 9 10.563 10.355 -10.951 1.00 0.00 C ATOM 85 CG ASP A 9 11.576 9.630 -11.839 1.00 0.00 C ATOM 86 OD1 ASP A 9 12.051 8.559 -11.402 1.00 0.00 O ATOM 87 OD2 ASP A 9 11.853 10.162 -12.936 1.00 0.00 O ATOM 0 H ASP A 9 9.698 8.370 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 9 11.808 10.398 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.562 10.008 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.600 11.420 -11.179 1.00 0.00 H new ATOM 92 N VAL A 10 9.881 11.064 -7.394 1.00 0.00 N ATOM 93 CA VAL A 10 9.023 11.899 -6.571 1.00 0.00 C ATOM 94 C VAL A 10 7.604 11.885 -7.142 1.00 0.00 C ATOM 95 O VAL A 10 7.010 12.939 -7.364 1.00 0.00 O ATOM 96 CB VAL A 10 9.611 13.308 -6.464 1.00 0.00 C ATOM 97 CG1 VAL A 10 9.718 13.962 -7.843 1.00 0.00 C ATOM 98 CG2 VAL A 10 8.788 14.174 -5.509 1.00 0.00 C ATOM 0 H VAL A 10 10.522 10.466 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 10 8.968 11.506 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 10 10.617 13.222 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.139 14.962 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.365 13.361 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.727 14.030 -8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.227 15.170 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.765 14.249 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.785 13.721 -4.518 1.00 0.00 H new ATOM 108 N ARG A 11 7.101 10.679 -7.364 1.00 0.00 N ATOM 109 CA ARG A 11 5.763 10.514 -7.905 1.00 0.00 C ATOM 110 C ARG A 11 4.716 10.927 -6.868 1.00 0.00 C ATOM 111 O ARG A 11 3.895 10.112 -6.451 1.00 0.00 O ATOM 112 CB ARG A 11 5.513 9.063 -8.322 1.00 0.00 C ATOM 113 CG ARG A 11 6.304 8.711 -9.583 1.00 0.00 C ATOM 114 CD ARG A 11 5.367 8.454 -10.765 1.00 0.00 C ATOM 115 NE ARG A 11 5.887 7.343 -11.592 1.00 0.00 N ATOM 116 CZ ARG A 11 6.979 7.428 -12.364 1.00 0.00 C ATOM 117 NH1 ARG A 11 7.672 8.574 -12.420 1.00 0.00 N ATOM 118 NH2 ARG A 11 7.378 6.368 -13.080 1.00 0.00 N ATOM 0 H ARG A 11 7.597 9.807 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 11 5.680 11.153 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.798 8.393 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.449 8.911 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.988 9.524 -9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.914 7.826 -9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.368 8.211 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.275 9.356 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 11 5.383 6.457 -11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.368 9.381 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.503 8.639 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.850 5.496 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.209 6.433 -13.668 1.00 0.00 H new ATOM 132 N ARG A 12 4.780 12.193 -6.482 1.00 0.00 N ATOM 133 CA ARG A 12 3.848 12.724 -5.502 1.00 0.00 C ATOM 134 C ARG A 12 3.990 14.244 -5.404 1.00 0.00 C ATOM 135 O ARG A 12 4.999 14.746 -4.911 1.00 0.00 O ATOM 136 CB ARG A 12 4.087 12.106 -4.123 1.00 0.00 C ATOM 137 CG ARG A 12 5.581 12.055 -3.797 1.00 0.00 C ATOM 138 CD ARG A 12 5.883 10.949 -2.784 1.00 0.00 C ATOM 139 NE ARG A 12 6.560 11.521 -1.598 1.00 0.00 N ATOM 140 CZ ARG A 12 7.810 12.004 -1.607 1.00 0.00 C ATOM 141 NH1 ARG A 12 8.527 11.987 -2.738 1.00 0.00 N ATOM 142 NH2 ARG A 12 8.343 12.503 -0.483 1.00 0.00 N ATOM 0 H ARG A 12 5.463 12.866 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 12 2.840 12.470 -5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.565 12.689 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.670 11.099 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.151 11.882 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.903 13.017 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.958 10.457 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.515 10.188 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 12 6.043 11.549 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.122 11.606 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.478 12.355 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.797 12.515 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.294 12.871 -0.489 1.00 0.00 H new ATOM 156 N ASP A 13 2.964 14.934 -5.881 1.00 0.00 N ATOM 157 CA ASP A 13 2.962 16.387 -5.853 1.00 0.00 C ATOM 158 C ASP A 13 1.639 16.902 -6.424 1.00 0.00 C ATOM 159 O ASP A 13 1.048 17.835 -5.884 1.00 0.00 O ATOM 160 CB ASP A 13 4.098 16.956 -6.706 1.00 0.00 C ATOM 161 CG ASP A 13 4.655 18.299 -6.228 1.00 0.00 C ATOM 162 OD1 ASP A 13 3.875 19.275 -6.246 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.848 18.318 -5.855 1.00 0.00 O ATOM 0 H ASP A 13 2.129 14.514 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 13 3.094 16.704 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.911 16.231 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.741 17.071 -7.729 1.00 0.00 H new ATOM 168 N LYS A 14 1.214 16.271 -7.509 1.00 0.00 N ATOM 169 CA LYS A 14 -0.028 16.654 -8.159 1.00 0.00 C ATOM 170 C LYS A 14 -1.163 15.769 -7.640 1.00 0.00 C ATOM 171 O LYS A 14 -0.918 14.695 -7.093 1.00 0.00 O ATOM 172 CB LYS A 14 0.132 16.622 -9.680 1.00 0.00 C ATOM 173 CG LYS A 14 0.900 17.848 -10.177 1.00 0.00 C ATOM 174 CD LYS A 14 -0.052 19.012 -10.463 1.00 0.00 C ATOM 175 CE LYS A 14 0.273 20.216 -9.577 1.00 0.00 C ATOM 176 NZ LYS A 14 -0.964 20.771 -8.984 1.00 0.00 N ATOM 0 H LYS A 14 1.708 15.497 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.287 17.683 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.659 15.714 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.850 16.588 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.634 18.149 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.452 17.594 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.022 19.298 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.081 18.696 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.961 19.918 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.777 20.983 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.836 21.787 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.757 20.635 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.170 20.282 -8.090 1.00 0.00 H new ATOM 190 N PRO A 15 -2.414 16.265 -7.836 1.00 0.00 N ATOM 191 CA PRO A 15 -3.588 15.532 -7.395 1.00 0.00 C ATOM 192 C PRO A 15 -3.875 14.348 -8.321 1.00 0.00 C ATOM 193 O PRO A 15 -3.849 14.491 -9.543 1.00 0.00 O ATOM 194 CB PRO A 15 -4.709 16.558 -7.377 1.00 0.00 C ATOM 195 CG PRO A 15 -4.234 17.710 -8.247 1.00 0.00 C ATOM 196 CD PRO A 15 -2.743 17.534 -8.480 1.00 0.00 C ATOM 0 HA PRO A 15 -3.459 15.086 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.635 16.132 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.914 16.895 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.770 17.718 -9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.434 18.664 -7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.509 17.510 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.175 18.357 -8.047 1.00 0.00 H new ATOM 204 N VAL A 16 -4.143 13.207 -7.705 1.00 0.00 N ATOM 205 CA VAL A 16 -4.435 11.999 -8.459 1.00 0.00 C ATOM 206 C VAL A 16 -5.444 12.324 -9.562 1.00 0.00 C ATOM 207 O VAL A 16 -6.143 13.334 -9.492 1.00 0.00 O ATOM 208 CB VAL A 16 -4.916 10.896 -7.515 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.745 10.290 -6.738 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.993 11.420 -6.562 1.00 0.00 C ATOM 0 H VAL A 16 -4.164 13.093 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.533 11.623 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.360 10.107 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.114 9.508 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.027 9.862 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.259 11.067 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.317 10.616 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.585 12.236 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.844 11.782 -7.139 1.00 0.00 H new ATOM 220 N THR A 17 -5.489 11.448 -10.555 1.00 0.00 N ATOM 221 CA THR A 17 -6.401 11.629 -11.672 1.00 0.00 C ATOM 222 C THR A 17 -7.068 10.301 -12.036 1.00 0.00 C ATOM 223 O THR A 17 -6.635 9.241 -11.587 1.00 0.00 O ATOM 224 CB THR A 17 -5.617 12.252 -12.828 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.526 12.216 -13.924 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.448 11.375 -13.283 1.00 0.00 C ATOM 0 H THR A 17 -4.909 10.611 -10.609 1.00 0.00 H new ATOM 0 HA THR A 17 -7.215 12.305 -11.412 1.00 0.00 H new ATOM 0 HB THR A 17 -5.241 13.229 -12.526 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.099 12.603 -14.716 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.925 11.864 -14.105 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.759 11.227 -12.452 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.826 10.409 -13.617 1.00 0.00 H new ATOM 234 N GLY A 18 -8.111 10.402 -12.847 1.00 0.00 N ATOM 235 CA GLY A 18 -8.842 9.222 -13.277 1.00 0.00 C ATOM 236 C GLY A 18 -7.886 8.065 -13.578 1.00 0.00 C ATOM 237 O GLY A 18 -8.167 6.918 -13.235 1.00 0.00 O ATOM 0 H GLY A 18 -8.467 11.283 -13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.547 8.924 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.427 9.456 -14.166 1.00 0.00 H new ATOM 241 N GLU A 19 -6.777 8.407 -14.217 1.00 0.00 N ATOM 242 CA GLU A 19 -5.779 7.411 -14.569 1.00 0.00 C ATOM 243 C GLU A 19 -5.285 6.689 -13.314 1.00 0.00 C ATOM 244 O GLU A 19 -5.162 5.465 -13.306 1.00 0.00 O ATOM 245 CB GLU A 19 -4.614 8.048 -15.329 1.00 0.00 C ATOM 246 CG GLU A 19 -3.598 6.989 -15.763 1.00 0.00 C ATOM 247 CD GLU A 19 -2.959 7.358 -17.103 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.030 8.193 -17.078 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.416 6.796 -18.123 1.00 0.00 O ATOM 0 H GLU A 19 -6.547 9.360 -14.500 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.242 6.677 -15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.992 8.575 -16.205 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.125 8.789 -14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.824 6.889 -15.