USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 174:sc= -2.37! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.437 F(o=-7.9!,f=-2.8) USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.53 (180deg=0.0062) USER MOD Single : A 1 SER OG : rot 180:sc= 0.255 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.71) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -7.23! C(o=-8.7!,f=-7.2!) USER MOD Single : A 17 ASN : amide:sc= -12.6! C(o=-13!,f=-18!) USER MOD Single : A 20 SER OG : rot -75:sc= 0.471 USER MOD Single : A 24 ASN : amide:sc= -2.33! C(o=-2.3!,f=-10!) USER MOD Single : A 29 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.064) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.229 (180deg=-0.957) USER MOD Single : A 33 GLN : amide:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 38 THR OG1 : rot 75:sc= 0.548 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -75:sc= -7.97! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -163:sc= -9.4! (180deg=-11.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.231 -11.801 3.185 1.00 0.00 N ATOM 2 CA SER A 1 19.086 -11.637 2.254 1.00 0.00 C ATOM 3 C SER A 1 17.799 -12.187 2.860 1.00 0.00 C ATOM 4 O SER A 1 17.199 -13.122 2.328 1.00 0.00 O ATOM 5 CB SER A 1 19.410 -12.371 0.950 1.00 0.00 C ATOM 6 OG SER A 1 20.762 -12.798 0.929 1.00 0.00 O ATOM 0 H1 SER A 1 20.554 -10.866 3.506 1.00 0.00 H new ATOM 0 H2 SER A 1 19.933 -12.365 4.006 1.00 0.00 H new ATOM 0 H3 SER A 1 21.009 -12.287 2.696 1.00 0.00 H new ATOM 0 HA SER A 1 18.931 -10.575 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.751 -13.232 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.219 -11.714 0.102 1.00 0.00 H new ATOM 0 HG SER A 1 20.944 -13.266 0.087 1.00 0.00 H new ATOM 14 N ALA A 2 17.380 -11.602 3.977 1.00 0.00 N ATOM 15 CA ALA A 2 16.165 -12.032 4.656 1.00 0.00 C ATOM 16 C ALA A 2 15.583 -10.909 5.506 1.00 0.00 C ATOM 17 O ALA A 2 15.938 -10.752 6.674 1.00 0.00 O ATOM 18 CB ALA A 2 16.448 -13.255 5.516 1.00 0.00 C ATOM 0 H ALA A 2 17.865 -10.828 4.431 1.00 0.00 H new ATOM 0 HA ALA A 2 15.428 -12.296 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.532 -13.567 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.810 -14.067 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.204 -13.009 6.261 1.00 0.00 H new ATOM 24 N ASP A 3 14.685 -10.128 4.912 1.00 0.00 N ATOM 25 CA ASP A 3 14.054 -9.018 5.615 1.00 0.00 C ATOM 26 C ASP A 3 12.625 -8.804 5.124 1.00 0.00 C ATOM 27 O ASP A 3 12.371 -8.768 3.920 1.00 0.00 O ATOM 28 CB ASP A 3 14.868 -7.737 5.426 1.00 0.00 C ATOM 29 CG ASP A 3 15.566 -7.303 6.701 1.00 0.00 C ATOM 30 OD1 ASP A 3 16.347 -8.107 7.253 1.00 0.00 O ATOM 31 OD2 ASP A 3 15.332 -6.160 7.146 1.00 0.00 O ATOM 0 H ASP A 3 14.379 -10.244 3.946 1.00 0.00 H new ATOM 0 HA ASP A 3 14.021 -9.265 6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.611 -7.894 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.209 -6.938 5.085 1.00 0.00 H new ATOM 36 N GLN A 4 11.696 -8.665 6.064 1.00 0.00 N ATOM 37 CA GLN A 4 10.294 -8.454 5.726 1.00 0.00 C ATOM 38 C GLN A 4 9.768 -7.173 6.365 1.00 0.00 C ATOM 39 O GLN A 4 10.235 -6.757 7.425 1.00 0.00 O ATOM 40 CB GLN A 4 9.453 -9.648 6.184 1.00 0.00 C ATOM 41 CG GLN A 4 9.809 -10.947 5.482 1.00 0.00 C ATOM 42 CD GLN A 4 8.635 -11.543 4.728 1.00 0.00 C ATOM 43 OE1 GLN A 4 7.660 -11.994 5.330 1.00 0.00 O ATOM 44 NE2 GLN A 4 8.722 -11.547 3.403 1.00 0.00 N ATOM 0 H GLN A 4 11.889 -8.695 7.065 1.00 0.00 H new ATOM 0 HA GLN A 4 10.217 -8.357 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 4 9.578 -9.779 7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.400 -9.428 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.629 -10.767 