USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 716 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 55 ASN : amide:sc= -1.45! X(o=-1.4!,f=-1.4) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -131:sc= 0.212 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= 1.16 USER MOD Set 2.3: A 88 SER OG : rot -72:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.512! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 23:sc= 0.0589 USER MOD Single : A 24 THR OG1 : rot 50:sc= -0.194 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -101:sc= 1.04 USER MOD Single : A 32 SER OG : rot 139:sc= -0.748 USER MOD Single : A 35 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= -3.78! (180deg=-9.71!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 57 ASN : amide:sc= -0.957! C(o=-0.96!,f=-0.91!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.091 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 84 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 85 SER OG : rot -86:sc= -0.723! USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 176:sc= 1.07 USER MOD Single : A 90 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.684) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 44:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.271 6.073 19.229 1.00 0.00 N ATOM 2 CA GLY A 1 28.272 6.548 18.292 1.00 0.00 C ATOM 3 C GLY A 1 27.671 7.371 17.170 1.00 0.00 C ATOM 4 O GLY A 1 28.121 8.484 16.897 1.00 0.00 O ATOM 0 H1 GLY A 1 27.732 5.516 19.977 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.781 6.885 19.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.582 5.477 18.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.008 7.149 18.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.803 5.695 17.869 1.00 0.00 H new ATOM 8 N SER A 2 26.651 6.823 16.516 1.00 0.00 N ATOM 9 CA SER A 2 25.991 7.511 15.413 1.00 0.00 C ATOM 10 C SER A 2 24.608 8.003 15.830 1.00 0.00 C ATOM 11 O SER A 2 23.941 7.385 16.660 1.00 0.00 O ATOM 12 CB SER A 2 25.872 6.583 14.203 1.00 0.00 C ATOM 13 OG SER A 2 24.909 5.569 14.431 1.00 0.00 O ATOM 0 H SER A 2 26.264 5.904 16.731 1.00 0.00 H new ATOM 0 HA SER A 2 26.598 8.374 15.140 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.593 7.162 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.840 6.129 13.992 1.00 0.00 H new ATOM 0 HG SER A 2 24.850 4.990 13.642 1.00 0.00 H new ATOM 19 N SER A 3 24.183 9.119 15.247 1.00 0.00 N ATOM 20 CA SER A 3 22.881 9.697 15.559 1.00 0.00 C ATOM 21 C SER A 3 22.327 10.467 14.364 1.00 0.00 C ATOM 22 O SER A 3 22.965 11.387 13.854 1.00 0.00 O ATOM 23 CB SER A 3 22.989 10.624 16.772 1.00 0.00 C ATOM 24 OG SER A 3 23.621 11.844 16.426 1.00 0.00 O ATOM 0 H SER A 3 24.721 9.641 14.556 1.00 0.00 H new ATOM 0 HA SER A 3 22.196 8.882 15.793 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.994 10.826 17.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.554 10.130 17.563 1.00 0.00 H new ATOM 0 HG SER A 3 23.552 11.985 15.459 1.00 0.00 H new ATOM 30 N GLY A 4 21.134 10.082 13.922 1.00 0.00 N ATOM 31 CA GLY A 4 20.513 10.745 12.790 1.00 0.00 C ATOM 32 C GLY A 4 19.378 9.936 12.195 1.00 0.00 C ATOM 33 O GLY A 4 18.985 8.907 12.746 1.00 0.00 O ATOM 0 H GLY A 4 20.586 9.323 14.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.135 11.718 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.265 10.928 12.023 1.00 0.00 H new ATOM 37 N SER A 5 18.847 10.402 11.069 1.00 0.00 N ATOM 38 CA SER A 5 17.746 9.717 10.402 1.00 0.00 C ATOM 39 C SER A 5 18.181 8.340 9.910 1.00 0.00 C ATOM 40 O SER A 5 19.321 8.152 9.484 1.00 0.00 O ATOM 41 CB SER A 5 17.234 10.553 9.228 1.00 0.00 C ATOM 42 OG SER A 5 16.267 11.496 9.656 1.00 0.00 O ATOM 0 H SER A 5 19.162 11.251 10.600 1.00 0.00 H new ATOM 0 HA SER A 5 16.940 9.587 11.125 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.068 11.072 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.798 9.898 8.474 1.00 0.00 H new ATOM 0 HG SER A 5 15.957 12.019 8.887 1.00 0.00 H new ATOM 48 N SER A 6 17.264 7.380 9.970 1.00 0.00 N ATOM 49 CA SER A 6 17.552 6.019 9.535 1.00 0.00 C ATOM 50 C SER A 6 17.083 5.797 8.100 1.00 0.00 C ATOM 51 O SER A 6 17.771 5.162 7.301 1.00 0.00 O ATOM 52 CB SER A 6 16.878 5.009 10.465 1.00 0.00 C ATOM 53 OG SER A 6 17.196 5.274 11.821 1.00 0.00 O ATOM 0 H SER A 6 16.315 7.520 10.316 1.00 0.00 H new ATOM 0 HA SER A 6 18.631 5.873 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.797 5.048 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.197 4.000 10.204 1.00 0.00 H new ATOM 0 HG SER A 6 16.752 4.616 12.396 1.00 0.00 H new ATOM 59 N GLY A 7 15.906 6.326 7.780 1.00 0.00 N ATOM 60 CA GLY A 7 15.364 6.175 6.442 1.00 0.00 C ATOM 61 C GLY A 7 14.870 4.768 6.172 1.00 0.00 C ATOM 62 O GLY A 7 15.664 3.866 5.903 1.00 0.00 O ATOM 0 H GLY A 7 15.318 6.856 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.542 6.878 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.130 6.434 5.712 1.00 0.00 H new ATOM 66 N GLN A 8 13.556 4.579 6.246 1.00 0.00 N ATOM 67 CA GLN A 8 12.959 3.270 6.009 1.00 0.00 C ATOM 68 C GLN A 8 11.876 3.351 4.938 1.00 0.00 C ATOM 69 O GLN A 8 11.657 4.405 4.342 1.00 0.00 O ATOM 70 CB GLN A 8 12.370 2.712 7.306 1.00 0.00 C ATOM 71 CG GLN A 8 13.369 2.651 8.450 1.00 0.00 C ATOM 72 CD GLN A 8 12.745 2.165 9.744 1.00 0.00 C ATOM 73 OE1 GLN A 8 11.523 2.158 9.893 1.00 0.00 O ATOM 74 NE2 GLN A 8 13.584 1.754 10.688 1.00 0.00 N ATOM 0 H GLN A 8 12.886 5.315 6.468 1.00 0.00 H new ATOM 0 HA GLN A 8 13.743 2.600 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.523 3.330 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.983 1.710 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.190 1.989 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.797 3.641 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.590 1.777 10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.222 1.415 11.579 1.00 0.00 H new ATOM 83 N ALA A 9 11.201 2.232 4.700 1.00 0.00 N ATOM 84 CA ALA A 9 10.139 2.177 3.703 1.00 0.00 C ATOM 85 C ALA A 9 9.156 3.329 3.884 1.00 0.00 C ATOM 86 O ALA A 9 8.930 3.795 5.001 1.00 0.00 O ATOM 87 CB ALA A 9 9.412 0.843 3.779 1.00 0.00 C ATOM 0 H ALA A 9 11.371 1.350 5.184 1.00 0.00 H new ATOM 0 HA ALA A 9 10.594 2.274 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.622 0.816 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.117 0.033 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.975 0.723 4.770 1.00 0.00 H new ATOM 93 N ASP A 10 8.575 3.783 2.780 1.00 0.00 N ATOM 94 CA ASP A 10 7.615 4.881 2.817 1.00 0.00 C ATOM 95 C ASP A 10 6.315 4.490 2.120 1.00 0.00 C ATOM 96 O ASP A 10 6.002 4.993 1.042 1.00 0.00 O ATOM 97 CB ASP A 10 8.207 6.127 2.157 1.00 0.00 C ATOM 98 CG ASP A 10 8.948 7.008 3.144 1.00 0.00 C ATOM 99 OD1 ASP A 10 9.938 6.532 3.739 1.00 0.00 O ATOM 100 OD2 ASP A 10 8.538 8.174 3.322 1.00 0.00 O ATOM 0 H ASP A 10 8.751 3.408 1.848 1.00 0.00 H new ATOM 0 HA ASP A 10 7.394 5.103 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.888 5.824 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.407 6.702 1.690 1.00 0.00 H new ATOM 105 N ALA A 11 5.563 3.590 2.744 1.00 0.00 N ATOM 106 CA ALA A 11 4.297 3.132 2.185 1.00 0.00 C ATOM 107 C ALA A 11 3.559 4.273 1.492 1.00 0.00 C ATOM 108 O ALA A 11 2.877 4.065 0.490 1.00 0.00 O ATOM 109 CB ALA A 11 3.428 2.523 3.275 1.00 0.00 C ATOM 0 H ALA A 11 5.808 3.163 3.637 1.00 0.00 H new ATOM 0 HA ALA A 11 4.513 2.367 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.486 2.185 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.947 1.675 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.228 3.272 4.042 1.00 0.00 H new ATOM 115 N GLY A 12 3.699 5.478 2.035 1.00 0.00 N ATOM 116 CA GLY A 12 3.039 6.634 1.456 1.00 0.00 C ATOM 117 C GLY A 12 2.079 7.298 2.424 1.00 0.00 C ATOM 118 O GLY A 12 1.797 6.781 3.505 1.00 0.00 O ATOM 0 H GLY A 12 4.258 5.675 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.791 7.358 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.495 6.328 0.562 1.00 0.00 H new ATOM 122 N PRO A 13 1.561 8.473 2.036 1.00 0.00 N ATOM 123 CA PRO A 13 0.620 9.234 2.863 1.00 0.00 C ATOM 124 C PRO A 13 -0.742 8.556 2.966 1.00 0.00 C ATOM 125 O PRO A 13 -1.042 7.627 2.215 1.00 0.00 O ATOM 126 CB PRO A 13 0.498 10.569 2.124 1.00 0.00 C ATOM 127 CG PRO A 13 0.830 10.249 0.707 1.00 0.00 C ATOM 128 CD PRO A 13 1.852 9.148 0.760 1.00 0.00 C ATOM 0 HA PRO A 13 0.968 9.330 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.508 10.980 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.183 11.312 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.058 9.931 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.226 11.124 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.754 8.468 -0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.868 9.542 0.736 1.00 0.00 H new ATOM 136 N ASP A 14 -1.562 9.025 3.900 1.00 0.00 N ATOM 137 CA ASP A 14 -2.893 8.465 4.100 1.00 0.00 C ATOM 138 C ASP A 14 -3.670 8.428 2.788 1.00 0.00 C ATOM 139 O ASP A 14 -3.575 9.344 1.972 1.00 0.00 O ATOM 140 CB ASP A 14 -3.662 9.281 5.140 1.00 0.00 C ATOM 141 CG ASP A 14 -4.381 10.468 4.529 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.709 11.477 4.229 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.614 10.388 4.351 1.00 0.00 O ATOM 0 H ASP A 14 -1.328 9.792 4.531 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.780 7.443 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.387 8.638 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.970 9.633 5.905 1.00 0.00 H new ATOM 148 N LYS A 15 -4.439 7.362 2.591 1.00 0.00 N ATOM 149 CA LYS A 15 -5.233 7.204 1.379 1.00 0.00 C ATOM 150 C LYS A 15 -6.710 7.466 1.658 1.00 0.00 C ATOM 151 O LYS A 15 -7.254 6.997 2.657 1.00 0.00 O ATOM 152 CB LYS A 15 -5.053 5.796 0.806 1.00 0.00 C ATOM 153 CG LYS A 15 -3.692 5.566 0.174 1.00 0.00 C ATOM 154 CD LYS A 15 -3.675 5.990 -1.285 1.00 0.00 C ATOM 155 CE LYS A 15 -2.261 6.273 -1.767 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.249 7.159 -2.963 1.00 0.00 N ATOM 0 H LYS A 15 -4.529 6.594 3.256 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.884 7.934 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.202 5.067 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.826 5.615 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.935 6.125 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.428 4.511 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.119 5.206 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.289 6.881 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.690 6.739 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.764 5.333 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.267 7.328 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.772 6.703 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.700 8.066 -2.728 1.00 0.00 H new ATOM 170 N GLU A 16 -7.351 8.216 0.767 1.00 0.00 N ATOM 171 CA GLU A 16 -8.765 8.539 0.919 1.00 0.00 C ATOM 172 C GLU A 16 -9.521 8.297 -0.384 1.00 0.00 C ATOM 173 O GLU A 16 -9.447 9.099 -1.316 1.00 