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.090 6.020 -15.846 1.00 0.00 H new ATOM 256 N GLN A 20 -5.015 7.477 -12.284 1.00 0.00 N ATOM 257 CA GLN A 20 -4.537 6.927 -11.026 1.00 0.00 C ATOM 258 C GLN A 20 -5.701 6.334 -10.230 1.00 0.00 C ATOM 259 O GLN A 20 -5.651 5.175 -9.820 1.00 0.00 O ATOM 260 CB GLN A 20 -3.799 7.989 -10.209 1.00 0.00 C ATOM 261 CG GLN A 20 -2.517 8.433 -10.917 1.00 0.00 C ATOM 262 CD GLN A 20 -1.510 9.006 -9.918 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.379 8.545 -8.796 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.807 10.033 -10.387 1.00 0.00 N ATOM 0 H GLN A 20 -5.118 8.492 -12.294 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.829 6.128 -11.247 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.449 8.850 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.555 7.591 -9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.074 7.586 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.755 9.184 -11.671 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.967 10.369 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.108 10.484 -9.797 1.00 0.00 H new ATOM 273 N ILE A 21 -6.723 7.155 -10.035 1.00 0.00 N ATOM 274 CA ILE A 21 -7.897 6.725 -9.295 1.00 0.00 C ATOM 275 C ILE A 21 -8.224 5.276 -9.662 1.00 0.00 C ATOM 276 O ILE A 21 -8.113 4.380 -8.827 1.00 0.00 O ATOM 277 CB ILE A 21 -9.058 7.695 -9.524 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.739 9.077 -8.952 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.364 7.129 -8.961 1.00 0.00 C ATOM 280 CD1 ILE A 21 -9.980 9.973 -8.957 1.00 0.00 C ATOM 0 H ILE A 21 -6.762 8.115 -10.377 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.701 6.745 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.196 7.816 -10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.364 8.975 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.947 9.543 -9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.173 7.838 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.594 6.185 -9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.256 6.961 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.725 10.950 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.338 10.093 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.761 9.516 -8.350 1.00 0.00 H new ATOM 292 N GLU A 22 -8.622 5.092 -10.913 1.00 0.00 N ATOM 293 CA GLU A 22 -8.966 3.767 -11.400 1.00 0.00 C ATOM 294 C GLU A 22 -8.008 2.723 -10.823 1.00 0.00 C ATOM 295 O GLU A 22 -8.443 1.716 -10.267 1.00 0.00 O ATOM 296 CB GLU A 22 -8.962 3.728 -12.930 1.00 0.00 C ATOM 297 CG GLU A 22 -7.692 4.370 -13.492 1.00 0.00 C ATOM 298 CD GLU A 22 -6.700 3.305 -13.962 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.700 2.218 -13.345 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.965 3.601 -14.928 1.00 0.00 O ATOM 0 H GLU A 22 -8.714 5.838 -11.603 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.976 3.529 -11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.033 2.695 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.838 4.251 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.949 5.025 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.227 4.993 -12.728 1.00 0.00 H new ATOM 307 N VAL A 23 -6.721 3.000 -10.974 1.00 0.00 N ATOM 308 CA VAL A 23 -5.698 2.097 -10.474 1.00 0.00 C ATOM 309 C VAL A 23 -5.869 1.925 -8.963 1.00 0.00 C ATOM 310 O VAL A 23 -6.056 0.810 -8.480 1.00 0.00 O ATOM 311 CB VAL A 23 -4.310 2.612 -10.863 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.251 2.144 -9.863 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.947 2.187 -12.287 1.00 0.00 C ATOM 0 H VAL A 23 -6.363 3.837 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.804 1.112 -10.928 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.337 3.701 -10.836 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.274 2.524 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.497 2.520 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.226 1.054 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.956 2.566 -12.538 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.947 1.099 -12.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.679 2.593 -12.986 1.00 0.00 H new ATOM 323 N PHE A 24 -5.801 3.046 -8.261 1.00 0.00 N ATOM 324 CA PHE A 24 -5.946 3.033 -6.815 1.00 0.00 C ATOM 325 C PHE A 24 -7.139 2.173 -6.392 1.00 0.00 C ATOM 326 O PHE A 24 -7.005 1.294 -5.541 1.00 0.00 O ATOM 327 CB PHE A 24 -6.194 4.478 -6.377 1.00 0.00 C ATOM 328 CG PHE A 24 -5.318 4.933 -5.208 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.611 4.532 -3.942 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.245 5.737 -5.435 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.798 4.955 -2.857 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.432 6.160 -4.350 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.726 5.759 -3.084 1.00 0.00 C ATOM 0 H PHE A 24 -5.647 3.969 -8.666 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.050 2.617 -6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.021 5.139 -7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.242 4.587 -6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.462 3.892 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.011 6.054 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.032 4.638 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.581 6.800 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.107 6.080 -2.259 1.00 0.00 H new ATOM 343 N ALA A 25 -8.279 2.456 -7.005 1.00 0.00 N ATOM 344 CA ALA A 25 -9.494 1.720 -6.702 1.00 0.00 C ATOM 345 C ALA A 25 -9.154 0.241 -6.508 1.00 0.00 C ATOM 346 O ALA A 25 -9.321 -0.300 -5.416 1.00 0.00 O ATOM 347 CB ALA A 25 -10.517 1.941 -7.818 1.00 0.00 C ATOM 0 H ALA A 25 -8.387 3.185 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.940 2.081 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.429 1.389 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.747 3.004 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.106 1.588 -8.764 1.00 0.00 H new ATOM 353 N ASN A 26 -8.684 -0.372 -7.584 1.00 0.00 N ATOM 354 CA ASN A 26 -8.319 -1.778 -7.546 1.00 0.00 C ATOM 355 C ASN A 26 -7.498 -2.053 -6.284 1.00 0.00 C ATOM 356 O ASN A 26 -7.749 -3.027 -5.576 1.00 0.00 O ATOM 357 CB ASN A 26 -7.466 -2.159 -8.758 1.00 0.00 C ATOM 358 CG ASN A 26 -8.250 -1.981 -10.059 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.934 -2.875 -10.529 1.00 0.00 O ATOM 360 ND2 ASN A 26 -8.115 -0.779 -10.612 1.00 0.00 N ATOM 0 H ASN A 26 -8.547 0.079 -8.488 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.237 -2.365 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.568 -1.542 -8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.139 -3.195 -8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.600 -0.561 -11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.526 -0.076 -10.166 1.00 0.00 H new ATOM 367 N LYS A 27 -6.534 -1.177 -6.042 1.00 0.00 N ATOM 368 CA LYS A 27 -5.675 -1.314 -4.878 1.00 0.00 C ATOM 369 C LYS A 27 -6.523 -1.215 -3.608 1.00 0.00 C ATOM 370 O LYS A 27 -6.525 -2.129 -2.786 1.00 0.00 O ATOM 371 CB LYS A 27 -4.532 -0.299 -4.934 1.00 0.00 C ATOM 372 CG LYS A 27 -3.454 -0.740 -5.927 1.00 0.00 C ATOM 373 CD LYS A 27 -2.937 0.449 -6.738 1.00 0.00 C ATOM 374 CE LYS A 27 -1.460 0.715 -6.440 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.597 -0.067 -7.354 1.00 0.00 N ATOM 0 H LYS A 27 -6.329 -0.370 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.200 -2.295 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.921 0.677 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.093 -0.185 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.628 -1.205 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.861 -1.494 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.067 0.252 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.525 1.337 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.247 1.778 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.238 0.451 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.402 0.126 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.789 -1.082 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.797 0.205 -8.338 1.00 0.00 H new ATOM 389 N LEU A 28 -7.225 -0.097 -3.489 1.00 0.00 N ATOM 390 CA LEU A 28 -8.076 0.133 -2.334 1.00 0.00 C ATOM 391 C LEU A 28 -8.892 -1.129 -2.048 1.00 0.00 C ATOM 392 O LEU A 28 -8.695 -1.781 -1.024 1.00 0.00 O ATOM 393 CB LEU A 28 -8.931 1.385 -2.540 1.00 0.00 C ATOM 394 CG LEU A 28 -9.542 1.994 -1.276 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.564 1.916 -0.102 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.017 3.426 -1.533 1.00 0.00 C ATOM 0 H LEU A 28 -7.222 0.659 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.472 0.330 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.318 2.144 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.739 1.140 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.419 1.408 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.023 2.356 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.317 0.873 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.655 2.464 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.447 3.836 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.171 4.040 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.771 3.423 -2.320 1.00 0.00 H new ATOM 408 N GLY A 29 -9.791 -1.436 -2.972 1.00 0.00 N ATOM 409 CA GLY A 29 -10.638 -2.608 -2.831 1.00 0.00 C ATOM 410 C GLY A 29 -11.781 -2.345 -1.849 1.00 0.00 C ATOM 411 O GLY A 29 -12.551 -1.402 -2.025 1.00 0.00 O ATOM 0 H GLY A 29 -9.951 -0.893 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.046 -2.885 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.042 -3.452 -2.483 1.00 0.00 H new ATOM 415 N GLU A 30 -11.855 -3.195 -0.835 1.00 0.00 N ATOM 416 CA GLU A 30 -12.891 -3.066 0.176 1.00 0.00 C ATOM 417 C GLU A 30 -12.422 -2.140 1.300 1.00 0.00 C ATOM 418 O GLU A 30 -13.154 -1.906 2.261 1.00 0.00 O ATOM 419 CB GLU A 30 -13.295 -4.435 0.725 1.00 0.00 C ATOM 420 CG GLU A 30 -12.335 -4.888 1.827 1.00 0.00 C ATOM 421 CD GLU A 30 -12.458 -6.393 2.076 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.148 -7.152 1.133 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.859 -6.751 3.205 1.00 0.00 O ATOM 0 H GLU A 30 -11.214 -3.976 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.772 -2.624 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.310 -4.388 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.300 -5.168 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.311 -4.645 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.549 -4.345 2.747 1.00 0.00 H new ATOM 430 N GLN A 31 -11.206 -1.639 1.143 1.00 0.00 N ATOM 431 CA GLN A 31 -10.632 -0.744 2.133 1.00 0.00 C ATOM 432 C GLN A 31 -11.163 0.677 1.937 1.00 0.00 C ATOM 433 O GLN A 31 -10.812 1.585 2.689 1.00 0.00 O ATOM 434 CB GLN A 31 -9.103 -0.771 2.075 1.00 0.00 C ATOM 435 CG GLN A 31 -8.536 -1.824 3.029 1.00 0.00 C ATOM 436 CD GLN A 31 -8.079 -3.067 2.264 1.00 0.00 C ATOM 437 OE1 GLN A 31 -8.533 -3.356 1.169 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.157 -3.785 2.900 1.00 0.00 N ATOM 0 H GLN A 31 -10.602 -1.836 0.345 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.932 -1.089 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.778 -0.985 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.708 0.211 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.696 -1.404 3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.294 -2.102 3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.820 -3.486 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.787 -4.634 2.472 1.00 0.00 H new ATOM 447 N TRP A 32 -12.002 0.826 0.922 1.00 0.00 N ATOM 448 CA TRP A 32 -12.585 2.121 0.617 1.00 0.00 C ATOM 449 C TRP A 32 -13.427 2.555 1.818 1.00 0.00 C ATOM 450 O TRP A 32 -13.660 3.746 2.019 1.00 0.00 O ATOM 451 CB TRP A 32 -13.386 2.068 -0.686 1.00 0.00 C ATOM 452 CG TRP A 32 -14.755 1.399 -0.548 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.068 0.112 -0.751 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.991 2.039 -0.167 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.410 -0.124 -0.529 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.989 1.086 -0.163 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.257 3.379 0.163 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.320 1.370 0.164 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.592 3.648 0.488 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.608 2.699 0.497 1.00 0.00 C ATOM 0 H TRP A 32 -12.292 0.071 0.301 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.806 2.865 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.525 3.084 -1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.805 1.532 -1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.359 -0.646 -1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.888 -1.021 -0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.492 4.141 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.083 0.606 0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.851 4.663 0.750 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.615 2.986 0.760 1.00 0.00 H new ATOM 471 N LYS A 33 -13.859 1.566 2.587 1.00 0.00 N ATOM 472 CA LYS A 33 -14.669 1.831 3.763 1.00 0.00 C ATOM 473 C LYS A 33 -13.753 2.139 4.949 1.00 0.00 C ATOM 474 O LYS A 33 -14.212 2.619 5.984 1.00 0.00 O ATOM 475 CB LYS A 33 -15.638 0.674 4.018 1.00 0.00 C ATOM 476 CG LYS A 33 -17.031 1.195 4.377 1.00 0.00 C ATOM 477 CD LYS A 33 -17.986 0.040 4.683 1.00 0.00 C ATOM 478 CE LYS A 33 -19.087 0.480 5.650 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.157 -0.540 5.716 1.00 0.00 N ATOM 0 H LYS A 33 -13.663 0.579 2.418 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.293 2.710 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.699 0.044 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.260 0.050 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.965 1.855 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.425 1.789 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.433 -0.322 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.430 -0.792 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.665 0.638 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.505 1.433 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.896 -0.226 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.570 -0.671 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.757 -1.441 6.047 1.00 0.00 H new ATOM 493 N ILE A 34 -12.474 1.849 4.759 1.00 0.00 N ATOM 494 CA ILE A 34 -11.489 2.089 5.800 1.00 0.00 C ATOM 495 C ILE A 34 -10.851 3.463 5.586 1.00 0.00 C ATOM 496 O ILE A 34 -10.334 4.065 6.526 1.00 0.00 O ATOM 497 CB ILE A 34 -10.477 0.943 5.855 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.183 -0.405 6.015 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.439 1.180 6.953 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.181 -1.560 5.953 1.00 0.00 C ATOM 0 H ILE A 34 -12.097 1.450 3.899 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.967 2.108 6.779 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.941 0.915 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.714 -0.431 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.930 -0.524 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.732 0.351 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.904 2.109 6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.940 1.250 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.709 -2.506 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.669 -1.546 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.450 -1.451 6.755 1.00 0.00 H new ATOM 512 N LEU A 35 -10.909 3.920 4.344 1.00 0.00 N ATOM 513 CA LEU A 35 -10.343 5.212 3.994 1.00 0.00 C ATOM 514 C LEU A 35 -11.446 6.272 4.027 1.00 0.00 C ATOM 515 O LEU A 35 -11.161 7.469 4.026 1.00 0.00 O ATOM 516 CB LEU A 35 -9.608 5.130 2.655 1.00 0.00 C ATOM 517 CG LEU A 35 -8.081 5.063 2.731 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.446 5.512 1.413 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.556 5.865 3.923 1.00 0.00 C ATOM 0 H LEU A 35 -11.339 3.419 3.567 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.592 5.510 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.964 4.249 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.884 5.999 2.058 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.792 4.024 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.361 5.455 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.784 4.862 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.740 6.539 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.468 5.801 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.855 6.908 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.970 5.458 4.846 1.00 0.00 H new ATOM 531 N ALA A 36 -12.681 5.794 4.054 1.00 0.00 N ATOM 532 CA ALA A 36 -13.828 6.686 4.087 1.00 0.00 C ATOM 533 C ALA A 36 -13.794 7.506 5.378 1.00 0.00 C ATOM 534 O ALA A 36 -13.921 8.729 5.345 1.00 0.00 O ATOM 535 CB ALA A 36 -15.114 5.870 3.948 1.00 0.00 C ATOM 0 H ALA A 36 -12.913 4.801 4.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.794 7.385 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.974 6.539 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.102 5.330 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.184 5.158 4.771 1.00 0.00 H new ATOM 541 N PRO A 37 -13.618 6.781 6.515 1.00 0.00 N ATOM 542 CA PRO A 37 -13.566 7.427 7.815 1.00 0.00 C ATOM 543 C PRO A 37 -12.227 8.139 8.020 1.00 0.00 C ATOM 544 O PRO A 37 -11.997 8.749 9.063 1.00 0.00 O ATOM 545 CB PRO A 37 -13.805 6.312 8.819 1.00 0.00 C ATOM 546 CG PRO A 37 -13.521 5.016 8.078 1.00 0.00 C ATOM 547 CD PRO A 37 -13.464 5.331 6.593 1.00 0.00 C ATOM 0 HA PRO A 37 -14.315 8.211 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.151 6.419 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.830 6.333 9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.578 4.584 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.299 4.281 8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.519 5.009 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.257 4.819 6.049 1.00 0.00 H new ATOM 555 N TYR A 38 -11.378 8.037 7.008 1.00 0.00 N ATOM 556 CA TYR A 38 -10.068 8.664 7.064 1.00 0.00 C ATOM 557 C TYR A 38 -9.906 9.697 5.948 1.00 0.00 C ATOM 558 O TYR A 38 -8.875 10.361 5.857 1.00 0.00 O ATOM 559 CB TYR A 38 -9.053 7.538 6.852 1.00 0.00 C ATOM 560 CG TYR A 38 -8.660 6.804 8.135 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.505 5.854 8.673 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.462 7.092 8.756 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.135 5.163 9.881 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.092 6.401 9.964 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.947 5.470 10.466 1.00 0.00 C ATOM 566 OH TYR A 38 -7.598 4.817 11.607 1.00 0.00 O ATOM 0 H TYR A 38 -11.572 7.530 6.145 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.929 9.179 8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.467 6.818 6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.155 7.954 6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.443 5.629 8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.801 7.836 8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.787 4.418 10.312 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.157 6.617 10.460 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.724 5.137 11.913 1.00 0.00 H new ATOM 576 N LEU A 39 -10.941 9.802 5.127 1.00 0.00 N ATOM 577 CA LEU A 39 -10.926 10.744 4.021 1.00 0.00 C ATOM 578 C LEU A 39 -11.818 11.939 4.363 1.00 0.00 C ATOM 579 O LEU A 39 -12.036 12.814 3.527 1.00 0.00 O ATOM 580 CB LEU A 39 -11.310 10.043 2.716 1.00 0.00 C ATOM 581 CG LEU A 39 -10.148 9.536 1.860 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.102 8.826 2.721 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.652 8.647 0.721 1.00 0.00 C ATOM 0 H LEU A 39 -11.795 9.250 5.206 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.920 11.132 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.954 9.197 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.903 10.734 2.116 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.659 10.397 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.287 8.475 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.711 9.520 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.562 7.976 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.806 8.300 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.180 7.789 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.330 9.218 0.086 1.00 0.00 H new ATOM 595 N GLU A 40 -12.310 11.937 5.593 1.00 0.00 N ATOM 596 CA GLU A 40 -13.173 13.010 6.056 1.00 0.00 C ATOM 597 C GLU A 40 -14.427 13.096 5.184 1.00 0.00 C ATOM 598 O GLU A 40 -14.807 14.179 4.741 1.00 0.00 O ATOM 599 CB GLU A 40 -12.426 14.345 6.074 1.00 0.00 C ATOM 600 CG GLU A 40 -11.089 14.216 6.807 1.00 0.00 C ATOM 601 CD GLU A 40 -10.420 15.581 6.973 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.766 16.267 7.960 1.00 0.00 O ATOM 603 OE2 GLU A 40 -9.578 15.909 6.110 1.00 0.00 O ATOM 0 H GLU A 40 -12.127 11.209 6.283 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.479 12.788 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.253 14.683 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.040 15.103 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.249 13.764 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.429 13.549 6.252 1.00 0.00 H new ATOM 610 N MET A 41 -15.036 11.940 4.963 1.00 0.00 N ATOM 611 CA MET A 41 -16.239 11.871 4.152 1.00 0.00 C ATOM 612 C MET A 41 -17.494 11.960 5.023 1.00 0.00 C ATOM 613 O MET A 41 -17.402 12.197 6.227 1.00 0.00 O ATOM 614 CB MET A 41 -16.253 10.555 3.370 1.00 0.00 C ATOM 615 CG MET A 41 -14.970 10.389 2.555 1.00 0.00 C ATOM 616 SD MET A 41 -14.776 11.764 1.434 1.00 0.00 S ATOM 617 CE MET A 41 -15.166 10.962 -0.112 1.00 0.00 C ATOM 0 H MET A 41 -14.718 11.044 5.332 1.00 0.00 H new ATOM 0 HA MET A 41 -16.238 12.715 3.462 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.360 9.719 4.061 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.116 10.532 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.111 10.330 3.223 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.004 9.455 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.542 11.700 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.268 10.496 -0.517 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.927 10.199 0.055 1.00 0.00 H new ATOM 627 N LYS A 42 -18.636 11.766 4.382 1.00 0.00 N ATOM 628 CA LYS A 42 -19.908 11.822 5.083 1.00 0.00 C ATOM 629 C LYS A 42 -20.544 10.430 5.089 1.00 0.00 C ATOM 630 O LYS A 42 -20.605 9.768 4.054 1.00 0.00 O ATOM 631 CB LYS A 42 -20.804 12.906 4.481 1.00 0.00 C ATOM 632 CG LYS A 42 -20.160 14.287 4.613 1.00 0.00 C ATOM 633 CD LYS A 42 -20.614 14.983 5.898 1.00 0.00 C ATOM 634 CE LYS A 42 -22.090 15.377 5.815 1.00 0.00 C ATOM 635 NZ LYS A 42 -22.229 16.842 5.661 1.00 0.00 N ATOM 0 H LYS A 42 -18.708 11.570 3.384 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.757 12.108 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.990 12.687 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.772 12.903 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.075 14.188 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.424 14.899 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.458 14.321 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.006 15.871 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.560 14.871 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.611 15.049 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.237 17.091 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.798 17.319 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.749 17.147 4.790 1.00 0.00 H new ATOM 649 N ASP A 43 -21.001 10.029 6.266 1.00 0.00 N ATOM 650 CA ASP A 43 -21.631 8.728 6.419 1.00 0.00 C ATOM 651 C ASP A 43 -22.572 8.479 5.239 1.00 0.00 C ATOM 652 O ASP A 43 -22.530 7.416 4.621 1.00 0.00 O ATOM 653 CB ASP A 43 -22.458 8.665 7.705 1.00 0.00 C ATOM 654 CG ASP A 43 -23.033 7.287 8.037 1.00 0.00 C ATOM 655 OD1 ASP A 43 -22.368 6.292 7.674 1.00 0.00 O ATOM 656 OD2 ASP A 43 -24.123 7.259 8.647 1.00 0.00 O ATOM 0 H ASP A 43 -20.948 10.581 7.122 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.844 7.975 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.834 8.992 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.281 9.376 7.625 1.00 0.00 H new ATOM 661 N SER A 44 -23.398 9.476 4.962 1.00 0.00 N ATOM 662 CA SER A 44 -24.348 9.379 3.866 1.00 0.00 C ATOM 663 C SER A 44 -23.634 8.920 2.593 1.00 0.00 C ATOM 664 O SER A 44 -24.066 7.971 1.942 1.00 0.00 O ATOM 665 CB SER A 44 -25.053 10.715 3.627 1.00 0.00 C ATOM 666 OG SER A 44 -24.127 11.779 3.425 1.00 0.00 O ATOM 0 H SER A 44 -23.430 10.356 5.477 1.00 0.00 H new ATOM 0 HA SER A 44 -25.106 8.643 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.704 10.631 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.690 10.946 4.480 1.00 0.00 H new ATOM 0 HG SER A 44 -24.617 12.614 3.274 1.00 0.00 H new ATOM 672 N GLU A 45 -22.552 9.617 2.277 1.00 0.00 N ATOM 673 CA GLU A 45 -21.773 9.293 1.094 1.00 0.00 C ATOM 674 C GLU A 45 -21.424 7.804 1.079 1.00 0.00 C ATOM 675 O GLU A 45 -21.704 7.107 0.105 1.00 0.00 O ATOM 676 CB GLU A 45 -20.510 10.153 1.017 1.00 0.00 C ATOM 677 CG GLU A 45 -20.589 11.140 -0.150 1.00 0.00 C ATOM 678 CD