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.167 -11.667 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.548 -11.163 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.962 -11.934 2.843 1.00 0.00 H new ATOM 53 N PRO A 5 8.782 -6.530 5.722 1.00 0.00 N ATOM 54 CA PRO A 5 8.184 -5.290 6.223 1.00 0.00 C ATOM 55 C PRO A 5 7.708 -5.418 7.666 1.00 0.00 C ATOM 56 O PRO A 5 6.584 -5.850 7.923 1.00 0.00 O ATOM 57 CB PRO A 5 6.995 -5.063 5.286 1.00 0.00 C ATOM 58 CG PRO A 5 7.362 -5.775 4.031 1.00 0.00 C ATOM 59 CD PRO A 5 8.172 -6.968 4.453 1.00 0.00 C ATOM 0 HA PRO A 5 8.900 -4.468 6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.074 -5.460 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.830 -4.001 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.472 -6.082 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.937 -5.127 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.547 -7.851 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.928 -7.225 3.711 1.00 0.00 H new ATOM 67 N LYS A 6 8.569 -5.040 8.604 1.00 0.00 N ATOM 68 CA LYS A 6 8.234 -5.112 10.020 1.00 0.00 C ATOM 69 C LYS A 6 7.775 -3.753 10.537 1.00 0.00 C ATOM 70 O LYS A 6 8.344 -2.720 10.184 1.00 0.00 O ATOM 71 CB LYS A 6 9.439 -5.600 10.827 1.00 0.00 C ATOM 72 CG LYS A 6 9.610 -7.110 10.812 1.00 0.00 C ATOM 73 CD LYS A 6 9.951 -7.646 12.194 1.00 0.00 C ATOM 74 CE LYS A 6 11.422 -8.017 12.299 1.00 0.00 C ATOM 75 NZ LYS A 6 11.761 -8.570 13.639 1.00 0.00 N ATOM 0 H LYS A 6 9.504 -4.681 8.409 1.00 0.00 H new ATOM 0 HA LYS A 6 7.416 -5.822 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.343 -5.136 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.335 -5.265 11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.692 -7.578 10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.399 -7.381 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.709 -6.896 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.338 -8.521 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.667 -8.751 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.033 -7.136 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.772 -8.810 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.551 -7.861 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.196 -9.426 13.814 1.00 0.00 H new ATOM 89 N GLU A 7 6.743 -3.762 11.375 1.00 0.00 N ATOM 90 CA GLU A 7 6.206 -2.531 11.940 1.00 0.00 C ATOM 91 C GLU A 7 6.278 -1.389 10.930 1.00 0.00 C ATOM 92 O GLU A 7 6.529 -0.241 11.294 1.00 0.00 O ATOM 93 CB GLU A 7 6.971 -2.155 13.209 1.00 0.00 C ATOM 94 CG GLU A 7 8.376 -1.641 12.941 1.00 0.00 C ATOM 95 CD GLU A 7 8.788 -0.542 13.901 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.655 -0.742 15.127 1.00 0.00 O ATOM 97 OE2 GLU A 7 9.245 0.519 13.426 1.00 0.00 O ATOM 0 H GLU A 7 6.262 -4.609 11.677 1.00 0.00 H new ATOM 0 HA GLU A 7 5.159 -2.702 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.410 -1.392 13.749 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.030 -3.027 13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.082 -2.468 13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.433 -1.266 11.919 1.00 0.00 H new ATOM 104 N GLU A 8 6.060 -1.716 9.660 1.00 0.00 N ATOM 105 CA GLU A 8 6.101 -0.721 8.596 1.00 0.00 C ATOM 106 C GLU A 8 4.693 -0.312 8.177 1.00 0.00 C ATOM 107 O GLU A 8 4.195 -0.745 7.137 1.00 0.00 O ATOM 108 CB GLU A 8 6.868 -1.266 7.390 1.00 0.00 C ATOM 109 CG GLU A 8 8.352 -0.937 7.411 1.00 0.00 C ATOM 110 CD GLU A 8 8.721 0.150 6.420 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.851 -0.164 5.218 1.00 0.00 O ATOM 112 OE2 GLU A 8 8.881 1.313 6.846 1.00 0.00 O ATOM 0 H GLU A 8 5.853 -2.663 9.343 1.00 0.00 H new ATOM 0 HA GLU A 8 6.616 0.161 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.745 -2.348 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.428 -0.862 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.636 -0.621 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.924 -1.838 7.187 1.00 0.00 H new ATOM 119 N LYS A 9 4.057 0.524 8.991 1.00 0.00 N ATOM 120 CA LYS A 9 2.707 0.991 8.702 1.00 0.00 C ATOM 121 C LYS A 9 2.704 2.486 8.394 1.00 0.00 C ATOM 122 O LYS A 9 3.142 3.300 9.208 1.00 0.00 O ATOM 123 CB LYS A 9 1.779 0.696 9.884 1.00 0.00 C ATOM 124 CG LYS A 9 1.765 1.789 10.940 1.00 0.00 C ATOM 125 CD LYS A 9 0.750 2.871 10.608 1.00 0.00 C ATOM 126 CE LYS A 9 1.179 4.222 11.155 1.00 0.00 C ATOM 127 NZ LYS A 9 0.629 4.471 12.516 1.00 0.00 N ATOM 0 H LYS A 9 4.455 0.892 9.855 1.00 0.00 H new ATOM 0 HA LYS A 9 2.343 0.458 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.765 0.551 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.084 -0.241 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.531 1.355 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.758 2.232 11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.627 2.937 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.221 2.601 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.267 4.271 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.846 5.010 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.945 5.403 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.410 4.450 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.967 3.734 13.167 1.00 0.00 H new ATOM 141 N LYS A 10 2.206 2.839 7.214 1.00 0.00 N ATOM 142 CA LYS A 10 2.143 4.234 6.795 1.00 0.00 C ATOM 143 C LYS A 10 0.756 4.568 6.260 1.00 0.00 C ATOM 144 O LYS A 10 -0.174 3.771 6.382 1.00 0.00 O ATOM 145 CB LYS A 10 3.198 4.519 5.724 1.00 0.00 C ATOM 146 CG LYS A 10 4.356 5.368 6.222 1.00 0.00 C ATOM 147 CD LYS A 10 4.959 4.796 7.494 1.00 0.00 C ATOM 148 CE LYS A 10 6.461 5.019 7.548 1.00 0.00 C ATOM 149 NZ LYS A 10 6.802 6.418 7.932 1.00 0.00 N ATOM 0 H LYS A 10 1.840 2.177 6.530 1.00 0.00 H new ATOM 0 HA LYS A 10 2.345 4.861 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.587 3.573 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.723 5.024 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.123 5.428 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.010 6.385 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.490 5.261 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.746 3.728 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.905 4.328 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.897 4.793 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.651 6.723 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.008 7.046 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.986 6.462 8.955 1.00 0.00 H new ATOM 163 N GLU A 11 0.623 5.748 5.667 1.00 0.00 N ATOM 164 CA GLU A 11 -0.654 6.182 5.114 1.00 0.00 C ATOM 165 C GLU A 11 -0.838 5.649 3.696 1.00 0.00 C ATOM 166 O GLU A 11 -0.013 5.900 2.818 1.00 0.00 O ATOM 167 CB GLU A 11 -0.740 7.709 5.112 1.00 0.00 C ATOM 168 CG GLU A 11 -0.059 8.359 6.306 1.00 0.00 C ATOM 169 CD GLU A 11 0.977 9.388 5.897 1.00 0.00 C ATOM 170 OE1 GLU A 11 0.590 10.413 5.297 1.00 0.00 O ATOM 171 OE2 GLU A 11 2.174 9.168 6.177 1.00 0.00 O ATOM 0 H GLU A 11 1.382 6.420 5.557 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.450 5.782 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.288 8.089 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.789 8.005 5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.812 8.836 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.419 7.588 6.911 1.00 0.00 H new ATOM 178 N CYS A 12 -1.927 4.917 3.477 1.00 0.00 N ATOM 179 CA CYS A 12 -2.214 4.359 2.163 1.00 0.00 C ATOM 180 C CYS A 12 -2.449 