0.00 O ATOM 174 CB GLU A 16 -8.934 9.996 1.357 1.00 0.00 C ATOM 175 CG GLU A 16 -10.182 10.240 2.189 1.00 0.00 C ATOM 176 CD GLU A 16 -10.690 11.664 2.075 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.181 12.536 2.810 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.597 11.907 1.251 1.00 0.00 O ATOM 0 H GLU A 16 -6.915 8.611 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.180 7.886 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.059 10.297 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.968 10.631 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.966 9.552 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.967 10.018 3.234 1.00 0.00 H new ATOM 185 N LEU A 17 -10.248 7.187 -0.442 1.00 0.00 N ATOM 186 CA LEU A 17 -11.018 6.837 -1.631 1.00 0.00 C ATOM 187 C LEU A 17 -12.502 7.117 -1.420 1.00 0.00 C ATOM 188 O LEU A 17 -12.994 7.102 -0.291 1.00 0.00 O ATOM 189 CB LEU A 17 -10.810 5.363 -1.982 1.00 0.00 C ATOM 190 CG LEU A 17 -9.359 4.909 -2.142 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.247 3.404 -1.960 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.817 5.325 -3.502 1.00 0.00 C ATOM 0 H LEU A 17 -10.321 6.513 0.320 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.665 7.454 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.276 4.756 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.340 5.153 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.760 5.393 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.207 3.100 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.595 3.131 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.859 2.900 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.783 4.994 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.419 4.870 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.860 6.410 -3.594 1.00 0.00 H new ATOM 204 N THR A 18 -13.213 7.371 -2.514 1.00 0.00 N ATOM 205 CA THR A 18 -14.641 7.653 -2.450 1.00 0.00 C ATOM 206 C THR A 18 -15.409 6.843 -3.488 1.00 0.00 C ATOM 207 O THR A 18 -15.250 7.048 -4.692 1.00 0.00 O ATOM 208 CB THR A 18 -14.929 9.151 -2.668 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.143 9.937 -1.765 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.405 9.454 -2.461 1.00 0.00 C ATOM 0 H THR A 18 -12.822 7.387 -3.456 1.00 0.00 H new ATOM 0 HA THR A 18 -14.974 7.368 -1.452 1.00 0.00 H new ATOM 0 HB THR A 18 -14.664 9.404 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.330 10.888 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.584 10.517 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.998 8.876 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.692 9.186 -1.444 1.00 0.00 H new ATOM 218 N LEU A 19 -16.243 5.923 -3.015 1.00 0.00 N ATOM 219 CA LEU A 19 -17.038 5.082 -3.903 1.00 0.00 C ATOM 220 C LEU A 19 -17.620 5.900 -5.052 1.00 0.00 C ATOM 221 O LEU A 19 -17.755 7.121 -4.970 1.00 0.00 O ATOM 222 CB LEU A 19 -18.164 4.403 -3.123 1.00 0.00 C ATOM 223 CG LEU A 19 -17.799 3.098 -2.416 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.628 1.974 -3.426 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.532 3.274 -1.591 1.00 0.00 C ATOM 0 H LEU A 19 -16.386 5.741 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.383 4.318 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.537 5.105 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.986 4.203 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.613 2.832 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.368 1.053 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.560 1.831 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.833 2.231 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.287 2.335 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.709 3.564 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.691 4.050 -0.842 1.00 0.00 H new ATOM 237 N PRO A 20 -17.976 5.213 -6.147 1.00 0.00 N ATOM 238 CA PRO A 20 -17.819 3.760 -6.256 1.00 0.00 C ATOM 239 C PRO A 20 -16.356 3.340 -6.348 1.00 0.00 C ATOM 240 O PRO A 20 -16.040 2.150 -6.355 1.00 0.00 O ATOM 241 CB PRO A 20 -18.555 3.419 -7.554 1.00 0.00 C ATOM 242 CG PRO A 20 -18.507 4.673 -8.357 1.00 0.00 C ATOM 243 CD PRO A 20 -18.558 5.802 -7.365 1.00 0.00 C ATOM 0 HA PRO A 20 -18.209 3.242 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.072 2.594 -8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.583 3.114 -7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.596 4.719 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.346 4.725 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.985 6.664 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.579 6.144 -7.197 1.00 0.00 H new ATOM 251 N VAL A 21 -15.465 4.324 -6.418 1.00 0.00 N ATOM 252 CA VAL A 21 -14.035 4.057 -6.508 1.00 0.00 C ATOM 253 C VAL A 21 -13.592 3.068 -5.436 1.00 0.00 C ATOM 254 O VAL A 21 -13.236 3.459 -4.324 1.00 0.00 O ATOM 255 CB VAL A 21 -13.212 5.351 -6.368 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.731 5.066 -6.564 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.697 6.400 -7.356 1.00 0.00 C ATOM 0 H VAL A 21 -15.709 5.314 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.855 3.626 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.351 5.742 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.166 5.992 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.396 4.351 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.569 4.650 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.104 7.308 -7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.589 6.020 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.746 6.625 -7.162 1.00 0.00 H new ATOM 267 N ASP A 22 -13.617 1.784 -5.777 1.00 0.00 N ATOM 268 CA ASP A 22 -13.217 0.737 -4.844 1.00 0.00 C ATOM 269 C ASP A 22 -11.875 0.134 -5.247 1.00 0.00 C ATOM 270 O ASP A 22 -11.694 -1.083 -5.211 1.00 0.00 O ATOM 271 CB ASP A 22 -14.284 -0.357 -4.783 1.00 0.00 C ATOM 272 CG ASP A 22 -14.885 -0.656 -6.142 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.137 -1.104 -7.036 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.103 -0.442 -6.312 1.00 0.00 O ATOM 0 H ASP A 22 -13.910 1.443 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.112 1.186 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.844 -1.267 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.075 -0.051 -4.098 1.00 0.00 H new ATOM 279 N SER A 23 -10.937 0.994 -5.631 1.00 0.00 N ATOM 280 CA SER A 23 -9.613 0.545 -6.046 1.00 0.00 C ATOM 281 C SER A 23 -8.594 1.675 -5.924 1.00 0.00 C ATOM 282 O SER A 23 -8.849 2.805 -6.341 1.00 0.00 O ATOM 283 CB SER A 23 -9.653 0.033 -7.487 1.00 0.00 C ATOM 284 OG SER A 23 -10.026 1.064 -8.385 1.00 0.00 O ATOM 0 H SER A 23 -11.069 2.005 -5.663 1.00 0.00 H new ATOM 0 HA SER A 23 -9.309 -0.269 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.674 -0.358 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.360 -0.793 -7.563 1.00 0.00 H new ATOM 0 HG SER A 23 -9.827 1.935 -7.984 1.00 0.00 H new ATOM 290 N THR A 24 -7.437 1.360 -5.349 1.00 0.00 N ATOM 291 CA THR A 24 -6.380 2.347 -5.170 1.00 0.00 C ATOM 292 C THR A 24 -5.015 1.758 -5.509 1.00 0.00 C ATOM 293 O THR A 24 -4.889 0.558 -5.755 1.00 0.00 O ATOM 294 CB THR A 24 -6.350 2.883 -3.726 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.522 4.049 -3.654 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.828 1.824 -2.766 1.00 0.00 C ATOM 0 H THR A 24 -7.209 0.429 -5.000 1.00 0.00 H new ATOM 0 HA THR A 24 -6.598 3.170 -5.851 1.00 0.00 H new ATOM 0 HB THR A 24 -7.368 3.142 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.781 4.678 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.816 2.226 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.477 0.949 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.817 1.538 -3.055 1.00 0.00 H new ATOM 304 N THR A 25 -3.994 2.609 -5.521 1.00 0.00 N ATOM 305 CA THR A 25 -2.639 2.173 -5.831 1.00 0.00 C ATOM 306 C THR A 25 -1.684 2.487 -4.684 1.00 0.00 C ATOM 307 O THR A 25 -1.670 3.603 -4.163 1.00 0.00 O ATOM 308 CB THR A 25 -2.114 2.839 -7.117 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.185 4.264 -6.995 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.919 2.388 -8.327 1.00 0.00 C ATOM 0 H THR A 25 -4.080 3.605 -5.319 1.00 0.00 H new ATOM 0 HA THR A 25 -2.681 1.094 -5.981 1.00 0.00 H new ATOM 0 HB THR A 25 -1.076 2.538 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.848 4.680 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.530 2.871 -9.223 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.839 1.306 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.965 2.663 -8.191 1.00 0.00 H new ATOM 318 N LEU A 26 -0.888 1.498 -4.296 1.00 0.00 N ATOM 319 CA LEU A 26 0.071 1.669 -3.210 1.00 0.00 C ATOM 320 C LEU A 26 1.499 1.703 -3.746 1.00 0.00 C ATOM 321 O LEU A 26 2.178 0.678 -3.798 1.00 0.00 O ATOM 322 CB LEU A 26 -0.076 0.539 -2.190 1.00 0.00 C ATOM 323 CG LEU A 26 -1.461 0.376 -1.564 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.584 -0.979 -0.883 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.733 1.499 -0.573 1.00 0.00 C ATOM 0 H LEU A 26 -0.887 0.569 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.137 2.620 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.194 -0.399 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.645 0.703 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.206 0.429 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.577 -1.076 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.433 -1.770 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.831 -1.062 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.723 1.367 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.982 1.477 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.688 2.458 -1.089 1.00 0.00 H new ATOM 337 N ASP A 27 1.949 2.890 -4.140 1.00 0.00 N ATOM 338 CA ASP A 27 3.298 3.059 -4.669 1.00 0.00 C ATOM 339 C ASP A 27 4.309 3.212 -3.537 1.00 0.00 C ATOM 340 O ASP A 27 4.092 3.974 -2.596 1.00 0.00 O ATOM 341 CB ASP A 27 3.358 4.277 -5.592 1.00 0.00 C ATOM 342 CG ASP A 27 4.778 4.641 -5.978 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.559 3.722 -6.304 1.00 0.00 O ATOM 344 OD2 ASP A 27 5.108 5.845 -5.955 1.00 0.00 O ATOM 0 H ASP A 27 1.400 3.749 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 27 3.552 2.167 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.780 4.075 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.890 5.128 -5.097 1.00 0.00 H new ATOM 349 N GLY A 28 5.416 2.482 -3.636 1.00 0.00 N ATOM 350 CA GLY A 28 6.444 2.550 -2.614 1.00 0.00 C ATOM 351 C GLY A 28 7.842 2.574 -3.198 1.00 0.00 C ATOM 352 O GLY A 28 8.749 1.920 -2.683 1.00 0.00 O ATOM 0 H GLY A 28 5.619 1.845 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.291 3.443 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.347 1.693 -1.948 1.00 0.00 H new ATOM 356 N SER A 29 8.017 3.329 -4.278 1.00 0.00 N ATOM 357 CA SER A 29 9.314 3.431 -4.937 1.00 0.00 C ATOM 358 C SER A 29 10.353 4.041 -4.000 1.00 0.00 C ATOM 359 O