GLU A 45 -20.801 10.406 -1.476 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.778 10.014 -2.077 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.981 10.254 -1.858 1.00 0.00 O ATOM 0 H GLU A 45 -22.197 10.404 2.819 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.377 9.513 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.380 10.699 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.636 9.512 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.407 11.841 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.671 11.727 -0.198 1.00 0.00 H new ATOM 687 N ILE A 46 -20.818 7.360 2.170 1.00 0.00 N ATOM 688 CA ILE A 46 -20.428 5.966 2.294 1.00 0.00 C ATOM 689 C ILE A 46 -21.623 5.074 1.953 1.00 0.00 C ATOM 690 O ILE A 46 -21.466 4.042 1.301 1.00 0.00 O ATOM 691 CB ILE A 46 -19.835 5.697 3.679 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.591 6.555 3.919 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.548 4.206 3.872 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.268 6.645 5.412 1.00 0.00 C ATOM 0 H ILE A 46 -20.587 7.941 2.976 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.638 5.727 1.582 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.573 5.983 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.742 6.129 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.751 7.555 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.127 4.042 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.475 3.641 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.837 3.872 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.380 7.260 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.109 7.094 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.084 5.645 5.805 1.00 0.00 H new ATOM 706 N ARG A 47 -22.790 5.504 2.408 1.00 0.00 N ATOM 707 CA ARG A 47 -24.012 4.757 2.160 1.00 0.00 C ATOM 708 C ARG A 47 -24.395 4.844 0.681 1.00 0.00 C ATOM 709 O ARG A 47 -24.803 3.849 0.082 1.00 0.00 O ATOM 710 CB ARG A 47 -25.166 5.289 3.011 1.00 0.00 C ATOM 711 CG ARG A 47 -25.066 4.782 4.450 1.00 0.00 C ATOM 712 CD ARG A 47 -26.454 4.538 5.044 1.00 0.00 C ATOM 713 NE ARG A 47 -26.384 4.560 6.522 1.00 0.00 N ATOM 714 CZ ARG A 47 -27.441 4.385 7.327 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.656 4.175 6.802 1.00 0.00 N ATOM 716 NH2 ARG A 47 -27.283 4.422 8.658 1.00 0.00 N ATOM 0 H ARG A 47 -22.916 6.361 2.947 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.826 3.718 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.155 6.379 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.116 4.977 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.489 3.858 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.529 5.509 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.148 5.302 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.840 3.577 4.704 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.474 4.718 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.776 4.148 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.460 4.042 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.358 4.583 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.087 4.289 9.271 1.00 0.00 H new ATOM 730 N GLN A 48 -24.250 6.042 0.134 1.00 0.00 N ATOM 731 CA GLN A 48 -24.576 6.271 -1.263 1.00 0.00 C ATOM 732 C GLN A 48 -23.786 5.314 -2.157 1.00 0.00 C ATOM 733 O GLN A 48 -24.365 4.443 -2.805 1.00 0.00 O ATOM 734 CB GLN A 48 -24.316 7.727 -1.655 1.00 0.00 C ATOM 735 CG GLN A 48 -25.334 8.662 -0.998 1.00 0.00 C ATOM 736 CD GLN A 48 -26.647 8.682 -1.784 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.850 9.481 -2.683 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.524 7.761 -1.395 1.00 0.00 N ATOM 0 H GLN A 48 -23.911 6.864 0.633 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.639 6.075 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.308 8.013 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.368 7.830 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.523 8.338 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.924 9.670 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.290 7.123 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.431 7.693 -1.857 1.00 0.00 H new ATOM 747 N ILE A 49 -22.475 5.506 -2.163 1.00 0.00 N ATOM 748 CA ILE A 49 -21.599 4.670 -2.966 1.00 0.00 C ATOM 749 C ILE A 49 -22.040 3.211 -2.842 1.00 0.00 C ATOM 750 O ILE A 49 -22.434 2.591 -3.829 1.00 0.00 O ATOM 751 CB ILE A 49 -20.136 4.906 -2.586 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.732 6.361 -2.834 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.216 3.923 -3.313 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.623 6.793 -1.873 1.00 0.00 C ATOM 0 H ILE A 49 -21.998 6.229 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.677 4.938 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 49 -20.026 4.720 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.392 6.478 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.599 7.009 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.182 4.112 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.487 2.903 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.323 4.053 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.354 7.831 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.975 6.698 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.749 6.158 -2.017 1.00 0.00 H new ATOM 766 N GLU A 50 -21.958 2.703 -1.621 1.00 0.00 N ATOM 767 CA GLU A 50 -22.343 1.327 -1.355 1.00 0.00 C ATOM 768 C GLU A 50 -23.562 0.945 -2.197 1.00 0.00 C ATOM 769 O GLU A 50 -23.688 -0.199 -2.630 1.00 0.00 O ATOM 770 CB GLU A 50 -22.617 1.113 0.135 1.00 0.00 C ATOM 771 CG GLU A 50 -21.419 0.457 0.824 1.00 0.00 C ATOM 772 CD GLU A 50 -21.863 -0.345 2.049 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.605 0.236 2.869 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.450 -1.522 2.137 1.00 0.00 O ATOM 0 H GLU A 50 -21.631 3.220 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.514 0.677 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.835 2.070 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.500 0.487 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.906 -0.200 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.704 1.223 1.126 1.00 0.00 H new ATOM 781 N CYS A 51 -24.430 1.925 -2.404 1.00 0.00 N ATOM 782 CA CYS A 51 -25.634 1.706 -3.186 1.00 0.00 C ATOM 783 C CYS A 51 -25.307 1.974 -4.657 1.00 0.00 C ATOM 784 O CYS A 51 -25.509 1.109 -5.508 1.00 0.00 O ATOM 785 CB CYS A 51 -26.795 2.573 -2.693 1.00 0.00 C ATOM 786 SG CYS A 51 -28.389 1.750 -3.056 1.00 0.00 S ATOM 0 H CYS A 51 -24.323 2.873 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 51 -25.963 0.673 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.701 2.745 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.762 3.549 -3.177 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.368 2.493 -2.631 1.00 0.00 H new ATOM 792 N ASP A 52 -24.808 3.175 -4.910 1.00 0.00 N ATOM 793 CA ASP A 52 -24.451 3.567 -6.263 1.00 0.00 C ATOM 794 C ASP A 52 -23.812 2.377 -6.982 1.00 0.00 C ATOM 795 O ASP A 52 -24.143 2.091 -8.131 1.00 0.00 O ATOM 796 CB ASP A 52 -23.439 4.714 -6.255 1.00 0.00 C ATOM 797 CG ASP A 52 -23.826 5.923 -7.108 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.360 5.690 -8.214 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.579 7.054 -6.636 1.00 0.00 O ATOM 0 H ASP A 52 -24.642 3.889 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.359 3.891 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.296 5.045 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.479 4.334 -6.604 1.00 0.00 H new ATOM 804 N SER A 53 -22.906 1.716 -6.275 1.00 0.00 N ATOM 805 CA SER A 53 -22.218 0.564 -6.832 1.00 0.00 C ATOM 806 C SER A 53 -22.349 -0.631 -5.886 1.00 0.00 C ATOM 807 O SER A 53 -22.494 -0.458 -4.677 1.00 0.00 O ATOM 808 CB SER A 53 -20.742 0.877 -7.090 1.00 0.00 C ATOM 809 OG SER A 53 -20.130 1.522 -5.977 1.00 0.00 O ATOM 0 H SER A 53 -22.633 1.957 -5.322 1.00 0.00 H new ATOM 0 HA SER A 53 -22.682 0.316 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.209 -0.048 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.655 1.514 -7.971 1.00 0.00 H new ATOM 0 HG SER A 53 -19.834 2.418 -6.240 1.00 0.00 H new ATOM 815 N GLU A 54 -22.294 -1.818 -6.473 1.00 0.00 N ATOM 816 CA GLU A 54 -22.405 -3.042 -5.698 1.00 0.00 C ATOM 817 C GLU A 54 -21.020 -3.641 -5.450 1.00 0.00 C ATOM 818 O GLU A 54 -20.687 -4.000 -4.321 1.00 0.00 O ATOM 819 CB GLU A 54 -23.322 -4.050 -6.394 1.00 0.00 C ATOM 820 CG GLU A 54 -24.642 -4.205 -5.636 1.00 0.00 C ATOM 821 CD GLU A 54 -25.732 -4.776 -6.545 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.598 -5.962 -6.916 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.675 -4.013 -6.848 1.00 0.00 O ATOM 0 H GLU A 54 -22.174 -1.958 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.852 -2.799 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.521 -3.722 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.822 -5.016 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.498 -4.862 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.958 -3.237 -5.247 1.00 0.00 H new ATOM 830 N ASP A 55 -20.248 -3.730 -6.523 1.00 0.00 N ATOM 831 CA ASP A 55 -18.906 -4.280 -6.436 1.00 0.00 C ATOM 832 C ASP A 55 -18.072 -3.428 -5.477 1.00 0.00 C ATOM 833 O ASP A 55 -18.484 -2.335 -5.093 1.00 0.00 O ATOM 834 CB ASP A 55 -18.215 -4.266 -7.802 1.00 0.00 C ATOM 835 CG ASP A 55 -18.053 -5.638 -8.458 1.00 0.00 C ATOM 836 OD1 ASP A 55 -18.823 -6.545 -8.075 1.00 0.00 O ATOM 837 OD2 ASP A 55 -17.162 -5.750 -9.328 1.00 0.00 O ATOM 0 H ASP A 55 -20.526 -3.430 -7.457 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.985 -5.308 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.784 -3.624 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.229 -3.815 -7.689 1.00 0.00 H new ATOM 842 N MET A 56 -16.914 -3.962 -5.116 1.00 0.00 N ATOM 843 CA MET A 56 -16.019 -3.265 -4.209 1.00 0.00 C ATOM 844 C MET A 56 -15.135 -2.272 -4.966 1.00 0.00 C ATOM 845 O MET A 56 -14.907 -1.157 -4.500 1.00 0.00 O ATOM 846 CB MET A 56 -15.137 -4.281 -3.480 1.00 0.00 C ATOM 847 CG MET A 56 -15.265 -4.128 -1.963 1.00 0.00 C ATOM 848 SD MET A 56 -16.283 -5.436 -1.301 1.00 0.00 S ATOM 849 CE MET A 56 -17.756 -4.510 -0.902 1.00 0.00 C ATOM 0 H MET A 56 -16.575 -4.870 -5.436 1.00 0.00 H new ATOM 0 HA MET A 56 -16.621 -2.711 -3.489 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.422 -5.292 -3.773 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.097 -4.144 -3.777 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.278 -4.156 -1.502 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.702 -3.159 -1.723 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.502 -5.180 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.511 -3.731 -0.180 1.00 0.00 H new ATOM 0 HE3 MET A 56 -18.155 -4.053 -1.808 1.00 0.00 H new ATOM 859 N LYS A 57 -14.660 -2.713 -6.121 1.00 0.00 N ATOM 860 CA LYS A 57 -13.805 -1.878 -6.948 1.00 0.00 C ATOM 861 C LYS A 57 -14.505 -0.543 -7.211 1.00 0.00 C ATOM 862 O LYS A 57 -13.963 0.518 -6.904 1.00 0.00 O ATOM 863 CB LYS A 57 -13.400 -2.621 -8.222 1.00 0.00 C ATOM 864 CG LYS A 57 -12.339 -3.682 -7.924 1.00 0.00 C ATOM 865 CD LYS A 57 -12.073 -4.552 -9.154 1.00 0.00 C ATOM 866 CE LYS A 57 -11.878 -6.017 -8.758 1.00 0.00 C ATOM 867 NZ LYS A 57 -13.102 -6.798 -9.045 1.00 0.00 N ATOM 0 H LYS A 57 -14.851 -3.639 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.874 -1.654 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.276 -3.093 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.014 -1.911 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.414 -3.198 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.669 -4.309 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.907 -4.468 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.186 -4.191 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.034 -6.438 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.637 -6.084 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.953 -7.790 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.899 -6.405 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.315 -6.748 -10.062 1.00 0.00 H new ATOM 881 N MET A 58 -15.700 -0.639 -7.776 1.00 0.00 N ATOM 882 CA MET A 58 -16.480 0.548 -8.083 1.00 0.00 C ATOM 883 C MET A 58 -16.562 1.479 -6.872 1.00 0.00 C ATOM 884 O MET A 58 -16.142 2.633 -6.941 1.00 0.00 O ATOM 885 CB MET A 58 -17.891 0.136 -8.508 1.00 0.00 C ATOM 886 CG MET A 58 -17.922 -0.273 -9.982 1.00 0.00 C ATOM 887 SD MET A 58 -18.940 0.863 -10.909 1.00 0.00 S ATOM 888 CE MET A 58 -17.901 2.314 -10.867 1.00 0.00 C ATOM 0 H MET A 58 -16.147 -1.520 -8.029 1.00 0.00 H new ATOM 0 HA MET A 58 -15.988 1.083 -8.895 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.233 -0.694 -7.889 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.581 0.963 -8.342 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.910 -0.281 -10.387 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.312 -1.286 -10.079 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.356 3.105 -11.464 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.792 2.654 -9.837 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.920 2.071 -11.274 1.00 0.00 H new ATOM 898 N ARG A 59 -17.107 0.943 -5.789 1.00 0.00 N ATOM 899 CA ARG A 59 -17.250 1.711 -4.565 1.00 0.00 C ATOM 900 C ARG A 59 -15.954 2.463 -4.255 1.00 0.00 C ATOM 901 O ARG A 59 -15.980 3.654 -3.951 1.00 0.00 O ATOM 902 CB ARG A 59 -17.600 0.804 -3.383 1.00 0.00 C ATOM 903 CG ARG A 59 -18.973 0.157 -3.576 1.00 0.00 C ATOM 904 CD ARG A 59 -19.230 -0.912 -2.512 1.00 0.00 C ATOM 905 NE ARG A 59 -20.603 -1.444 -2.652 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.219 -2.188 -1.722 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.586 -2.491 -0.580 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.467 -2.628 -1.934 1.00 0.00 N ATOM 0 H ARG A 59 -17.455 -0.014 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.061 2.424 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.841 0.029 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.594 1.384 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.749 0.921 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.032 -0.291 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.506 -1.720 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.095 -0.487 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.113 -1.232 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.636 -2.156 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.054 -3.057 0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.948 -2.397 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.935 -3.194 -1.226 1.00 0.00 H new ATOM 922 N ALA A 60 -14.850 1.736 -4.344 1.00 0.00 N ATOM 923 CA ALA A 60 -13.546 2.319 -4.077 1.00 0.00 C ATOM 924 C ALA A 60 -13.326 3.514 -5.007 1.00 0.00 C ATOM 925 O ALA A 60 -13.082 4.627 -4.546 1.00 0.00 O ATOM 926 CB ALA A 60 -12.465 1.248 -4.238 1.00 0.00 C ATOM 0 H ALA A 60 -14.832 0.748 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.492 2.685 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.487 1.685 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.650 0.436 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.487 0.859 -5.256 1.00 0.00 H new ATOM 932 N LYS A 61 -13.421 3.241 -6.300 1.00 0.00 N ATOM 933 CA LYS A 61 -13.236 4.280 -7.299 1.00 0.00 C ATOM 934 C LYS A 61 -14.066 5.506 -6.914 1.00 0.00 C ATOM 935 O LYS A 61 -13.527 6.600 -6.753 1.00 0.00 O ATOM 936 CB LYS A 61 -13.548 3.741 -8.697 1.00 0.00 C ATOM 937 CG LYS A 61 -13.203 4.773 -9.772 1.00 0.00 C ATOM 938 CD LYS A 61 -13.997 4.515 -11.055 1.00 0.00 C ATOM 939 CE LYS A 61 -13.540 5.447 -12.179 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.566 5.517 -13.243 1.00 0.00 N ATOM 0 H LYS A 61 -13.624 2.316 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.194 4.597 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.983 2.825 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.605 3.481 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.419 5.775 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.135 4.736 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.869 3.477 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.060 4.663 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.353 6.444 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.599 5.089 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.240 6.154 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.725 4.567 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.455 5.880 -12.844 1.00 0.00 H new ATOM 954 N GLN A 62 -15.365 5.282 -6.776 1.00 0.00 N ATOM 955 CA GLN A 62 -16.275 6.355 -6.412 1.00 0.00 C ATOM 956 C GLN A 62 -15.648 7.239 -5.331 1.00 0.00 C ATOM 957 O GLN A 62 -15.467 8.439 -5.533 1.00 0.00 O ATOM 958 CB GLN A 62 -17.623 5.798 -5.952 1.00 0.00 C ATOM 959 CG GLN A 62 -18.482 5.383 -7.148 1.00 0.00 C ATOM 960 CD GLN A 62 -19.894 4.998 -6.701 1.00 0.00 C ATOM 961 OE1 GLN A 62 -20.360 3.891 -6.914 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.547 5.972 -6.073 1.00 0.00 N ATOM 0 H GLN A 62 -15.809 4.373 -6.910 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.455 6.968 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.462 4.939 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.150 6.550 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.534 6.203 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.016 4.541 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.098 6.876 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.497 5.815 -5.737 1.00 0.00 H new ATOM 971 N LEU A 63 -15.335 6.611 -4.207 1.00 0.00 N ATOM 972 CA LEU A 63 -14.733 7.325 -3.094 1.00 0.00 C ATOM 973 C LEU A 63 -13.613 8.227 -3.618 1.00 0.00 C ATOM 974 O LEU A 63 -13.722 9.451 -3.566 1.00 0.00 O ATOM 975 CB LEU A 63 -14.277 6.345 -2.012 1.00 0.00 C ATOM 976 CG LEU A 63 -13.462 6.944 -0.864 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.258 8.026 -0.133 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.971 5.851 0.088 1.00 0.00 C ATOM 0 H LEU A 63 -15.487 5.616 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.468 7.973 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.159 5.863 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.682 5.564 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.579 7.424 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.656 8.435 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.516 8.822 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.171 7.593 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.394 6.303 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.827 5.321 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.341 5.149 -0.458 1.00 0.00 H new ATOM 990 N LEU A 64 -12.563 7.587 -4.111 1.00 0.00 N ATOM 991 CA LEU A 64 -11.425 8.316 -4.644 1.00 0.00 C ATOM 992 C LEU A 64 -11.925 9.519 -5.446 1.00 0.00 C ATOM 993 O LEU A 64 -11.381 10.616 -5.330 1.00 0.00 O ATOM 994 CB LEU A 64 -10.516 7.379 -5.443 1.00 0.00 C ATOM 995 CG LEU A 64 -9.634 6.437 -4.621 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.835 6.668 -3.121 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.875 4.978 -5.013 1.00 0.00 C ATOM 0 H LEU A 64 -12.476 6.572 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.809 8.707 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.139 6.777 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.871 7.986 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.591 6.662 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.197 5.986 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.574 7.697 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.878 6.486 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.236 4.330 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.919 4.721 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.642 4.842 -6.069 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.956 9.272 -6.241 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.535 10.322 -7.062 1.00 0.00 C ATOM 1011 C VAL A 65 -14.085 11.427 -6.157 1.00 0.00 C ATOM 1012 O VAL A 65 -13.615 12.563 -6.203 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.595 9.732 -7.995 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -14.968 10.725 -9.098 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.123 8.404 -8.590 1.00 0.00 C ATOM 0 H VAL A 65 -13.405 8.361 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.773 10.772 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.490 9.535 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.723 10.281 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.365 11.635 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.082 10.967 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.895 8.006 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.207 8.565 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.930 7.693 -7.786 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.071 11.054 -5.355 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.689 11.999 -4.440 1.00 0.00 C ATOM 1027 C ALA A 66 -14.605 12.659 -3.586 1.00 0.00 C ATOM 1028 O ALA A 66 -14.676 13.853 -3.301 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.740 11.278 -3.594 1.00 0.00 C ATOM 0 H ALA A 66 -15.457 10.111 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.200 12.788 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.203 11.987 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.503 10.853 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.264 10.480 -3.024 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.627 11.852 -3.201 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.529 12.343 -2.385 1.00 0.00 C ATOM 1037 C TRP A 67 -11.699 13.304 -3.238 1.00 0.00 C ATOM 1038 O TRP A 67 -11.149 14.277 -2.726 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.707 11.184 -1.818 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.357 11.606 -1.235 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.110 12.158 -0.039 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.069 11.486 -1.876 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.763 12.402 0.137 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.110 11.980 -1.016 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.726 10.978 -3.141 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.746 12.014 -1.327 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.359 11.019 -3.437 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.381 11.513 -2.582 1.00 0.00 C ATOM 0 H TRP A 67 -13.572 10.862 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.905 12.885 -1.517 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.287 10.686 -1.041 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.537 10.452 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.870 12.384 0.695 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.327 12.816 0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.460 10.587 -3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.014 12.406 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.042 10.640 -4.397 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.344 11.510 -2.885 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.634 12.996 -4.526 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.879 13.820 -5.455 1.00 0.00 C ATOM 1061 C GLN A 68 -11.654 15.099 -5.779 1.00 0.00 C ATOM 1062 O GLN A 68 -11.063 16.170 -5.909 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.544 13.043 -6.729 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.811 13.931 -7.736 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.431 13.141 -8.990 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.074 13.220 -10.024 