5.477 1.155 1.00 0.00 C ATOM 181 O CYS A 12 -2.644 6.632 1.535 1.00 0.00 O ATOM 182 CB CYS A 12 -3.434 3.438 2.228 1.00 0.00 C ATOM 183 SG CYS A 12 -3.569 2.276 0.831 1.00 0.00 S ATOM 0 H CYS A 12 -2.622 4.698 4.191 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.354 3.772 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.396 2.869 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.335 4.050 2.265 1.00 0.00 H new ATOM 188 N TYR A 13 -2.418 5.140 -0.130 1.00 0.00 N ATOM 189 CA TYR A 13 -2.619 6.136 -1.176 1.00 0.00 C ATOM 190 C TYR A 13 -3.417 5.566 -2.342 1.00 0.00 C ATOM 191 O TYR A 13 -2.843 5.058 -3.305 1.00 0.00 O ATOM 192 CB TYR A 13 -1.273 6.658 -1.682 1.00 0.00 C ATOM 193 CG TYR A 13 -0.778 7.880 -0.951 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.500 7.840 0.409 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.587 9.076 -1.624 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.047 8.960 1.077 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.135 10.200 -0.966 1.00 0.00 C ATOM 198 CZ TYR A 13 0.133 10.138 0.385 1.00 0.00 C ATOM 199 OH TYR A 13 0.577 11.257 1.047 1.00 0.00 O ATOM 0 H TYR A 13 -2.257 4.192 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.187 6.959 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.530 5.866 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.361 6.892 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.640 6.918 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.796 9.129 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.165 8.913 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.008 11.124 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 13 0.743 11.975 0.401 1.00 0.00 H new ATOM 209 N TYR A 14 -4.739 5.665 -2.263 1.00 0.00 N ATOM 210 CA TYR A 14 -5.594 5.168 -3.332 1.00 0.00 C ATOM 211 C TYR A 14 -5.227 5.848 -4.645 1.00 0.00 C ATOM 212 O TYR A 14 -4.982 5.179 -5.650 1.00 0.00 O ATOM 213 CB TYR A 14 -7.063 5.403 -2.995 1.00 0.00 C ATOM 214 CG TYR A 14 -7.596 4.459 -1.937 1.00 0.00 C ATOM 215 CD1 TYR A 14 -8.158 3.236 -2.285 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.531 4.793 -0.590 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.642 2.373 -1.317 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.013 3.936 0.381 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.567 2.728 0.012 1.00 0.00 C ATOM 220 OH TYR A 14 -9.047 1.872 0.977 1.00 0.00 O ATOM 0 H TYR A 14 -5.238 6.081 -1.477 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.440 4.094 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.190 6.430 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.658 5.294 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.218 2.955 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.097 5.738 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.076 1.426 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.956 4.211 1.424 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.917 2.272 1.862 1.00 0.00 H new ATOM 230 N ASN A 15 -5.147 7.179 -4.628 1.00 0.00 N ATOM 231 CA ASN A 15 -4.760 7.920 -5.820 1.00 0.00 C ATOM 232 C ASN A 15 -3.344 7.497 -6.194 1.00 0.00 C ATOM 233 O ASN A 15 -3.117 6.327 -6.468 1.00 0.00 O ATOM 234 CB ASN A 15 -4.848 9.429 -5.575 1.00 0.00 C ATOM 235 CG ASN A 15 -6.273 9.945 -5.647 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.183 9.275 -4.949 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.553 10.935 -6.323 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.343 7.757 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.439 7.697 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.430 9.660 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.238 9.950 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.822 