SER A 29 11.433 3.483 -3.804 1.00 0.00 O ATOM 360 CB SER A 29 9.199 4.275 -6.208 1.00 0.00 C ATOM 361 OG SER A 29 8.590 5.526 -5.936 1.00 0.00 O ATOM 0 H SER A 29 7.277 3.879 -4.715 1.00 0.00 H new ATOM 0 HA SER A 29 9.638 2.425 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.190 4.434 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.614 3.737 -6.954 1.00 0.00 H new ATOM 0 HG SER A 29 8.530 6.047 -6.764 1.00 0.00 H new ATOM 367 N LYS A 30 10.018 5.191 -3.424 1.00 0.00 N ATOM 368 CA LYS A 30 10.919 5.878 -2.507 1.00 0.00 C ATOM 369 C LYS A 30 10.855 5.258 -1.115 1.00 0.00 C ATOM 370 O LYS A 30 10.719 5.964 -0.116 1.00 0.00 O ATOM 371 CB LYS A 30 10.566 7.365 -2.431 1.00 0.00 C ATOM 372 CG LYS A 30 10.681 8.086 -3.763 1.00 0.00 C ATOM 373 CD LYS A 30 9.820 9.338 -3.795 1.00 0.00 C ATOM 374 CE LYS A 30 10.133 10.198 -5.009 1.00 0.00 C ATOM 375 NZ LYS A 30 9.739 9.529 -6.280 1.00 0.00 N ATOM 0 H LYS A 30 9.129 5.667 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 30 11.935 5.771 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.547 7.469 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.222 7.849 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.722 8.354 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.380 7.416 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.767 9.057 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.983 9.917 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.611 11.151 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.200 10.420 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.969 10.148 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.256 8.632 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.716 9.340 -6.270 1.00 0.00 H new ATOM 389 N SER A 31 10.956 3.933 -1.056 1.00 0.00 N ATOM 390 CA SER A 31 10.907 3.218 0.213 1.00 0.00 C ATOM 391 C SER A 31 12.313 2.927 0.728 1.00 0.00 C ATOM 392 O SER A 31 12.603 1.821 1.184 1.00 0.00 O ATOM 393 CB SER A 31 10.128 1.911 0.057 1.00 0.00 C ATOM 394 OG SER A 31 10.691 1.101 -0.961 1.00 0.00 O ATOM 0 H SER A 31 11.072 3.334 -1.873 1.00 0.00 H new ATOM 0 HA SER A 31 10.397 3.852 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.130 1.367 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.087 2.130 -0.182 1.00 0.00 H new ATOM 0 HG SER A 31 10.161 1.191 -1.781 1.00 0.00 H new ATOM 400 N SER A 32 13.184 3.928 0.649 1.00 0.00 N ATOM 401 CA SER A 32 14.562 3.780 1.102 1.00 0.00 C ATOM 402 C SER A 32 15.308 5.108 1.016 1.00 0.00 C ATOM 403 O SER A 32 15.059 5.916 0.122 1.00 0.00 O ATOM 404 CB SER A 32 15.285 2.721 0.267 1.00 0.00 C ATOM 405 OG SER A 32 16.562 2.429 0.808 1.00 0.00 O ATOM 0 H SER A 32 12.960 4.850 0.275 1.00 0.00 H new ATOM 0 HA SER A 32 14.543 3.460 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.686 1.811 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.393 3.074 -0.759 1.00 0.00 H new ATOM 0 HG SER A 32 16.724 1.463 0.763 1.00 0.00 H new ATOM 411 N ASP A 33 16.225 5.326 1.953 1.00 0.00 N ATOM 412 CA ASP A 33 17.009 6.555 1.984 1.00 0.00 C ATOM 413 C ASP A 33 18.461 6.283 1.605 1.00 0.00 C ATOM 414 O ASP A 33 19.118 5.426 2.198 1.00 0.00 O ATOM 415 CB ASP A 33 16.943 7.192 3.373 1.00 0.00 C ATOM 416 CG ASP A 33 17.620 8.548 3.420 1.00 0.00 C ATOM 417 OD1 ASP A 33 17.322 9.391 2.549 1.00 0.00 O ATOM 418 OD2 ASP A 33 18.449 8.765 4.329 1.00 0.00 O ATOM 0 H ASP A 33 16.443 4.668 2.701 1.00 0.00 H new ATOM 0 HA ASP A 33 16.585 7.246 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.900 7.299 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.415 6.528 4.097 1.00 0.00 H new ATOM 423 N ASP A 34 18.955 7.015 0.613 1.00 0.00 N ATOM 424 CA ASP A 34 20.330 6.853 0.154 1.00 0.00 C ATOM 425 C ASP A 34 20.673 5.377 -0.025 1.00 0.00 C ATOM 426 O ASP A 34 21.792 4.952 0.257 1.00 0.00 O ATOM 427 CB ASP A 34 21.301 7.498 1.144 1.00 0.00 C ATOM 428 CG ASP A 34 20.922 8.927 1.478 1.00 0.00 C ATOM 429 OD1 ASP A 34 21.365 9.842 0.753 1.00 0.00 O ATOM 430 OD2 ASP A 34 20.184 9.131 2.465 1.00 0.00 O ATOM 0 H ASP A 34 18.424 7.727 0.111 1.00 0.00 H new ATOM 0 HA ASP A 34 20.425 7.350 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 34 21.326 6.908 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 34 22.307 7.480 0.726 1.00 0.00 H new ATOM 435 N GLN A 35 19.701 4.602 -0.495 1.00 0.00 N ATOM 436 CA GLN A 35 19.899 3.174 -0.710 1.00 0.00 C ATOM 437 C GLN A 35 19.036 2.671 -1.862 1.00 0.00 C ATOM 438 O GLN A 35 18.288 3.436 -2.472 1.00 0.00 O ATOM 439 CB GLN A 35 19.573 2.395 0.565 1.00 0.00 C ATOM 440 CG GLN A 35 20.762 2.229 1.498 1.00 0.00 C ATOM 441 CD GLN A 35 20.422 1.428 2.740 1.00 0.00 C ATOM 442 OE1 GLN A 35 19.799 1.940 3.671 1.00 0.00 O ATOM 443 NE2 GLN A 35 20.831 0.165 2.760 1.00 0.00 N ATOM 0 H GLN A 35 18.769 4.939 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 35 20.946 3.013 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.772 2.907 1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.196 1.409 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 35 21.573 1.735 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 35 21.127 3.213 1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.344 -0.217 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.632 -0.423 3.569 1.00 0.00 H new ATOM 452 N LYS A 36 19.144 1.380 -2.156 1.00 0.00 N ATOM 453 CA LYS A 36 18.372 0.773 -3.235 1.00 0.00 C ATOM 454 C LYS A 36 17.522 -0.381 -2.713 1.00 0.00 C ATOM 455 O LYS A 36 17.941 -1.117 -1.819 1.00 0.00 O ATOM 456 CB LYS A 36 19.307 0.274 -4.339 1.00 0.00 C ATOM 457 CG LYS A 36 18.578 -0.187 -5.590 1.00 0.00 C ATOM 458 CD LYS A 36 19.550 -0.545 -6.701 1.00 0.00 C ATOM 459 CE LYS A 36 19.883 0.664 -7.563 1.00 0.00 C ATOM 460 NZ LYS A 36 20.707 0.292 -8.746 1.00 0.00 N ATOM 0 H LYS A 36 19.759 0.733 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 36 17.707 1.533 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.000 1.072 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.905 -0.551 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.959 -1.053 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.907 0.601 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 36 20.466 -0.948 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.119 -1.329 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.960 1.137 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.419 1.400 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.912 1.143 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.599 -0.136 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.185 -0.391 -9.331 1.00 0.00 H new ATOM 474 N ILE A 37 16.329 -0.534 -3.278 1.00 0.00 N ATOM 475 CA ILE A 37 15.423 -1.600 -2.871 1.00 0.00 C ATOM 476 C ILE A 37 15.847 -2.939 -3.465 1.00 0.00 C ATOM 477 O ILE A 37 16.454 -2.990 -4.535 1.00 0.00 O ATOM 478 CB ILE A 37 13.973 -1.299 -3.296 1.00 0.00 C ATOM 479 CG1 ILE A 37 13.545 0.078 -2.787 1.00 0.00 C ATOM 480 CG2 ILE A 37 13.034 -2.378 -2.776 1.00 0.00 C ATOM 481 CD1 ILE A 37 13.718 0.252 -1.294 1.00 0.00 C ATOM 0 H ILE A 37 15.968 0.067 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 37 15.471 -1.656 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 37 13.922 -1.295 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 37 14.125 0.843 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.499 0.242 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 37 12.013 -2.152 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 37 13.330 -3.345 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.085 -2.411 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.395 1.252 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.117 -0.490 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 37 14.768 0.120 -1.032 1.00 0.00 H new ATOM 493 N ILE A 38 15.523 -4.020 -2.764 1.00 0.00 N ATOM 494 CA ILE A 38 15.868 -5.360 -3.223 1.00 0.00 C ATOM 495 C ILE A 38 14.617 -6.189 -3.491 1.00 0.00 C ATOM 496 O ILE A 38 14.587 -7.008 -4.409 1.00 0.00 O ATOM 497 CB ILE A 38 16.749 -6.097 -2.198 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.689 -7.073 -2.908 1.00 0.00 C ATOM 499 CG2 ILE A 38 15.882 -6.830 -1.185 1.00 0.00 C ATOM 500 CD1 ILE A 38 19.025 -6.466 -3.276 1.00 0.00 C ATOM 0 H ILE A 38 15.022 -3.994 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 38 16.427 -5.241 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 38 17.354 -5.362 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.856 -7.937 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 38 17.204 -7.439 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 38 16.519 -7.346 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.251 -6.113 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 38 15.254 -7.556 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.640 -7.215 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.868 -5.620 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.531 -6.125 -2.373 1.00 0.00 H new ATOM 512 N SER A 39 13.584 -5.969 -2.683 1.00 0.00 N ATOM 513 CA SER A 39 12.329 -6.697 -2.831 1.00 0.00 C ATOM 514 C SER A 39 11.142 -5.817 -2.451 1.00 0.00 C ATOM 515 O SER A 39 11.310 -4.751 -1.858 1.00 0.00 O ATOM 516 CB SER A 39 12.342 -7.958 -1.965 1.00 0.00 C ATOM 517 OG SER A 39 11.418 -8.918 -2.449 1.00 0.00 O ATOM 0 H SER A 39 13.592 -5.293 -1.920 1.00 0.00 H new ATOM 0 HA SER A 39 12.225 -6.984 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.344 -8.386 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.096 -7.699 -0.935 1.00 0.00 H new ATOM 0 HG SER A 39 11.446 -9.715 -1.880 1.00 0.00 H new ATOM 523 N TYR A 40 9.943 -6.271 -2.797 1.00 0.00 N ATOM 524 CA TYR A 40 8.727 -5.525 -2.495 1.00 0.00 C ATOM 525 C TYR A 40 7.616 -6.460 -2.027 1.00 0.00 C ATOM 526 O TYR A 40 7.424 -7.542 -2.583 1.00 0.00 O ATOM 527 CB TYR A 40 8.265 -4.742 -3.725 1.00 0.00 C ATOM 528 CG TYR A 40 9.167 -3.581 -4.078 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.132 -2.401 -3.345 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.053 -3.663 -5.145 1.00 0.00 C ATOM 531 CE1 TYR A 40 9.954 -1.338 -3.664 1.00 0.00 C ATOM 532 CE2 TYR A 40 10.879 -2.605 -5.471 1.00 0.00 C ATOM 533 CZ TYR A 40 10.826 -1.445 -4.728 1.00 0.00 C ATOM 534 OH TYR A 40 11.647 -0.388 -5.049 1.00 0.00 O ATOM 0 H TYR A 40 9.787 -7.152 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 40 8.951 -4.825 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.209 -5.420 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.257 -4.367 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.450 -2.314 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.097 -4.570 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.914 -0.428 -3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.562 -2.686 -6.303 1.00 0.00 H new ATOM 0 HH TYR A 40 12.200 -0.626 -5.822 1.00 0.00 H new ATOM 544 N LEU A 41 6.888 -6.035 -1.001 1.00 0.00 N ATOM 545 CA LEU A 41 5.794 -6.832 -0.456 1.00 0.00 C ATOM 546 C LEU A 41 4.623 -5.944 -0.048 1.00 0.00 C ATOM 547 O LEU A 41 4.816 -4.858 0.499 1.00 0.00 O ATOM 548 CB LEU A 