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.353 12.376 -8.841 1.00 0.00 N ATOM 0 H GLN A 68 -12.092 12.188 -4.947 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.938 14.099 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.925 12.181 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.461 12.659 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.445 14.774 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.913 14.344 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.861 12.356 -7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.018 11.809 -9.620 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.964 14.945 -5.901 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.825 16.074 -6.208 1.00 0.00 C ATOM 1078 C ASP A 69 -14.078 16.879 -4.932 1.00 0.00 C ATOM 1079 O ASP A 69 -14.372 18.072 -4.994 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.178 15.604 -6.747 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.385 15.815 -8.248 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.461 16.996 -8.650 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -15.462 14.790 -8.960 1.00 0.00 O ATOM 0 H ASP A 69 -13.450 14.055 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.327 16.682 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.291 14.543 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.968 16.128 -6.209 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.955 16.194 -3.804 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.166 16.830 -2.516 1.00 0.00 C ATOM 1090 C GLN A 70 -12.998 17.762 -2.185 1.00 0.00 C ATOM 1091 O GLN A 70 -13.163 18.980 -2.148 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.364 15.787 -1.414 1.00 0.00 C ATOM 1093 CG GLN A 70 -14.004 16.362 -0.043 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.865 15.737 1.057 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -16.084 15.731 0.999 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.166 15.212 2.059 1.00 0.00 N ATOM 0 H GLN A 70 -13.712 15.205 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.076 17.427 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.400 15.450 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.745 14.914 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.950 16.179 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.144 17.443 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.147 15.251 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.649 14.770 2.841 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.844 17.153 -1.954 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.649 17.912 -1.628 1.00 0.00 C ATOM 1107 C GLU A 71 -10.272 18.833 -2.791 1.00 0.00 C ATOM 1108 O GLU A 71 -9.790 19.944 -2.576 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.490 16.982 -1.268 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.627 16.464 0.166 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.895 17.378 1.151 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.317 18.549 1.260 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.930 16.883 1.773 1.00 0.00 O ATOM 0 H GLU A 71 -11.711 16.142 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.861 18.529 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.465 16.141 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.545 17.514 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.681 16.403 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.222 15.454 0.232 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.507 18.337 -3.997 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.198 19.101 -5.193 1.00 0.00 C ATOM 1122 C GLY A 72 -8.795 18.772 -5.707 1.00 0.00 C ATOM 1123 O GLY A 72 -8.517 17.632 -6.076 1.00 0.00 O ATOM 0 H GLY A 72 -10.908 17.415 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.933 18.883 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.269 20.167 -4.976 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.948 19.791 -5.715 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.580 19.624 -6.178 1.00 0.00 C ATOM 1129 C VAL A 73 -5.707 19.152 -5.013 1.00 0.00 C ATOM 1130 O VAL A 73 -4.570 18.729 -5.217 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.080 20.923 -6.812 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.090 21.461 -7.828 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.767 21.971 -5.742 1.00 0.00 C ATOM 0 H VAL A 73 -8.182 20.735 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.529 18.860 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.155 20.702 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.710 22.385 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.242 20.723 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.039 21.658 -7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.413 22.885 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.669 22.187 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.995 21.589 -5.074 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.271 19.241 -3.818 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.558 18.829 -2.621 1.00 0.00 C ATOM 1145 C HIS A 74 -5.468 17.302 -2.577 1.00 0.00 C ATOM 1146 O HIS A 74 -4.583 16.747 -1.928 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.209 19.420 -1.370 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.310 20.927 -1.383 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.374 21.747 -0.778 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -7.245 21.752 -1.936 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.740 23.007 -0.963 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.900 23.008 -1.681 1.00 0.00 N ATOM 0 H HIS A 74 -7.214 19.593 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.540 19.218 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.209 19.000 -1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.636 19.112 -0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.118 21.437 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.213 23.880 -0.608 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.417 23.837 -1.974 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.396 16.666 -3.277 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.433 15.215 -3.326 1.00 0.00 C ATOM 1162 C ALA A 75 -5.168 14.700 -4.016 1.00 0.00 C ATOM 1163 O ALA A 75 -5.139 14.552 -5.237 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.710 14.760 -4.036 1.00 0.00 C ATOM 0 H ALA A 75 -7.128 17.130 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.453 14.798 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.738 13.671 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.580 15.127 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.723 15.158 -5.051 1.00 0.00 H new ATOM 1170 N THR A 76 -4.154 14.441 -3.204 1.00 0.00 N ATOM 1171 CA THR A 76 -2.889 13.945 -3.721 1.00 0.00 C ATOM 1172 C THR A 76 -2.643 12.512 -3.245 1.00 0.00 C ATOM 1173 O THR A 76 -3.281 12.050 -2.300 1.00 0.00 O ATOM 1174 CB THR A 76 -1.791 14.923 -3.299 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.069 15.187 -1.927 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.930 16.288 -3.976 1.00 0.00 C ATOM 0 H THR A 76 -4.182 14.565 -2.192 1.00 0.00 H new ATOM 0 HA THR A 76 -2.899 13.894 -4.810 1.00 0.00 H new ATOM 0 HB THR A 76 -0.816 14.497 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.746 15.892 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.126 16.944 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.872 16.165 -5.058 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.891 16.729 -3.712 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.692 11.832 -3.939 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.353 10.461 -3.597 1.00 0.00 C ATOM 1186 C PRO A 77 -0.511 10.406 -2.321 1.00 0.00 C ATOM 1187 O PRO A 77 -0.475 9.382 -1.640 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.622 9.921 -4.815 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.170 11.139 -5.604 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.916 12.348 -5.063 1.00 0.00 C ATOM 0 HA PRO A 77 -2.230 9.854 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.230 9.309 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.276 9.288 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.906 11.279 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.379 11.005 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.226 13.128 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.563 12.787 -5.823 1.00 0.00 H new ATOM 1198 N GLU A 78 0.146 11.521 -2.035 1.00 0.00 N ATOM 1199 CA GLU A 78 0.985 11.612 -0.852 1.00 0.00 C ATOM 1200 C GLU A 78 0.121 11.717 0.406 1.00 0.00 C ATOM 1201 O GLU A 78 0.430 11.108 1.428 1.00 0.00 O ATOM 1202 CB GLU A 78 1.950 12.796 -0.955 1.00 0.00 C ATOM 1203 CG GLU A 78 3.257 12.503 -0.216 1.00 0.00 C ATOM 1204 CD GLU A 78 3.626 13.655 0.721 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.870 14.761 0.193 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.656 13.402 1.945 1.00 0.00 O ATOM 0 H GLU A 78 0.114 12.368 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 78 1.582 10.703 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.160 13.008 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.483 13.688 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.156 11.581 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.059 12.344 -0.937 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.946 12.495 0.289 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.858 12.687 1.404 1.00 0.00 C ATOM 1215 C ASN A 79 -2.673 11.410 1.617 1.00 0.00 C ATOM 1216 O ASN A 79 -2.827 10.949 2.747 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.835 13.831 1.125 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.141 15.189 1.255 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.110 15.329 1.891 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.763 16.177 0.618 1.00 0.00 N ATOM 0 H ASN A 79 -1.199 12.999 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.265 12.926 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.248 13.724 0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.671 13.778 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.379 17.122 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.624 15.990 0.104 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.174 10.875 0.513 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.969 9.660 0.565 1.00 0.00 C ATOM 1229 C LEU A 80 -3.167 8.559 1.261 1.00 0.00 C ATOM 1230 O LEU A 80 -3.688 7.859 2.128 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.453 9.276 -0.835 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.609 8.276 -0.894 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.883 8.873 -0.293 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.829 7.776 -2.323 1.00 0.00 C ATOM 0 H LEU A 80 -3.045 11.261 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.870 9.820 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.758 10.185 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.611 8.860 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.343 7.411 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.689 8.141 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.704 9.138 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.165 9.766 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.656 7.066 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.064 8.620 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.924 7.285 -2.680 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.911 8.440 0.856 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.031 7.436 1.430 1.00 0.00 C ATOM 1248 C ILE A 81 -0.899 7.680 2.934 1.00 0.00 C ATOM 1249 O ILE A 81 -0.948 6.740 3.726 1.00 0.00 O ATOM 1250 CB ILE A 81 0.308 7.412 0.691 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.156 6.794 -0.700 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.379 6.700 1.520 