11.420 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.516 11.270 -6.362 1.00 0.00 H new ATOM 244 N LEU A 16 -2.379 8.411 -6.161 1.00 0.00 N ATOM 245 CA LEU A 16 -1.005 8.027 -6.456 1.00 0.00 C ATOM 246 C LEU A 16 0.004 8.913 -5.740 1.00 0.00 C ATOM 247 O LEU A 16 -0.255 9.394 -4.642 1.00 0.00 O ATOM 248 CB LEU A 16 -0.726 7.972 -7.953 1.00 0.00 C ATOM 249 CG LEU A 16 0.038 6.714 -8.392 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.142 6.357 -7.403 1.00 0.00 C ATOM 251 CD2 LEU A 16 -0.917 5.547 -8.536 1.00 0.00 C ATOM 0 H LEU A 16 -2.517 9.397 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.884 7.015 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.672 8.018 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.152 8.853 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 16 0.501 6.927 -9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.662 5.462 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.850 7.183 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.705 6.170 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.364 4.661 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.403 5.354 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.672 5.785 -9.285 1.00 0.00 H new ATOM 263 N ASN A 17 1.174 9.092 -6.341 1.00 0.00 N ATOM 264 CA ASN A 17 2.221 9.873 -5.710 1.00 0.00 C ATOM 265 C ASN A 17 3.525 9.801 -6.494 1.00 0.00 C ATOM 266 O ASN A 17 4.356 10.705 -6.425 1.00 0.00 O ATOM 267 CB ASN A 17 2.475 9.293 -4.329 1.00 0.00 C ATOM 268 CG ASN A 17 2.891 7.830 -4.428 1.00 0.00 C ATOM 269 OD1 ASN A 17 4.080 7.520 -4.462 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.922 6.916 -4.505 1.00 0.00 N ATOM 0 H ASN A 17 1.417 8.710 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 17 1.897 10.913 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.255 9.865 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.574 9.380 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.159 5.928 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.944 7.205 -4.474 1.00 0.00 H new ATOM 277 N ASP A 18 3.732 8.693 -7.193 1.00 0.00 N ATOM 278 CA ASP A 18 4.970 8.503 -7.929 1.00 0.00 C ATOM 279 C ASP A 18 6.138 8.756 -6.987 1.00 0.00 C ATOM 280 O ASP A 18 7.238 9.112 -7.408 1.00 0.00 O ATOM 281 CB ASP A 18 5.040 9.450 -9.128 1.00 0.00 C ATOM 282 CG ASP A 18 5.826 8.861 -10.282 1.00 0.00 C ATOM 283 OD1 ASP A 18 7.072 8.843 -10.204 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.195 8.418 -11.266 1.00 0.00 O ATOM 0 H ASP A 18 3.067 7.923 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 18 5.013 7.483 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.029 9.685 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.500 10.389 -8.820 1.00 0.00 H new ATOM 289 N ALA A 19 5.866 8.579 -5.694 1.00 0.00 N ATOM 290 CA ALA A 19 6.855 8.794 -4.652 1.00 0.00 C ATOM 291 C ALA A 19 7.453 10.190 -4.750 1.00 0.00 C ATOM 292 O ALA A 19 8.673 10.358 -4.753 1.00 0.00 O ATOM 293 CB ALA A 19 7.937 7.730 -4.712 1.00 0.00 C ATOM 0 H ALA A 19 4.954 8.283 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 19 6.356 8.713 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.668 7.909 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.488 6.746 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.433 7.770 -5.682 1.00 0.00 H new ATOM 299 N SER A 20 6.581 11.193 -4.825 1.00 0.00 N ATOM 300 CA SER A 20 7.021 12.579 -4.914 1.00 0.00 C ATOM 301 C SER A 20 5.842 13.531 -5.075 1.00 0.00 C ATOM 302 O SER A 20 5.391 14.131 -4.101 1.00 0.00 O ATOM 303 CB SER A 20 8.006 12.748 -6.069 1.00 0.00 C ATOM 304 OG SER A 20 7.420 12.370 -7.303 1.00 0.00 O ATOM 0 H SER A 20 5.568 11.070 -4.826 1.00 0.00 H new ATOM 0 HA SER A 20 7.523 12.831 