41 6.279 -7.642 0.748 1.00 0.00 C ATOM 549 CG LEU A 41 5.276 -8.637 1.334 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.139 -9.852 0.430 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.699 -9.058 2.734 1.00 0.00 C ATOM 0 H LEU A 41 7.035 -5.143 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 41 5.453 -7.516 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.175 -8.189 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.573 -6.947 1.534 1.00 0.00 H new ATOM 0 HG LEU A 41 4.304 -8.147 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.421 -10.549 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.790 -9.536 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.107 -10.343 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.974 -9.766 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.681 -9.529 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.745 -8.181 3.379 1.00 0.00 H new ATOM 563 N TRP A 42 3.410 -6.414 -0.316 1.00 0.00 N ATOM 564 CA TRP A 42 2.207 -5.663 0.026 1.00 0.00 C ATOM 565 C TRP A 42 1.134 -6.584 0.595 1.00 0.00 C ATOM 566 O TRP A 42 0.571 -7.411 -0.121 1.00 0.00 O ATOM 567 CB TRP A 42 1.670 -4.933 -1.206 1.00 0.00 C ATOM 568 CG TRP A 42 2.450 -3.701 -1.554 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.363 -3.566 -2.561 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.386 -2.432 -0.893 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.870 -2.289 -2.566 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.287 -1.574 -1.554 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.655 -1.937 0.190 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.475 -0.250 -1.164 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.843 -0.623 0.575 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.746 0.208 -0.101 1.00 0.00 C ATOM 0 H TRP A 42 3.233 -7.311 -0.769 1.00 0.00 H new ATOM 0 HA TRP A 42 2.470 -4.929 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.682 -5.614 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.630 -4.658 -1.032 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.645 -4.347 -3.251 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.568 -1.931 -3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.956 -2.570 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.172 0.392 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.284 -0.230 1.411 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.869 1.231 0.224 1.00 0.00 H new ATOM 587 N GLU A 43 0.855 -6.435 1.886 1.00 0.00 N ATOM 588 CA GLU A 43 -0.152 -7.255 2.549 1.00 0.00 C ATOM 589 C GLU A 43 -0.951 -6.429 3.553 1.00 0.00 C ATOM 590 O GLU A 43 -0.459 -5.436 4.090 1.00 0.00 O ATOM 591 CB GLU A 43 0.510 -8.439 3.258 1.00 0.00 C ATOM 592 CG GLU A 43 1.278 -9.356 2.322 1.00 0.00 C ATOM 593 CD GLU A 43 1.558 -10.715 2.936 1.00 0.00 C ATOM 594 OE1 GLU A 43 2.299 -10.772 3.939 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.034 -11.720 2.413 1.00 0.00 O ATOM 0 H GLU A 43 1.312 -5.755 2.493 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.836 -7.632 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.190 -8.061 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.257 -9.018 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.710 -9.488 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.222 -8.883 2.049 1.00 0.00 H new ATOM 602 N LYS A 44 -2.188 -6.846 3.802 1.00 0.00 N ATOM 603 CA LYS A 44 -3.057 -6.148 4.741 1.00 0.00 C ATOM 604 C LYS A 44 -2.844 -6.658 6.163 1.00 0.00 C ATOM 605 O LYS A 44 -3.055 -7.837 6.449 1.00 0.00 O ATOM 606 CB LYS A 44 -4.523 -6.324 4.339 1.00 0.00 C ATOM 607 CG LYS A 44 -5.500 -5.663 5.296 1.00 0.00 C ATOM 608 CD LYS A 44 -6.917 -6.169 5.084 1.00 0.00 C ATOM 609 CE LYS A 44 -7.215 -6.391 3.609 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.658 -6.671 3.371 1.00 0.00 N ATOM 0 H LYS A 44 -2.611 -7.665 3.366 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.803 -5.088 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.669 -5.911 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.749 -7.389 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.193 -5.858 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.474 -4.582 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.056 -7.103 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.626 -5.451 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.918 -5.509 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.617 -7.224 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.757 -7.568 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.153 -6.740 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.073 -5.901 2.809 1.00 0.00 H new ATOM 624 N THR A 45 -2.426 -5.762 7.052 1.00 0.00 N ATOM 625 CA THR A 45 -2.185 -6.122 8.444 1.00 0.00 C ATOM 626 C THR A 45 -3.468 -6.041 9.262 1.00 0.00 C ATOM 627 O THR A 45 -3.704 -6.866 10.145 1.00 0.00 O ATOM 628 CB THR A 45 -1.122 -5.209 9.084 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.160 -3.913 8.476 1.00 0.00 O ATOM 630 CG2 THR A 45 0.268 -5.806 8.930 1.00 0.00 C ATOM 0 H THR A 45 -2.247 -4.782 6.833 1.00 0.00 H new ATOM 0 HA THR A 45 -1.820 -7.149 8.447 1.00 0.00 H new ATOM 0 HB THR A 45 -1.345 -5.118 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.252 -3.643 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.001 -5.144 9.390 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.302 -6.780 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.498 -5.923 7.871 1.00 0.00 H new ATOM 638 N GLN A 46 -4.294 -5.044 8.963 1.00 0.00 N ATOM 639 CA GLN A 46 -5.554 -4.857 9.673 1.00 0.00 C ATOM 640 C GLN A 46 -6.689 -4.562 8.698 1.00 0.00 C ATOM 641 O GLN A 46 -6.457 -4.323 7.513 1.00 0.00 O ATOM 642 CB GLN A 46 -5.428 -3.719 10.687 1.00 0.00 C ATOM 643 CG GLN A 46 -4.973 -4.178 12.063 1.00 0.00 C ATOM 644 CD GLN A 46 -4.627 -3.022 12.980 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.248 -1.960 12.920 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.631 -3.221 13.835 1.00 0.00 N ATOM 0 H GLN A 46 -4.114 -4.353 8.234 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.785 -5.782 10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.721 -2.981 10.307 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.392 -3.218 10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.761 -4.776 12.521 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.102 -4.825 11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.144 -4.117 13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.353 -2.478 14.476 1.00 0.00 H new ATOM 655 N GLY A 47 -7.918 -4.580 9.205 1.00 0.00 N ATOM 656 CA GLY A 47 -9.071 -4.314 8.365 1.00 0.00 C ATOM 657 C GLY A 47 -9.819 -5.577 7.989 1.00 0.00 C ATOM 658 O GLY A 47 -9.341 -6.692 8.196 1.00 0.00 O ATOM 0 H GLY A 47 -8.136 -4.774 10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.747 -3.637 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.746 -3.805 7.458 1.00 0.00 H new ATOM 662 N PRO A 48 -11.023 -5.410 7.422 1.00 0.00 N ATOM 663 CA PRO A 48 -11.865 -6.536 7.005 1.00 0.00 C ATOM 664 C PRO A 48 -11.291 -7.273 5.800 1.00 0.00 C ATOM 665 O PRO A 48 -11.274 -6.745 4.688 1.00 0.00 O ATOM 666 CB PRO A 48 -13.194 -5.869 6.642 1.00 0.00 C ATOM 667 CG PRO A 48 -12.830 -4.472 6.277 1.00 0.00 C ATOM 668 CD PRO A 48 -11.656 -4.110 7.145 1.00 0.00 C ATOM 0 HA PRO A 48 -11.951 -7.292 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.680 -6.381 5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.890 -5.890 7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.571 -4.399 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.666 -3.794 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.973 -3.431 6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.972 -3.614 8.062 1.00 0.00 H new ATOM 676 N ASP A 49 -10.824 -8.495 6.027 1.00 0.00 N ATOM 677 CA ASP A 49 -10.251 -9.306 4.959 1.00 0.00 C ATOM 678 C ASP A 49 -11.275 -9.554 3.856 1.00 0.00 C ATOM 679 O ASP A 49 -12.372 -10.048 4.113 1.00 0.00 O ATOM 680 CB ASP A 49 -9.749 -10.640 5.515 1.00 0.00 C ATOM 681 CG ASP A 49 -10.876 -11.622 5.768 1.00 0.00 C ATOM 682 OD1 ASP A 49 -11.212 -12.391 4.842 1.00 0.00 O ATOM 683 OD2 ASP A 49 -11.421 -11.623 6.891 1.00 0.00 O ATOM 0 H ASP A 49 -10.831 -8.946 6.942 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.410 -8.759 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.039 -11.079 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.210 -10.463 6.445 1.00 0.00 H new ATOM 688 N GLY A 50 -10.909 -9.205 2.626 1.00 0.00 N ATOM 689 CA GLY A 50 -11.807 -9.396 1.502 1.00 0.00 C ATOM 690 C GLY A 50 -11.298 -8.739 0.235 1.00 0.00 C ATOM 691 O GLY A 50 -11.658 -9.144 -0.871 1.00 0.00 O ATOM 0 H GLY A 50 -10.007 -8.793 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.941 -10.463 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.787 -8.988 1.751 1.00 0.00 H new ATOM 695 N VAL A 51 -10.458 -7.721 0.394 1.00 0.00 N ATOM 696 CA VAL A 51 -9.899 -7.006 -0.747 1.00 0.00 C ATOM 697 C VAL A 51 -8.937 -7.891 -1.532 1.00 0.00 C ATOM 698 O VAL A 51 -8.483 -8.921 -1.037 1.00 0.00 O ATOM 699 CB VAL A 51 -9.158 -5.731 -0.302 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.061 -4.863 0.561 1.00 0.00 C ATOM 701 CG2 VAL A 51 -7.880 -6.089 0.441 1.00 0.00 C ATOM 0 H VAL A 51 -10.150 -7.373 1.302 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.736 -6.727 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.886 -5.161 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.521 -3.967 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.945 -4.577 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.366 -5.422 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.370 -5.176 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.125 -6.681 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.228 -6.667 -0.214 1.00 0.00 H new ATOM 711 N GLN A 52 -8.632 -7.480 -2.759 1.00 0.00 N ATOM 712 CA GLN A 52 -7.724 -8.237 -3.613 1.00 0.00 C ATOM 713 C GLN A 52 -6.510 -7.397 -3.996 1.00 0.00 C ATOM 714 O GLN A 52 -6.632 -6.395 -4.701 1.00 0.00 O ATOM 715 CB GLN A 52 -8.451 -8.708 -4.875 1.00 0.00 C ATOM 716 CG GLN A 52 -9.124 -10.062 -4.719 1.00 0.00 C ATOM 717 CD GLN A 52 -8.164 -11.218 -4.920 1.00 0.00 C ATOM 718 OE1 GLN A 52 -7.401 -11.570 -4.021 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.198 -11.816 -6.106 1.00 0.00 N ATOM 0 H GLN A 52 -9.000 -6.628 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.380 -9.107 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.202 -7.967 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.738 -8.759 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.567 -10.131 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.940 -10.143 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.847 -11.491 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.575 -12.600 -6.300 1.00 0.00 H new ATOM 728 N LEU A 53 -5.339 -7.811 -3.525 1.00 0.00 N ATOM 729 CA LEU A 53 -4.101 -7.097 -3.817 1.00 0.00 C ATOM 730 C LEU A 53 -3.425 -7.665 -5.061 1.00 0.00 C ATOM 