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.415 7.017 -1.540 1.00 0.00 C ATOM 0 H ILE A 81 -1.482 9.022 0.137 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.456 6.440 1.304 1.00 0.00 H new ATOM 0 HB ILE A 81 0.639 8.441 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.039 5.726 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.705 7.233 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.321 6.697 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.512 7.222 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.068 5.673 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.280 6.568 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.594 8.087 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.269 6.556 -1.045 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.735 8.947 3.284 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.595 9.327 4.679 1.00 0.00 C ATOM 1267 C ASN A 82 -1.785 8.783 5.473 1.00 0.00 C ATOM 1268 O ASN A 82 -1.618 8.281 6.584 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.578 10.849 4.837 1.00 0.00 C ATOM 1270 CG ASN A 82 0.787 11.334 5.330 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.823 11.039 4.757 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.730 12.091 6.421 1.00 0.00 N ATOM 0 H ASN A 82 -0.696 9.724 2.625 1.00 0.00 H new ATOM 0 HA ASN A 82 0.345 8.916 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.812 11.320 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.352 11.154 5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.588 12.463 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.171 12.299 6.851 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.960 8.899 4.871 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.177 8.425 5.508 1.00 0.00 C ATOM 1281 C ALA A 83 -4.132 6.899 5.610 1.00 0.00 C ATOM 1282 O ALA A 83 -4.422 6.336 6.665 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.391 8.921 4.720 1.00 0.00 C ATOM 0 H ALA A 83 -3.095 9.314 3.949 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.261 8.821 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.304 8.566 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.392 10.011 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.343 8.540 3.700 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.767 6.274 4.501 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.680 4.824 4.453 1.00 0.00 C ATOM 1291 C LEU A 84 -2.846 4.328 5.636 1.00 0.00 C ATOM 1292 O LEU A 84 -3.232 3.380 6.318 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.153 4.363 3.093 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.012 4.731 1.881 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.153 4.871 0.623 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.149 3.725 1.690 1.00 0.00 C ATOM 0 H LEU A 84 -3.528 6.745 3.628 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.670 4.380 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.158 4.784 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.040 3.279 3.118 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.469 5.702 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.788 5.133 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.410 5.654 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.649 3.926 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.744 4.009 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.732 2.730 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.782 3.718 2.578 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.718 4.991 5.843 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.826 4.629 6.932 1.00 0.00 C ATOM 1310 C ASN A 85 -1.628 4.532 8.231 1.00 0.00 C ATOM 1311 O ASN A 85 -1.717 3.462 8.832 1.00 0.00 O ATOM 1312 CB ASN A 85 0.263 5.686 7.127 1.00 0.00 C ATOM 1313 CG ASN A 85 1.649 5.104 6.842 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.251 4.437 7.666 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.119 5.394 5.632 1.00 0.00 N ATOM 0 H ASN A 85 -1.401 5.777 5.275 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.362 3.674 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.077 6.532 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.227 6.066 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.036 5.052 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.562 5.958 4.990 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.192 5.663 8.628 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.983 5.719 9.845 1.00 0.00 C ATOM 1324 C LYS A 86 -4.131 4.711 9.749 1.00 0.00 C ATOM 1325 O LYS A 86 -4.410 3.990 10.705 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.445 7.152 10.119 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.250 7.703 8.941 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.885 9.050 9.293 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.813 10.107 9.565 1.00 0.00 C ATOM 1330 NZ LYS A 86 -4.426 11.337 10.117 1.00 0.00 N ATOM 0 H LYS A 86 -2.117 6.549 8.128 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.378 5.434 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.054 7.175 11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.579 7.788 10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.600 7.819 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.028 6.992 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.526 9.379 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.521 8.938 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.076 9.714 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.282 10.341 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.685 12.044 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.112 11.719 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.913 11.112 11.008 1.00 0.00 H new ATOM 1344 N SER A 87 -4.765 4.694 8.585 1.00 0.00 N ATOM 1345 CA SER A 87 -5.875 3.787 8.352 1.00 0.00 C ATOM 1346 C SER A 87 -5.404 2.338 8.485 1.00 0.00 C ATOM 1347 O SER A 87 -6.220 1.421 8.572 1.00 0.00 O ATOM 1348 CB SER A 87 -6.495 4.019 6.973 1.00 0.00 C ATOM 1349 OG SER A 87 -6.343 2.886 6.122 1.00 0.00 O ATOM 0 H SER A 87 -4.531 5.294 7.794 1.00 0.00 H new ATOM 0 HA SER A 87 -6.640 3.983 9.103 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.555 4.248 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.029 4.887 6.507 1.00 0.00 H new ATOM 0 HG SER A 87 -5.390 2.701 5.990 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.089 2.175 8.497 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.499 0.853 8.619 1.00 0.00 C ATOM 1357 C GLY A 88 -3.511 0.122 7.274 1.00 0.00 C ATOM 1358 O GLY A 88 -3.479 -1.107 7.232 1.00 0.00 O ATOM 0 H GLY A 88 -3.415 2.937 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.474 0.940 8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.050 0.272 9.358 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.558 0.909 6.210 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.575 0.352 4.868 1.00 0.00 C ATOM 1364 C LEU A 89 -2.156 0.368 4.296 1.00 0.00 C ATOM 1365 O LEU A 89 -1.965 0.615 3.106 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.597 1.084 3.996 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.030 0.550 4.052 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.297 -0.168 5.376 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.042 1.668 3.792 1.00 0.00 C ATOM 0 H LEU A 89 -3.585 1.928 6.249 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.898 -0.689 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.610 2.134 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.256 1.046 2.961 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.151 -0.186 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.322 -0.537 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.608 -1.006 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.151 0.527 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.052 1.262 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.929 2.445 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.867 2.095 2.805 1.00 0.00 H new ATOM 1381 N SER A 90 -1.197 0.101 5.170 1.00 0.00 N ATOM 1382 CA SER A 90 0.199 0.082 4.767 1.00 0.00 C ATOM 1383 C SER A 90 0.332 -0.529 3.370 1.00 0.00 C ATOM 1384 O SER A 90 1.113 -0.048 2.550 1.00 0.00 O ATOM 1385 CB SER A 90 1.052 -0.697 5.770 1.00 0.00 C ATOM 1386 OG SER A 90 0.530 -2.000 6.016 1.00 0.00 O ATOM 0 H SER A 90 -1.359 -0.104 6.156 1.00 0.00 H new ATOM 0 HA SER A 90 0.562 1.110 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.071 -0.780 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.104 -0.144 6.708 1.00 0.00 H new ATOM 0 HG SER A 90 1.103 -2.466 6.660 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.442 -1.579 3.143 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.421 -2.261 1.859 1.00 0.00 C ATOM 1394 C ASP A 91 -0.570 -1.231 0.738 1.00 0.00 C ATOM 1395 O ASP A 91 0.306 -1.107 -0.117 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.577 -3.256 1.745 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.179 -4.659 1.280 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.028 -4.849 1.019 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.091 -5.509 1.197 1.00 0.00 O ATOM 0 H ASP A 91 -1.088 -1.975 3.826 1.00 0.00 H new ATOM 0 HA ASP A 91 0.525 -2.797 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.065 -3.336 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.315 -2.855 1.050 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.687 -0.519 0.776 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.963 0.495 -0.227 1.00 0.00 C ATOM 1406 C LEU A 92 -0.785 1.470 -0.297 1.00 0.00 C ATOM 1407 O LEU A 92 -0.126 1.578 -1.330 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.306 1.173 0.052 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.504 0.636 -0.734 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.795 1.510 -1.955 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.296 -0.831 -1.115 1.00 0.00 C ATOM 0 H LEU A 92 -2.412 -0.625 1.486 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.060 0.040 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.523 1.080 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.204 2.237 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.383 0.680 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.651 1.106 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.018 2.526 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.924 1.521 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.162 -1.188 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.403 -0.923 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.175 -1.428 -0.211 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.557 2.154 0.814 1.00 0.00 N ATOM 1424 CA ALA A 93 0.530 3.115 0.892 1.00 0.00 C ATOM 1425 C ALA A 93 1.729 2.588 0.101 1.00 0.00 C ATOM 1426 O ALA A 93 2.149 3.202 -0.879 1.00 0.00 O ATOM 1427 CB ALA A 93 0.871 3.383 2.359 1.00 0.00 C ATOM 0 H ALA A 93 -1.107 2.062 1.668 1.00 0.00 H new ATOM 0 HA ALA A 93 0.234 4.065 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.686 4.104 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.005 3.784 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.175 2.452 2.838 1.00 0.00 H new ATOM 1433 N GLU A 94 2.246 1.456 0.555 1.00 0.00 N ATOM 1434 CA GLU A 94 3.388 0.839 -0.097 1.00 0.00 C ATOM 1435 C GLU A 94 3.105 0.644 -1.589 1.00 0.00 C ATOM 1436 O GLU A 94 3.899 1.056 -2.433 1.00 0.00 O ATOM 1437 CB GLU A 94 3.750 -0.489 0.570 1.00 0.00 C ATOM 1438 CG GLU A 94 4.278 -0.263 1.989 1.00 0.00 C ATOM 1439 CD GLU A 94 5.774 0.055 1.973 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.174 0.858 1.102 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.484 -0.511 2.832 1.00 0.00 O ATOM 0 H GLU A 94 1.894 0.950 1.368 1.00 0.00 H new ATOM 0 HA GLU A 94 4.245 1.505 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.873 -1.135 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.504 -1.005 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.733 0.557 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.098 -1.152 2.594 1.00 0.00 H new ATOM 1448 N SER A 95 1.973 0.015 -1.866 1.00 0.00 N ATOM 1449 CA SER A 95 1.576 -0.239 -3.241 1.00 0.00 C ATOM 1450 C SER A 95 1.855 0.994 -4.103 1.00 0.00 C ATOM 1451 O SER A 95 2.665 0.939 -5.027 1.00 0.00 O ATOM 1452 CB SER A 95 0.097 -0.623 -3.325 1.00 0.00 C ATOM 1453 OG SER A 95 -0.214 -1.736 -2.493 1.00 0.00 O ATOM 0 H SER A 95 1.318 -0.326 -1.163 1.00 0.00 H new ATOM 0 HA SER A 95 2.163 -1.077 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.516 0.230 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.158 -0.860 -4.358 1.00 0.00 H new ATOM 0 HG SER A 95 -0.031 -1.507 -1.558 1.00 0.00 H new ATOM 1459 N LEU A 96 1.167 2.076 -3.770 1.00 0.00 N ATOM 1460 CA LEU A 96 1.331 3.321 -4.503 1.00 0.00 C ATOM 1461 C LEU A 96 2.817 3.680 -4.563 1.00 0.00 C ATOM 1462 O LEU A 96 3.432 3.616 -5.627 1.00 0.00 O ATOM 1463 CB LEU A 96 0.457 4.419 -3.895 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.047 4.299 -4.152 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.384 4.643 -5.604 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.562 2.913 -3.757 1.00 0.00 C ATOM 0 H LEU A 96 0.495 2.117 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 96 0.989 3.206 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.621 4.432 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.796 5.381 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.560 5.025 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.459 4.550 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.074 5.666 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.860 3.959 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.633 2.854 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.046 2.152 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.374 2.744 -2.697 1.00 0.00 H new ATOM 1478 N THR A 97 3.351 4.051 -3.409 1.00 0.00 N ATOM 1479 CA THR A 97 4.753 4.421 -3.317 1.00 0.00 C ATOM 1480 C THR A 97 5.603 3.516 -4.211 1.00 0.00 C ATOM 1481 O THR A 97 6.003 3.916 -5.304 1.00 0.00 O ATOM 1482 CB THR A 97 5.159 4.373 -1.843 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.711 3.094 -1.401 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.367 5.362 -0.985 1.00 0.00 C ATOM 0 H THR A 97 2.838 4.103 -2.529 1.00 0.00 H new ATOM 0 HA THR A 97 4.919 5.435 -3.682 1.00 0.00 H new ATOM 0 HB THR A 97 6.224 4.586 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.837 3.185 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.694 5.287 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.538 6.376 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.304 5.128 -1.048 1.00 0.00 H new ATOM 1492 N ASN A 98 5.853 2.314 -3.714 1.00 0.00 N ATOM 1493 CA ASN A 98 6.648 1.349 -4.455 1.00 0.00 C ATOM 1494 C ASN A 98 7.995 1.977 -4.819 1.00 0.00 C ATOM 1495 O ASN A 98 8.183 3.183 -4.668 1.00 0.00 O ATOM 1496 CB ASN A 98 5.950 0.940 -5.753 1.00 0.00 C ATOM 1497 CG ASN A 98 5.484 -0.515 -5.690 1.00 0.00 C ATOM 1498 OD1 ASN A 98 4.358 -0.848 -6.023 1.00 0.00 O ATOM 1499 ND2 ASN A 98 6.409 -1.361 -5.246 1.00 0.00 N ATOM 0 H ASN A 98 5.519 1.986 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 98 6.782 0.469 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.095 1.592 -5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.632 1.071 -6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.195 -2.355 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.332 -1.016 -4.984 1.00 0.00 H new ATOM 1506 N ASP A 99 8.898 1.131 -5.293 1.00 0.00 N ATOM 1507 CA ASP A 99 10.221 1.588 -5.681 1.00 0.00 C ATOM 1508 C ASP A 99 10.612 0.938 -7.009 1.00 0.00 C ATOM 1509 O ASP A 99 11.347 -0.049 -7.030 1.00 0.00 O ATOM 1510 CB ASP A 99 11.268 1.194 -4.636 1.00 0.00 C ATOM 1511 CG ASP A 99 12.532 2.056 -4.631 1.00 0.00 C ATOM 1512 OD1 ASP A 99 13.224 2.054 -5.672 1.00 0.00 O ATOM 1513 OD2 ASP A 99 12.778 2.696 -3.586 1.00 0.00 O ATOM 0 H ASP A 99 8.739 0.131 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 99 10.190 2.674 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.810 1.242 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.555 0.156 -4.804 1.00 0.00 H new ATOM 1518 N ASN A 100 10.103 1.517 -8.087 1.00 0.00 N ATOM 1519 CA ASN A 100 10.389 1.006 -9.417 1.00 0.00 C ATOM 1520 C ASN A 100 10.158 2.115 -10.445 1.00 0.00 C ATOM 1521 O ASN A 100 9.608 3.165 -10.117 1.00 0.00 O ATOM 1522 CB ASN A 100 9.468 -0.164 -9.768 1.00 0.00 C ATOM 1523 CG ASN A 100 9.484 -1.224 -8.665 1.00 0.00 C ATOM 1524 OD1 ASN A 100 8.770 -1.142 -7.678 1.00 0.00 O ATOM 1525 ND2 ASN A 100 10.335 -2.222 -8.885 1.00 0.00 N ATOM 0 H ASN A 100 9.494 2.335 -8.066 1.00 0.00 H new ATOM 0 HA ASN A 100 11.425 0.666 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.451 0.200 -9.913 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.784 -0.610 -10.711 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.419 -2.979 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.904 -2.230 -9.732 1.00 0.00 H new ATOM 1532 N GLU A 101 10.588 1.843 -11.668 1.00 0.00 N ATOM 1533 CA GLU A 101 10.434 2.804 -12.747 1.00 0.00 C ATOM 1534 C GLU A 101 9.545 2.227 -13.850 1.00 0.00 C ATOM 1535 O GLU A 101 9.931 1.278 -14.530 1.00 0.00 O ATOM 1536 CB GLU A 101 11.796 3.226 -13.304 1.00 0.00 C ATOM 1537 CG GLU A 101 12.803 2.078 -13.216 1.00 0.00 C ATOM 1538 CD GLU A 101 14.159 2.492 -13.792 1.00 0.00 C ATOM 1539 OE1 GLU A 101 14.802 3.359 -13.161 1.00 0.00 O ATOM 1540 OE2 GLU A 101 14.521 1.933 -14.850 1.00 0.00 O ATOM 0 H GLU A 101 11.043 0.970 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 101 9.950 3.695 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.687 3.540 -14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.170 4.086 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.923 1.774 -12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.422 1.213 -13.759 1.00 0.00 H new ATOM 1547 N THR A 102 8.372 2.825 -13.993 1.00 0.00 N ATOM 1548 CA THR A 102 7.424 2.382 -15.002 1.00 0.00 C ATOM 1549 C THR A 102 6.480 3.523 -15.385 1.00 0.00 C ATOM 1550 O THR A 102 6.307 4.473 -14.622 1.00 0.00 O ATOM 1551 CB THR A 102 6.699 1.148 -14.461 1.00 0.00 C ATOM 1552 OG1 THR A 102 7.586 0.071 -14.749 1.00 0.00 O ATOM 1553 CG2 THR A 102 5.436 0.815 -15.258 1.00 0.00 C ATOM 0 H THR A 102 8.056 3.613 -13.427 1.00 0.00 H new ATOM 0 HA THR A 102 7.932 2.100 -15.924 1.00 0.00 H new ATOM 0 HB THR A 102 6.436 1.310 -13.416 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.438 0.428 -15.078 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.960 -0.068 -14.833 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.745 1.657 -15.213 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.702 0.619 -16.297 1.00 0.00 H new ATOM 1561 N ASN A 103 5.894 3.393 -16.566 1.00 0.00 N ATOM 1562 CA ASN A 103 4.971 4.402 -17.058 1.00 0.00 C ATOM 1563 C ASN A 103 4.383 3.940 -18.393 1.00 0.00 C ATOM 1564 O ASN A 103 4.897 4.287 -19.455 1.00 0.00 O ATOM 1565 CB ASN A 103 5.686 5.734 -17.293 1.00 0.00 C ATOM 1566 CG ASN A 103 4.721 6.783 -17.850 1.00 0.00 C ATOM 1567 OD1 ASN A 103 3.623 6.979 -17.355 1.00 0.00 O ATOM 1568 ND2 ASN A 103 5.191 7.444 -18.905 1.00 0.00 N ATOM 0 H ASN A 103 6.040 2.605 -17.197 1.00 0.00 H new ATOM 0 HA ASN A 103 4.190 4.539 -16.310 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.116 6.090 -16.357 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.513 5.589 -17.988 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.623 8.165 -19.350 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.120 7.230 -19.269 1.00 0.00 H new ATOM 1575 N SER A 104 3.313 3.165 -18.295 1.00 0.00 N ATOM 1576 CA SER A 104 2.649 2.652 -19.481 1.00 0.00 C ATOM 1577 C SER A 104 3.453 1.492 -20.071 1.00 0.00 C ATOM 1578 O SER A 104 2.930 0.392 -20.240 1.00 0.00 O ATOM 1579 CB SER A 104 2.461 3.753 -20.527 1.00 0.00 C ATOM 1580 OG SER A 104 1.097 3.893 -20.915 1.00 0.00 O ATOM 0 H SER A 104 2.889 2.880 -17.412 1.00 0.00 H new ATOM 0 HA SER A 104 1.662 2.291 -19.191 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.823 4.700 -20.126 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.066 3.526 -21.405 1.00 0.00 H new ATOM 0 HG SER A 104 1.018 4.606 -21.582 1.00 0.00 H new ATOM 1586 N SER A 105 4.712 1.777 -20.367 1.00 0.00 N ATOM 1587 CA SER A 105 5.594 0.771 -20.935 1.00 0.00 C ATOM 1588 C SER A 105 7.037 1.033 -20.497 1.00 0.00 C ATOM 1589 O SER A 105 7.676 0.166 -19.902 1.00 0.00 O ATOM 1590 CB SER A 105 5.498 0.752 -22.462 1.00 0.00 C ATOM 1591 OG SER A 105 6.349 -0.235 -23.038 1.00 0.00 O ATOM 0 H SER A 105 5.143 2.690 -20.224 1.00 0.00 H new ATOM 0 HA SER A 105 5.280 -0.206 -20.567 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.467 0.559 -22.758 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.764 1.734 -22.854 1.00 0.00 H new ATOM 0 HG SER A 105 6.258 -0.217 -24.014 1.00 0.00 H new ATOM 1597 N GLY A 106 7.508 2.232 -20.808 1.00 0.00 N ATOM 1598 CA GLY A 106 8.863 2.619 -20.454 1.00 0.00 C ATOM 1599 C GLY A 106 9.678 2.964 -21.701 1.00 0.00 C ATOM 1600 O GLY A 106 9.602 2.265 -22.711 1.00 0.00 O ATOM 0 H GLY A 106 6.975 2.948 -21.301 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.836 3.478 -19.784 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.347 1.807 -19.912 1.00 0.00 H new ATOM 1604 N PRO A 107 10.460 4.071 -21.589 1.00 0.00 N ATOM 1605 CA PRO A 107 11.288 4.518 -22.696 1.00 0.00 C ATOM 1606 C PRO A 107 12.519 3.623 -22.855 1.00 0.00 C ATOM 1607 O PRO A 107 13.387 3.594 -21.985 1.00 0.00 O ATOM 1608 CB PRO A 107 11.641 5.959 -22.366 1.00 0.00 C ATOM 1609 CG PRO A 107 11.389 6.120 -20.876 1.00 0.00 C ATOM 1610 CD PRO A 107 10.575 4.924 -20.409 1.00 0.00 C ATOM 0 HA PRO A 107 10.776 4.457 -23.656 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.681 6.172 -22.611 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.029 6.653 -22.943 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.333 6.175 -20.333 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.852 7.048 -20.678 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.071 4.403 -19.590 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.594 5.230 -20.044 1.00 0.00 H new ATOM 1618 N SER A 108 12.554 2.914 -23.974 1.00 0.00 N ATOM 1619 CA SER A 108 13.664 2.020 -24.259 1.00 0.00 C ATOM 1620 C SER A 108 14.990 2.767 -24.103 1.00 0.00 C ATOM 1621 O SER A 108 15.390 3.521 -24.989 1.00 0.00 O ATOM 1622 CB SER A 108 13.549 1.431 -25.667 1.00 0.00 C ATOM 1623 OG SER A 108 12.334 0.707 -25.845 1.00 0.00 O ATOM 0 H SER A 108 11.832 2.940 -24.694 1.00 0.00 H new ATOM 0 HA SER A 108 13.632 1.196 -23.546 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.603 2.234 -26.402 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.396 0.770 -25.854 1.00 0.00 H new ATOM 0 HG SER A 108 12.297 0.348 -26.756 1.00 0.00 H new ATOM 1629 N SER A 109 15.636 2.530 -22.971 1.00 0.00 N ATOM 1630 CA SER A 109 16.909 3.170 -22.687 1.00 0.00 C ATOM 1631 C SER A 109 17.828 3.069 -23.906 1.00 0.00 C ATOM 1632 O SER A 109 18.163 1.971 -24.346 1.00 0.00 O ATOM 1633 CB SER A 109 17.580 2.544 -21.463 1.00 0.00 C ATOM 1634 OG SER A 109 18.566 3.403 -20.897 1.00 0.00 O ATOM 0 H SER A 109 15.301 1.903 -22.239 1.00 0.00 H new ATOM 0 HA SER A 109 16.722 4.221 -22.466 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.824 2.316 -20.712 1.00 0.00 H new ATOM 0 HB3 SER A 109 18.043 1.599 -21.747 1.00 0.00 H new ATOM 0 HG SER A 109 18.970 2.968 -20.117 1.00 0.00 H new ATOM 1640 N GLY A 110 18.210 4.231 -24.417 1.00 0.00 N ATOM 1641 CA GLY A 110 19.085 4.287 -25.576 1.00 0.00 C ATOM 1642 C GLY A 110 20.039 5.479 -25.485 1.00 0.00 C ATOM 1643 O GLY A 110 21.237 5.340 -25.729 1.00 0.00 O ATOM 0 H GLY A 110 17.930 5.140 -24.050 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.658 3.363 -25.649 1.00 0.00 H new ATOM 0 HA3 GLY A 110 18.487 4.364 -26.484 1.00 0.00 H new TER 1647 GLY A 110