731 O LEU A 53 -3.135 -8.859 -5.131 1.00 0.00 O ATOM 732 CB LEU A 53 -3.148 -7.178 -2.624 1.00 0.00 C ATOM 733 CG LEU A 53 -3.253 -6.045 -1.603 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.909 -6.547 -0.209 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.345 -4.888 -1.994 1.00 0.00 C ATOM 0 H LEU A 53 -5.221 -8.638 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.350 -6.053 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.323 -8.122 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.126 -7.206 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.282 -5.686 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.989 -5.726 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.601 -7.341 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.890 -6.934 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.433 -4.091 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.312 -5.234 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.639 -4.510 -2.973 1.00 0.00 H new ATOM 747 N GLU A 54 -3.176 -6.800 -6.040 1.00 0.00 N ATOM 748 CA GLU A 54 -2.533 -7.217 -7.281 1.00 0.00 C ATOM 749 C GLU A 54 -1.074 -6.769 -7.314 1.00 0.00 C ATOM 750 O GLU A 54 -0.734 -5.691 -6.828 1.00 0.00 O ATOM 751 CB GLU A 54 -3.281 -6.645 -8.486 1.00 0.00 C ATOM 752 CG GLU A 54 -3.219 -7.532 -9.719 1.00 0.00 C ATOM 753 CD GLU A 54 -1.981 -7.279 -10.557 1.00 0.00 C ATOM 754 OE1 GLU A 54 -1.846 -6.158 -11.092 1.00 0.00 O ATOM 755 OE2 GLU A 54 -1.148 -8.201 -10.679 1.00 0.00 O ATOM 0 H GLU A 54 -3.409 -5.808 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.562 -8.306 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.325 -6.488 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.865 -5.668 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.238 -8.578 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.107 -7.363 -10.329 1.00 0.00 H new ATOM 762 N ASN A 55 -0.218 -7.605 -7.892 1.00 0.00 N ATOM 763 CA ASN A 55 1.204 -7.296 -7.989 1.00 0.00 C ATOM 764 C ASN A 55 1.780 -6.950 -6.619 1.00 0.00 C ATOM 765 O ASN A 55 2.599 -6.041 -6.490 1.00 0.00 O ATOM 766 CB ASN A 55 1.431 -6.134 -8.958 1.00 0.00 C ATOM 767 CG ASN A 55 1.590 -6.600 -10.392 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.563 -7.272 -10.734 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.631 -6.244 -11.239 1.00 0.00 N ATOM 0 H ASN A 55 -0.484 -8.501 -8.300 1.00 0.00 H new ATOM 0 HA ASN A 55 1.717 -8.180 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.591 -5.442 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.322 -5.582 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.683 -6.528 -12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.158 -5.686 -10.911 1.00 0.00 H new ATOM 776 N ALA A 56 1.345 -7.682 -5.598 1.00 0.00 N ATOM 777 CA ALA A 56 1.819 -7.455 -4.239 1.00 0.00 C ATOM 778 C ALA A 56 3.329 -7.644 -4.145 1.00 0.00 C ATOM 779 O ALA A 56 3.993 -7.017 -3.320 1.00 0.00 O ATOM 780 CB ALA A 56 1.107 -8.386 -3.269 1.00 0.00 C ATOM 0 H ALA A 56 0.665 -8.437 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 56 1.591 -6.424 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.471 -8.205 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.034 -8.199 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.305 -9.421 -3.546 1.00 0.00 H new ATOM 786 N ASN A 57 3.866 -8.514 -4.995 1.00 0.00 N ATOM 787 CA ASN A 57 5.299 -8.786 -5.006 1.00 0.00 C ATOM 788 C ASN A 57 6.032 -7.804 -5.914 1.00 0.00 C ATOM 789 O ASN A 57 7.090 -8.119 -6.461 1.00 0.00 O ATOM 790 CB ASN A 57 5.562 -10.221 -5.469 1.00 0.00 C ATOM 791 CG ASN A 57 7.041 -10.557 -5.495 1.00 0.00 C ATOM 792 OD1 ASN A 57 7.570 -11.000 -6.515 1.00 0.00 O ATOM 793 ND2 ASN A 57 7.715 -10.348 -4.371 1.00 0.00 N ATOM 0 H ASN A 57 3.331 -9.042 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 57 5.675 -8.664 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.046 -10.915 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.142 -10.361 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.713 -10.556 -4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.235 -9.979 -3.550 1.00 0.00 H new ATOM 800 N SER A 58 5.464 -6.613 -6.071 1.00 0.00 N ATOM 801 CA SER A 58 6.061 -5.586 -6.915 1.00 0.00 C ATOM 802 C SER A 58 6.099 -4.243 -6.192 1.00 0.00 C ATOM 803 O SER A 58 5.401 -4.040 -5.199 1.00 0.00 O ATOM 804 CB SER A 58 5.279 -5.452 -8.223 1.00 0.00 C ATOM 805 OG SER A 58 5.673 -6.441 -9.157 1.00 0.00 O ATOM 0 H SER A 58 4.590 -6.336 -5.624 1.00 0.00 H new ATOM 0 HA SER A 58 7.084 -5.886 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.211 -5.542 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.442 -4.461 -8.648 1.00 0.00 H new ATOM 0 HG SER A 58 5.157 -6.334 -9.983 1.00 0.00 H new ATOM 811 N SER A 59 6.921 -3.328 -6.698 1.00 0.00 N ATOM 812 CA SER A 59 7.054 -2.006 -6.099 1.00 0.00 C ATOM 813 C SER A 59 5.686 -1.369 -5.877 1.00 0.00 C ATOM 814 O SER A 59 5.378 -0.898 -4.782 1.00 0.00 O ATOM 815 CB SER A 59 7.910 -1.103 -6.991 1.00 0.00 C ATOM 816 OG SER A 59 7.336 -0.966 -8.279 1.00 0.00 O ATOM 0 H SER A 59 7.504 -3.479 -7.521 1.00 0.00 H new ATOM 0 HA SER A 59 7.543 -2.121 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.012 -0.121 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.913 -1.520 -7.079 1.00 0.00 H new ATOM 0 HG SER A 59 7.901 -0.383 -8.829 1.00 0.00 H new ATOM 822 N VAL A 60 4.867 -1.360 -6.924 1.00 0.00 N ATOM 823 CA VAL A 60 3.530 -0.783 -6.844 1.00 0.00 C ATOM 824 C VAL A 60 2.463 -1.872 -6.812 1.00 0.00 C ATOM 825 O VAL A 60 2.500 -2.815 -7.602 1.00 0.00 O ATOM 826 CB VAL A 60 3.253 0.157 -8.032 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.856 0.750 -7.929 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.304 1.254 -8.100 1.00 0.00 C ATOM 0 H VAL A 60 5.106 -1.746 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 60 3.487 -0.209 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 60 3.308 -0.424 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.678 1.412 -8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.119 -0.053 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.769 1.317 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.092 1.909 -8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.284 1.834 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.290 0.806 -8.226 1.00 0.00 H new ATOM 838 N ALA A 61 1.513 -1.734 -5.892 1.00 0.00 N ATOM 839 CA ALA A 61 0.434 -2.704 -5.758 1.00 0.00 C ATOM 840 C ALA A 61 -0.925 -2.048 -5.980 1.00 0.00 C ATOM 841 O ALA A 61 -1.077 -0.838 -5.809 1.00 0.00 O ATOM 842 CB ALA A 61 0.486 -3.366 -4.389 1.00 0.00 C ATOM 0 H ALA A 61 1.469 -0.960 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 61 0.568 -3.468 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.326 -4.088 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.441 -3.877 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.380 -2.607 -3.614 1.00 0.00 H new ATOM 848 N THR A 62 -1.911 -2.854 -6.362 1.00 0.00 N ATOM 849 CA THR A 62 -3.256 -2.352 -6.608 1.00 0.00 C ATOM 850 C THR A 62 -4.300 -3.197 -5.887 1.00 0.00 C ATOM 851 O THR A 62 -4.443 -4.389 -6.159 1.00 0.00 O ATOM 852 CB THR A 62 -3.581 -2.330 -8.114 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.515 -1.704 -8.836 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.883 -1.588 -8.377 1.00 0.00 C ATOM 0 H THR A 62 -1.802 -3.858 -6.508 1.00 0.00 H new ATOM 0 HA THR A 62 -3.288 -1.333 -6.222 1.00 0.00 H new ATOM 0 HB THR A 62 -3.694 -3.360 -8.453 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.728 -1.696 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.091 -1.586 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.698 -2.085 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.794 -0.561 -8.023 1.00 0.00 H new ATOM 862 N VAL A 63 -5.028 -2.572 -4.967 1.00 0.00 N ATOM 863 CA VAL A 63 -6.060 -3.267 -4.208 1.00 0.00 C ATOM 864 C VAL A 63 -7.440 -3.028 -4.809 1.00 0.00 C ATOM 865 O VAL A 63 -7.795 -1.898 -5.148 1.00 0.00 O ATOM 866 CB VAL A 63 -6.070 -2.820 -2.734 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.949 -3.741 -1.902 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.654 -2.778 -2.181 1.00 0.00 C ATOM 0 H VAL A 63 -4.922 -1.586 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.825 -4.330 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.487 -1.814 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.943 -3.409 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.969 -3.715 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.566 -4.760 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.680 -2.460 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.208 -3.770 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.058 -2.073 -2.761 1.00 0.00 H new ATOM 878 N THR A 64 -8.217 -4.099 -4.941 1.00 0.00 N ATOM 879 CA THR A 64 -9.559 -4.005 -5.502 1.00 0.00 C ATOM 880 C THR A 64 -10.591 -4.619 -4.564 1.00 0.00 C ATOM 881 O THR A 64 -10.311 -5.594 -3.868 1.00 0.00 O ATOM 882 CB THR A 64 -9.645 -4.707 -6.871 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.655 -6.128 -6.693 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.474 -4.310 -7.757 1.00 0.00 C ATOM 0 H THR A 64 -7.940 -5.041 -4.667 1.00 0.00 H new ATOM 0 HA THR A 64 -9.775 -2.944 -5.631 1.00 0.00 H new ATOM 0 HB THR A 64 -10.570 -4.396 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.712 -6.567 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.556 -4.818 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.486 -3.231 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.539 -4.596 -7.274 1.00 0.00 H new ATOM 892 N GLY A 65 -11.789 -4.041 -4.550 1.00 0.00 N ATOM 893 CA GLY A 65 -12.846 -4.546 -3.693 1.00 0.00 C ATOM 894 C GLY A 65 -12.817 -3.925 -2.310 1.00 0.00 C ATOM 895 O GLY A 65 -12.925 -4.627 -1.304 1.00 0.00 O ATOM 0 H GLY A 65 -12.046 -3.233 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.812 -4.347 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.752 -5.628 -3.604 1.00 0.00 H new ATOM 899 N LEU A 66 -12.669 -2.606 -2.258 1.00 0.00 N ATOM 900 CA LEU A 66 -12.625 -1.890 -0.988 1.00 0.00 C ATOM 901 C LEU A 66 -14.021 -1.446 -0.564 1.00 0.00 C ATOM 902 O LEU A 66 -14.877 -1.174 -1.405 1.00 0.00 O ATOM 903 CB LEU A 66 -11.701 -0.676 -1.097 1.00 0.00 C ATOM 904 CG LEU A 66 -10.211 -0.978 -1.256 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.506 0.171 -1.960 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.573 -1.247 0.099 1.00 0.00 C ATOM 0 H LEU A 66 -12.577 -2.010 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.235 -2.569 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.022 -0.076 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.834 -0.063 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.105 -1.873 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.446 -0.062 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.944 0.317 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.621 1.083 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.512 -1.460 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.690 -0.371 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.059 -2.103 0.567 1.00 0.00 H new ATOM 918 N GLN A 67 -14.241 -1.372 0.744 1.00 0.00 N ATOM 919 CA GLN A 67 -15.533 -0.959 1.279 1.00 0.00 C ATOM 920 C GLN A 67 -15.355 -0.034 2.479 1.00 0.00 C ATOM 921 O GLN A 67 -14.308 -0.035 3.127 1.00 0.00 O ATOM 922 CB GLN A 67 -16.358 -2.183 1.682 1.00 0.00 C ATOM 923 CG GLN A 67 -15.727 -3.002 2.796 1.00 0.00 C ATOM 924 CD GLN A 67 -16.679 -4.029 3.376 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.220 -3.845 4.467 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.889 -5.119 2.648 1.00 0.00 N ATOM 0 H GLN A 67 -13.542 -1.593 1.453 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.063 -0.414 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.348 -1.855 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.498 -2.820 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.842 -3.509 2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.393 -2.333 3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.420 -5.230 1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.520 -5.845 2.987 1.00 0.00 H new ATOM 935 N VAL A 68 -16.385 0.755 2.770 1.00 0.00 N ATOM 936 CA VAL A 68 -16.342 1.684 3.892 1.00 0.00 C ATOM 937 C VAL A 68 -15.741 1.026 5.128 1.00 0.00 C ATOM 938 O VAL A 68 -16.419 0.291 5.846 1.00 0.00 O ATOM 939 CB VAL A 68 -17.748 2.212 4.237 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.679 3.202 5.390 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.393 2.848 3.015 1.00 0.00 C ATOM 0 H VAL A 68 -17.259 0.769 2.244 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.712 2.520 3.587 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.366 1.370 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.681 3.564 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.261 2.709 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.045 4.043 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.385 3.215 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.778 3.679 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.479 2.106 2.221 1.00 0.00 H new ATOM 951 N GLY A 69 -14.462 1.295 5.373 1.00 0.00 N ATOM 952 CA GLY A 69 -13.789 0.721 6.524 1.00 0.00 C ATOM 953 C GLY A 69 -12.329 1.119 6.600 1.00 0.00 C ATOM 954 O GLY A 69 -11.840 1.880 5.764 1.00 0.00 O ATOM 0 H GLY A 69 -13.880 1.901 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.297 1.040 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.864 -0.366 6.481 1.00 0.00 H new ATOM 958 N THR A 70 -11.628 0.604 7.605 1.00 0.00 N ATOM 959 CA THR A 70 -10.215 0.911 7.789 1.00 0.00 C ATOM 960 C THR A 70 -9.334 -0.204 7.239 1.00 0.00 C ATOM 961 O THR A 70 -9.463 -1.363 7.635 1.00 0.00 O ATOM 962 CB THR A 70 -9.877 1.131 9.276 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.016 1.661 9.964 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.700 2.082 9.428 1.00 0.00 C ATOM 0 H THR A 70 -12.016 -0.028 8.305 1.00 0.00 H new ATOM 0 HA THR A 70 -10.017 1.831 7.239 1.00 0.00 H new ATOM 0 HB THR A 70 -9.605 0.169 9.710 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.794 1.796 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.480 2.222 10.486 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.827 1.663 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.949 3.043 8.979 1.00 0.00 H new ATOM 972 N TYR A 71 -8.438 0.153 6.326 1.00 0.00 N ATOM 973 CA TYR A 71 -7.535 -0.819 5.720 1.00 0.00 C ATOM 974 C TYR A 71 -6.079 -0.430 5.954 1.00 0.00 C ATOM 975 O TYR A 71 -5.621 0.614 5.491 1.00 0.00 O ATOM 976 CB TYR A 71 -7.809 -0.934 4.220 1.00 0.00 C ATOM 977 CG TYR A 71 -9.091 -1.666 3.893 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.147 -3.054 3.917 1.00 0.00 C ATOM 979 CD2 TYR A 71 -10.246 -0.970 3.559 1.00 0.00 C ATOM 980 CE1 TYR A 71 -10.316 -3.727 3.618 1.00 0.00 C ATOM 981 CE2 TYR A 71 -11.420 -1.634 3.260 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.450 -3.013 3.291 1.00 0.00 C ATOM 983 OH TYR A 71 -12.616 -3.679 2.994 1.00 0.00 O ATOM 0 H TYR A 71 -8.317 1.108 5.989 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.714 -1.786 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.852 0.066 3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.975 -1.450 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.262 -3.617 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.226 0.109 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.342 -4.806 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.309 -1.077 3.004 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.467 -4.645 3.061 1.00 0.00 H new ATOM 993 N VAL A 72 -5.355 -1.279 6.678 1.00 0.00 N ATOM 994 CA VAL A 72 -3.950 -1.027 6.973 1.00 0.00 C ATOM 995 C VAL A 72 -3.046 -1.985 6.205 1.00 0.00 C ATOM 996 O VAL A 72 -2.981 -3.175 6.513 1.00 0.00 O ATOM 997 CB VAL A 72 -3.660 -1.161 8.480 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.251 -0.684 8.797 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.689 -0.388 9.291 1.00 0.00 C ATOM 0 H VAL A 72 -5.719 -2.147 7.071 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.740 -0.004 6.660 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.731 -2.214 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.064 -0.786 9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.530 -1.286 8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.148 0.362 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.469 -0.494 10.353 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.652 0.666 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.684 -0.782 9.086 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.350 -1.458 5.204 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.449 -2.267 4.390 1.00 0.00 C ATOM 1011 C PHE A 73 0.007 -1.979 4.743 1.00 0.00 C ATOM 1012 O PHE A 73 0.464 -0.838 4.665 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.689 -1.996 2.903 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.113 -2.210 2.477 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.582 -3.483 2.196 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.982 -1.137 2.357 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.893 -3.683 1.804 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.294 -1.332 1.966 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.749 -2.606 1.688 1.00 0.00 C ATOM 0 H PHE A 73 -2.392 -0.475 4.936 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.654 -3.317 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.401 -0.969 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.041 -2.645 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.916 -4.329 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.631 -0.138 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.247 -4.680 1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.963 -0.488 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.773 -2.760 1.380 1.00 0.00 H new ATOM 1029 N THR A 74 0.733 -3.024 5.131 1.00 0.00 N ATOM 1030 CA THR A 74 2.137 -2.885 5.497 1.00 0.00 C ATOM 1031 C THR A 74 3.046 -3.165 4.306 1.00 0.00 C ATOM 1032 O THR A 74 2.808 -4.095 3.535 1.00 0.00 O ATOM 1033 CB THR A 74 2.513 -3.835 6.650 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.907 -3.390 7.869 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.023 -3.904 6.823 1.00 0.00 C ATOM 0 H THR A 74 0.371 -3.975 5.200 1.00 0.00 H new ATOM 0 HA THR A 74 2.278 -1.855 5.824 1.00 0.00 H new ATOM 0 HB THR A 74 2.145 -4.832 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.471 -3.647 8.628 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.265 -4.581 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.478 -4.271 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.409 -2.910 7.047 1.00 0.00 H new ATOM 1043 N LEU A 75 4.089 -2.355 4.161 1.00 0.00 N ATOM 1044 CA LEU A 75 5.036 -2.516 3.063 1.00 0.00 C ATOM 1045 C LEU A 75 6.389 -2.995 3.577 1.00 0.00 C ATOM 1046 O LEU A 75 7.111 -2.253 4.244 1.00 0.00 O ATOM 1047 CB LEU A 75 5.202 -1.195 2.309 1.00 0.00 C ATOM 1048 CG LEU A 75 6.414 -1.100 1.381 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.206 -1.959 0.143 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.674 0.348 0.990 1.00 0.00 C ATOM 0 H LEU A 75 4.300 -1.580 4.790 1.00 0.00 H new ATOM 0 HA LEU A 75 4.640 -3.269 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.303 -1.021 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.264 -0.388 3.039 1.00 0.00 H new ATOM 0 HG LEU A 75 7.287 -1.474 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.078 -1.879 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.069 -2.999 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.322 -1.615 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.540 0.397 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.801 0.748 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.867 0.938 1.886 1.00 0.00 H new ATOM 1062 N THR A 76 6.730 -4.241 3.260 1.00 0.00 N ATOM 1063 CA THR A 76 7.997 -4.819 3.689 1.00 0.00 C ATOM 1064 C THR A 76 9.003 -4.849 2.544 1.00 0.00 C ATOM 1065 O THR A 76 8.871 -5.639 1.609 1.00 0.00 O ATOM 1066 CB THR A 76 7.808 -6.249 4.228 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.752 -6.273 5.195 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.092 -6.764 4.860 1.00 0.00 C ATOM 0 H THR A 76 6.146 -4.869 2.708 1.00 0.00 H new ATOM 0 HA THR A 76 8.379 -4.185 4.489 1.00 0.00 H new ATOM 0 HB THR A 76 7.549 -6.897 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.637 -7.186 5.531 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.933 -7.776 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.887 -6.773 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.377 -6.113 5.686 1.00 0.00 H new ATOM 1076 N VAL A 77 10.009 -3.984 2.623 1.00 0.00 N ATOM 1077 CA VAL A 77 11.039 -3.913 1.594 1.00 0.00 C ATOM 1078 C VAL A 77 12.406 -4.286 2.157 1.00 0.00 C ATOM 1079 O VAL A 77 12.699 -4.032 3.326 1.00 0.00 O ATOM 1080 CB VAL A 77 11.118 -2.504 0.976 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.813 -2.152 0.280 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.459 -1.473 2.042 1.00 0.00 C ATOM 0 H VAL A 77 10.133 -3.322 3.389 1.00 0.00 H new ATOM 0 HA VAL A 77 10.762 -4.627 0.819 1.00 0.00 H new ATOM 0 HB VAL A 77 11.913 -2.498 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.888 -1.153 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.617 -2.875 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.997 -2.175 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.511 -0.483 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.689 -1.478 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.422 -1.717 2.490 1.00 0.00 H new ATOM 1092 N LYS A 78 13.240 -4.891 1.318 1.00 0.00 N ATOM 1093 CA LYS A 78 14.577 -5.299 1.730 1.00 0.00 C ATOM 1094 C LYS A 78 15.643 -4.585 0.905 1.00 0.00 C ATOM 1095 O LYS A 78 15.350 -4.024 -0.151 1.00 0.00 O ATOM 1096 CB LYS A 78 14.738 -6.815 1.587 1.00 0.00 C ATOM 1097 CG LYS A 78 14.220 -7.597 2.781 1.00 0.00 C ATOM 1098 CD LYS A 78 14.166 -9.087 2.491 1.00 0.00 C ATOM 1099 CE LYS A 78 12.823 -9.493 1.904 1.00 0.00 C ATOM 1100 NZ LYS A 78 11.780 -9.644 2.956 1.00 0.00 N ATOM 0 H LYS A 78 13.013 -5.110 0.348 1.00 0.00 H new ATOM 0 HA LYS A 78 14.706 -5.023 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.212 -7.145 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.793 -7.048 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.863 -7.416 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.225 -7.241 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.963 -9.352 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.346 -9.644 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.502 -8.744 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.932 -10.433 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.880 -9.921 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.074 -10.376 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.657 -8.740 3.455 1.00 0.00 H new ATOM 1114 N ASP A 79 16.878 -4.610 1.393 1.00 0.00 N ATOM 1115 CA ASP A 79 17.988 -3.967 0.699 1.00 0.00 C ATOM 1116 C ASP A 79 19.168 -4.923 0.558 1.00 0.00 C ATOM 1117 O ASP A 79 19.136 -6.042 1.068 1.00 0.00 O ATOM 1118 CB ASP A 79 18.423 -2.706 1.447 1.00 0.00 C ATOM 1119 CG ASP A 79 17.569 -1.503 1.100 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.356 -1.685 0.863 1.00 0.00 O ATOM 1121 OD2 ASP A 79 18.112 -0.379 1.064 1.00 0.00 O ATOM 0 H ASP A 79 17.136 -5.069 2.267 1.00 0.00 H new ATOM 0 HA ASP A 79 17.648 -3.689 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.370 -2.888 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.465 -2.488 1.211 1.00 0.00 H new ATOM 1126 N GLU A 80 20.208 -4.473 -0.138 1.00 0.00 N ATOM 1127 CA GLU A 80 21.397 -5.290 -0.347 1.00 0.00 C ATOM 1128 C GLU A 80 21.903 -5.862 0.974 1.00 0.00 C ATOM 1129 O GLU A 80 22.497 -6.940 1.008 1.00 0.00 O ATOM 1130 CB GLU A 80 22.500 -4.464 -1.013 1.00 0.00 C ATOM 1131 CG GLU A 80 22.065 -3.802 -2.310 1.00 0.00 C ATOM 1132 CD GLU A 80 23.136 -2.900 -2.892 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.275 -1.756 -2.411 1.00 0.00 O ATOM 1134 OE2 GLU A 80 23.836 -3.339 -3.829 1.00 0.00 O ATOM 0 H GLU A 80 20.251 -3.548 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 80 21.127 -6.118 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.837 -3.695 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.355 -5.110 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.808 -4.571 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.162 -3.219 -2.131 1.00 0.00 H new ATOM 1141 N ARG A 81 21.664 -5.133 2.058 1.00 0.00 N ATOM 1142 CA ARG A 81 22.096 -5.566 3.382 1.00 0.00 C ATOM 1143 C ARG A 81 21.002 -6.375 4.073 1.00 0.00 C ATOM 1144 O ARG A 81 20.975 -6.479 5.299 1.00 0.00 O ATOM 1145 CB ARG A 81 22.472 -4.357 4.240 1.00 0.00 C ATOM 1146 CG ARG A 81 23.567 -3.496 3.633 1.00 0.00 C ATOM 1147 CD ARG A 81 24.367 -2.774 4.705 1.00 0.00 C ATOM 1148 NE ARG A 81 25.235 -3.685 5.447 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.106 -3.284 6.366 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.226 -1.996 6.655 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.861 -4.174 6.998 1.00 0.00 N ATOM 0 H ARG A 81 21.173 -4.239 2.046 1.00 0.00 H new ATOM 0 HA ARG A 81 22.972 -6.203 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.585 -3.744 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.797 -4.705 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.234 -4.120 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.124 -2.767 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.971 -1.994 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.684 -2.280 5.396 1.00 0.00 H new ATOM 0 HE ARG A 81 25.169 -4.683 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.648 -1.309 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.896 -1.692 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 81 26.772 -5.166 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 81 27.530 -3.866 7.704 1.00 0.00 H new ATOM 1165 N ASN A 82 20.102 -6.944 3.278 1.00 0.00 N ATOM 1166 CA ASN A 82 19.005 -7.742 3.814 1.00 0.00 C ATOM 1167 C ASN A 82 18.260 -6.979 4.906 1.00 0.00 C ATOM 1168 O ASN A 82 17.653 -7.580 5.794 1.00 0.00 O ATOM 1169 CB ASN A 82 19.534 -9.065 4.371 1.00 0.00 C ATOM 1170 CG ASN A 82 19.586 -10.155 3.318 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.841 -10.124 2.338 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.469 -11.127 3.516 1.00 0.00 N ATOM 0 H ASN A 82 20.110 -6.868 2.261 1.00 0.00 H new ATOM 0 HA ASN A 82 18.309 -7.950 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.532 -8.911 4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.898 -9.389 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.550 -11.888 2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.067 -11.113 4.342 1.00 0.00 H new ATOM 1179 N LEU A 83 18.312 -5.654 4.835 1.00 0.00 N ATOM 1180 CA LEU A 83 17.642 -4.808 5.816 1.00 0.00 C ATOM 1181 C LEU A 83 16.126 -4.905 5.674 1.00 0.00 C ATOM 1182 O LEU A 83 15.551 -4.405 4.708 1.00 0.00 O ATOM 1183 CB LEU A 83 18.089 -3.354 5.656 1.00 0.00 C ATOM 1184 CG LEU A 83 19.311 -2.933 6.473 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.747 -1.526 6.095 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.012 -3.020 7.962 1.00 0.00 C ATOM 0 H LEU A 83 18.811 -5.142 4.108 1.00 0.00 H new ATOM 0 HA LEU A 83 17.918 -5.159 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.302 -3.174 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.255 -2.707 5.927 1.00 0.00 H new ATOM 0 HG LEU A 83 20.129 -3.617 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.618 -1.244 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.003 -1.497 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.933 -0.828 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.893 -2.717 8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.179 -2.360 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.749 -4.046 8.221 1.00 0.00 H new ATOM 1198 N GLN A 84 15.486 -5.549 6.645 1.00 0.00 N ATOM 1199 CA GLN A 84 14.037 -5.709 6.628 1.00 0.00 C ATOM 1200 C GLN A 84 13.350 -4.516 7.283 1.00 0.00 C ATOM 1201 O GLN A 84 13.480 -4.295 8.487 1.00 0.00 O ATOM 1202 CB GLN A 84 13.637 -7.000 7.346 1.00 0.00 C ATOM 1203 CG GLN A 84 12.158 -7.329 7.226 1.00 0.00 C ATOM 1204 CD GLN A 84 11.636 -8.113 8.414 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.999 -7.841 9.559 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.780 -9.092 8.148 1.00 0.00 N ATOM 0 H GLN A 84 15.948 -5.968 7.452 1.00 0.00 H new ATOM 0 HA GLN A 84 13.715 -5.765 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.219 -7.827 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.897 -6.915 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.591 -6.403 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.990 -7.903 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.507 -9.283 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.395 -9.654 8.908 1.00 0.00 H new ATOM 1215 N SER A 85 12.618 -3.748 6.481 1.00 0.00 N ATOM 1216 CA SER A 85 11.914 -2.573 6.982 1.00 0.00 C ATOM 1217 C SER A 85 10.413 -2.836 7.069 1.00 0.00 C ATOM 1218 O SER A 85 9.938 -3.908 6.694 1.00 0.00 O ATOM 1219 CB SER A 85 12.180 -1.368 6.078 1.00 0.00 C ATOM 1220 OG SER A 85 11.213 -0.353 6.282 1.00 0.00 O ATOM 0 H SER A 85 12.497 -3.918 5.483 1.00 0.00 H new ATOM 0 HA SER A 85 12.287 -2.356 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.175 -0.972 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.167 -1.683 5.034 1.00 0.00 H new ATOM 0 HG SER A 85 10.431 -0.528 5.718 1.00 0.00 H new ATOM 1226 N GLN A 86 9.674 -1.849 7.565 1.00 0.00 N ATOM 1227 CA GLN A 86 8.228 -1.974 7.702 1.00 0.00 C ATOM 1228 C GLN A 86 7.564 -0.601 7.741 1.00 0.00 C ATOM 1229 O GLN A 86 8.073 0.328 8.368 1.00 0.00 O ATOM 1230 CB GLN A 86 7.880 -2.757 8.969 1.00 0.00 C ATOM 1231 CG GLN A 86 6.575 -3.531 8.867 1.00 0.00 C ATOM 1232 CD GLN A 86 6.105 -4.062 10.207 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.409 -3.371 10.952 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.483 -5.295 10.521 1.00 0.00 N ATOM 0 H GLN A 86 10.052 -0.955 7.878 1.00 0.00 H new ATOM 0 HA GLN A 86 7.852 -2.515 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.689 -3.453 9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.817 -2.064 9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.805 -2.884 8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.704 -4.364 8.176 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.060 -5.832 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.197 -5.705 11.410 1.00 0.00 H new ATOM 1243 N SER A 87 6.426 -0.480 7.066 1.00 0.00 N ATOM 1244 CA SER A 87 5.695 0.781 7.019 1.00 0.00 C ATOM 1245 C SER A 87 4.251 0.556 6.579 1.00 0.00 C ATOM 1246 O SER A 87 3.994 0.114 5.460 1.00 0.00 O ATOM 1247 CB SER A 87 6.384 1.759 6.067 1.00 0.00 C ATOM 1248 OG SER A 87 7.552 2.305 6.654 1.00 0.00 O ATOM 0 H SER A 87 5.990 -1.240 6.544 1.00 0.00 H new ATOM 0 HA SER A 87 5.688 1.206 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.644 1.247 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.695 2.562 5.805 1.00 0.00 H new ATOM 0 HG SER A 87 8.010 2.875 6.002 1.00 0.00 H new ATOM 1254 N SER A 88 3.313 0.864 7.469 1.00 0.00 N ATOM 1255 CA SER A 88 1.895 0.692 7.176 1.00 0.00 C ATOM 1256 C SER A 88 1.256 2.022 6.789 1.00 0.00 C ATOM 1257 O SER A 88 1.681 3.084 7.244 1.00 0.00 O ATOM 1258 CB SER A 88 1.171 0.097 8.384 1.00 0.00 C ATOM 1259 OG SER A 88 1.821 -1.076 8.842 1.00 0.00 O ATOM 0 H SER A 88 3.510 1.234 8.399 1.00 0.00 H new ATOM 0 HA SER A 88 1.804 0.006 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.133 0.833 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.140 -0.136 8.116 1.00 0.00 H new ATOM 0 HG SER A 88 1.673 -1.803 8.202 1.00 0.00 H new ATOM 1265 N VAL A 89 0.230 1.956 5.947 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.471 3.154 5.499 1.00 0.00 C ATOM 1267 C VAL A 89 -1.954 3.084 5.844 1.00 0.00 C ATOM 1268 O VAL A 89 -2.579 2.030 5.734 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.318 3.358 3.980 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.828 2.142 3.223 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.047 4.618 3.536 1.00 0.00 C ATOM 0 H VAL A 89 -0.135 1.085 5.561 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.019 3.999 6.019 1.00 0.00 H new ATOM 0 HB VAL A 89 0.741 3.479 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.712 2.305 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.257 1.262 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.882 1.985 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.929 4.747 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.106 4.529 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.629 5.482 4.053 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.512 4.216 6.262 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.923 4.284 6.624 1.00 0.00 C ATOM 1283 C ASN A 90 -4.787 4.557 5.397 1.00 0.00 C ATOM 1284 O ASN A 90 -4.718 5.633 4.802 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.150 5.374 7.674 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.862 4.890 9.082 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.046 3.714 9.395 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.407 5.797 9.938 1.00 0.00 N ATOM 0 H ASN A 90 -2.009 5.098 6.358 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.212 3.320 7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.513 6.229 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.182 5.721 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.195 5.530 10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.270 6.761 9.634 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.602 3.575 5.023 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.481 3.710 3.867 1.00 0.00 C ATOM 1297 C VAL A 91 -7.935 3.863 4.298 1.00 0.00 C ATOM 1298 O VAL A 91 -8.585 2.891 4.683 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.361 2.496 2.927 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.294 2.649 1.735 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.921 2.318 2.468 1.00 0.00 C ATOM 0 H VAL A 91 -5.672 2.678 5.504 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.167 4.607 3.333 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.656 1.602 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.195 1.782 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.323 2.724 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.033 3.551 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.855 1.456 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.596 3.212 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.280 2.159 3.335 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.440 5.090 4.230 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.818 5.371 4.612 1.00 0.00 C ATOM 1313 C ILE A 92 -10.720 5.466 3.385 1.00 0.00 C ATOM 1314 O ILE A 92 -10.384 6.131 2.405 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.925 6.680 5.416 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -8.999 6.633 6.633 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.364 6.922 5.847 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.484 7.991 7.054 1.00 0.00 C ATOM 0 H ILE A 92 -7.915 5.906 3.914 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.146 4.542 5.239 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.614 7.507 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.534 6.181 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.151 5.985 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.423 7.851 6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.001 6.994 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.701 6.094 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.834 7.881 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.921 8.437 6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.325 8.636 7.310 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.867 4.798 3.448 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.820 4.810 2.344 1.00 0.00 C ATOM 1332 C VAL A 93 -14.110 5.518 2.739 1.00 0.00 C ATOM 1333 O VAL A 93 -14.671 5.264 3.805 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.154 3.381 1.876 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.229 3.408 0.801 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.902 2.679 1.371 1.00 0.00 C ATOM 0 H VAL A 93 -12.159 4.242 4.251 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.348 5.352 1.524 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.539 2.820 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.451 2.389 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.132 3.869 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.875 3.985 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.157 1.671 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.485 3.237 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.166 2.625 2.173 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.579 6.409 1.871 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.805 7.155 2.127 1.00 0.00 C ATOM 1348 C LYS A 94 -16.860 6.846 1.070 1.00 0.00 C ATOM 1349 O LYS A 94 -16.563 6.235 0.044 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.517 8.658 2.151 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.053 9.167 3.504 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.544 9.065 3.652 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.058 9.769 4.909 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.904 11.235 4.699 1.00 0.00 N ATOM 0 H LYS A 94 -14.128 6.632 0.984 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.190 6.850 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.755 8.885 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.418 9.197 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.362 10.205 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.536 8.593 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.251 8.016 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.061 9.503 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.763 9.590 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.103 9.344 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.017 11.557 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.881 11.439 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.706 11.734 5.134 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.093 7.272 1.328 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.191 7.041 0.397 1.00 0.00 C ATOM 1370 C GLU A 95 -19.382 8.239 -0.528 1.00 0.00 C ATOM 1371 O GLU A 95 -19.113 9.378 -0.148 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.487 6.761 1.162 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.649 5.307 1.573 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.930 5.059 2.347 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.335 5.950 3.122 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.526 3.976 2.177 1.00 0.00 O ATOM 0 H GLU A 95 -18.356 7.778 2.173 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.941 6.172 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.515 7.387 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.335 7.051 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.639 4.678 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.797 5.009 2.183 1.00 0.00 H new ATOM 1383 N GLU A 96 -19.848 7.972 -1.744 1.00 0.00 N ATOM 1384 CA GLU A 96 -20.074 9.028 -2.724 1.00 0.00 C ATOM 1385 C GLU A 96 -20.657 10.271 -2.059 1.00 0.00 C ATOM 1386 O GLU A 96 -21.386 10.176 -1.072 1.00 0.00 O ATOM 1387 CB GLU A 96 -21.014 8.538 -3.827 1.00 0.00 C ATOM 1388 CG GLU A 96 -21.142 9.505 -4.992 1.00 0.00 C ATOM 1389 CD GLU A 96 -21.617 8.828 -6.263 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -21.025 7.797 -6.643 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -22.580 9.331 -6.878 1.00 0.00 O ATOM 0 H GLU A 96 -20.076 7.034 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.113 9.290 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.654 7.579 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.002 8.364 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.840 10.299 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -20.177 9.977 -5.175 1.00 0.00 H new ATOM 1398 N SER A 97 -20.330 11.437 -2.607 1.00 0.00 N ATOM 1399 CA SER A 97 -20.816 12.700 -2.066 1.00 0.00 C ATOM 1400 C SER A 97 -22.006 13.214 -2.871 1.00 0.00 C ATOM 1401 O SER A 97 -22.305 12.706 -3.951 1.00 0.00 O ATOM 1402 CB SER A 97 -19.698 13.744 -2.064 1.00 0.00 C ATOM 1403 OG SER A 97 -19.468 14.247 -3.369 1.00 0.00 O ATOM 0 H SER A 97 -19.730 11.533 -3.426 1.00 0.00 H new ATOM 0 HA SER A 97 -21.141 12.525 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.963 14.564 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.782 13.300 -1.675 1.00 0.00 H new ATOM 0 HG SER A 97 -18.750 14.914 -3.341 1.00 0.00 H new ATOM 1409 N GLY A 98 -22.681 14.227 -2.337 1.00 0.00 N ATOM 1410 CA GLY A 98 -23.831 14.794 -3.018 1.00 0.00 C ATOM 1411 C GLY A 98 -25.121 14.078 -2.672 1.00 0.00 C ATOM 1412 O GLY A 98 -25.117 12.982 -2.110 1.00 0.00 O ATOM 0 H GLY A 98 -22.452 14.665 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.922 15.848 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.671 14.747 -4.095 1.00 0.00 H new ATOM 1416 N PRO A 99 -26.258 14.703 -3.010 1.00 0.00 N ATOM 1417 CA PRO A 99 -27.583 14.137 -2.741 1.00 0.00 C ATOM 1418 C PRO A 99 -27.880 12.918 -3.608 1.00 0.00 C ATOM 1419 O PRO A 99 -27.600 12.914 -4.807 1.00 0.00 O ATOM 1420 CB PRO A 99 -28.536 15.284 -3.086 1.00 0.00 C ATOM 1421 CG PRO A 99 -27.787 16.115 -4.070 1.00 0.00 C ATOM 1422 CD PRO A 99 -26.338 16.011 -3.683 1.00 0.00 C ATOM 0 HA PRO A 99 -27.674 13.784 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -29.468 14.911 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -28.799 15.861 -2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -27.946 15.754 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -28.125 17.151 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -25.685 16.055 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -26.040 16.823 -3.020 1.00 0.00 H new ATOM 1430 N SER A 100 -28.450 11.886 -2.995 1.00 0.00 N ATOM 1431 CA SER A 100 -28.782 10.660 -3.711 1.00 0.00 C ATOM 1432 C SER A 100 -30.273 10.354 -3.602 1.00 0.00 C ATOM 1433 O SER A 100 -30.962 10.203 -4.611 1.00 0.00 O ATOM 1434 CB SER A 100 -27.968 9.487 -3.161 1.00 0.00 C ATOM 1435 OG SER A 100 -26.579 9.703 -3.338 1.00 0.00 O ATOM 0 H SER A 100 -28.692 11.874 -2.004 1.00 0.00 H new ATOM 0 HA SER A 100 -28.534 10.804 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 100 -28.186 9.354 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.263 8.567 -3.665 1.00 0.00 H new ATOM 0 HG SER A 100 -26.081 8.940 -2.977 1.00 0.00 H new ATOM 1441 N SER A 101 -30.764 10.265 -2.370 1.00 0.00 N ATOM 1442 CA SER A 101 -32.172 9.973 -2.128 1.00 0.00 C ATOM 1443 C SER A 101 -33.001 11.254 -2.137 1.00 0.00 C ATOM 1444 O SER A 101 -32.939 12.054 -1.205 1.00 0.00 O ATOM 1445 CB SER A 101 -32.342 9.252 -0.790 1.00 0.00 C ATOM 1446 OG SER A 101 -31.927 10.072 0.288 1.00 0.00 O ATOM 0 H SER A 101 -30.208 10.391 -1.524 1.00 0.00 H new ATOM 0 HA SER A 101 -32.527 9.325 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 101 -33.386 8.970 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 101 -31.761 8.330 -0.794 1.00 0.00 H new ATOM 0 HG SER A 101 -32.276 10.979 0.162 1.00 0.00 H new ATOM 1452 N GLY A 102 -33.779 11.440 -3.200 1.00 0.00 N ATOM 1453 CA GLY A 102 -34.610 12.625 -3.312 1.00 0.00 C ATOM 1454 C GLY A 102 -34.025 13.656 -4.256 1.00 0.00 C ATOM 1455 O GLY A 102 -34.613 14.716 -4.470 1.00 0.00 O ATOM 0 H GLY A 102 -33.848 10.792 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -35.602 12.338 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -34.737 13.071 -2.325 1.00 0.00 H new TER 1459 GLY A 102