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.333 13.786 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.894 12.143 -5.885 1.00 0.00 H new ATOM 0 HG SER A 20 7.374 11.393 -7.358 1.00 0.00 H new ATOM 310 N LEU A 21 5.351 13.666 -6.301 1.00 0.00 N ATOM 311 CA LEU A 21 4.221 14.548 -6.580 1.00 0.00 C ATOM 312 C LEU A 21 3.257 14.587 -5.398 1.00 0.00 C ATOM 313 O LEU A 21 2.642 15.616 -5.119 1.00 0.00 O ATOM 314 CB LEU A 21 3.481 14.068 -7.823 1.00 0.00 C ATOM 315 CG LEU A 21 2.797 12.718 -7.647 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.286 12.889 -7.580 1.00 0.00 C ATOM 317 CD2 LEU A 21 3.183 11.772 -8.771 1.00 0.00 C ATOM 0 H LEU A 21 5.716 13.177 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 21 4.608 15.553 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.733 14.811 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.186 14.003 -8.652 1.00 0.00 H new ATOM 0 HG LEU A 21 3.133 12.282 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.815 11.914 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.029 13.528 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.930 13.347 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.684 10.813 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.879 12.199 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.263 11.623 -8.767 1.00 0.00 H new ATOM 329 N CYS A 22 3.134 13.457 -4.702 1.00 0.00 N ATOM 330 CA CYS A 22 2.251 13.365 -3.545 1.00 0.00 C ATOM 331 C CYS A 22 0.783 13.387 -3.975 1.00 0.00 C ATOM 332 O CYS A 22 0.235 14.449 -4.267 1.00 0.00 O ATOM 333 CB CYS A 22 2.530 14.535 -2.599 1.00 0.00 C ATOM 334 SG CYS A 22 3.414 14.081 -1.072 1.00 0.00 S ATOM 0 H CYS A 22 3.635 12.596 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 22 2.443 12.422 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.114 15.285 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.582 15.001 -2.330 1.00 0.00 H new ATOM 339 N ASP A 23 0.146 12.215 -4.015 1.00 0.00 N ATOM 340 CA ASP A 23 -1.257 12.139 -4.416 1.00 0.00 C ATOM 341 C ASP A 23 -2.049 11.165 -3.541 1.00 0.00 C ATOM 342 O ASP A 23 -2.336 10.039 -3.946 1.00 0.00 O ATOM 343 CB ASP A 23 -1.369 11.737 -5.888 1.00 0.00 C ATOM 344 CG ASP A 23 -1.438 12.940 -6.808 1.00 0.00 C ATOM 345 OD1 ASP A 23 -0.969 14.025 -6.405 1.00 0.00 O ATOM 346 OD2 ASP A 23 -1.961 12.797 -7.933 1.00 0.00 O ATOM 0 H ASP A 23 0.573 11.319 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.689 13.130 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.511 11.122 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.259 11.123 -6.028 1.00 0.00 H new ATOM 351 N ASN A 24 -2.411 11.612 -2.343 1.00 0.00 N ATOM 352 CA ASN A 24 -3.174 10.786 -1.412 1.00 0.00 C ATOM 353 C ASN A 24 -4.658 10.770 -1.773 1.00 0.00 C ATOM 354 O ASN A 24 -5.088 9.997 -2.629 1.00 0.00 O ATOM 355 CB ASN A 24 -2.985 11.291 0.020 1.00 0.00 C ATOM 356 CG ASN A 24 -3.856 10.548 1.015 1.00 0.00 C ATOM 357 OD1 ASN A 24 -4.697 9.734 0.635 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.657 10.828 2.297 1.00 0.00 N ATOM 0 H ASN A 24 -2.188 12.544 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.799 9.765 -1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.939 11.183 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.218 12.355 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.213 10.361 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.948 11.510 2.566 1.00 0.00 H new ATOM 365 N VAL A 25 -5.440 11.622 -1.115 1.00 0.00 N ATOM 366 CA VAL A 25 -6.873 11.691 -1.370 1.00 0.00 C ATOM 367 C VAL A 25 -7.622 10.628 -0.572 1.00 0.00 C ATOM 368 O VAL A 25 -8.397 9.851 -1.131 1.00 0.00 O ATOM 369 CB VAL A 25 -7.188 11.510 -2.867 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.588 12.013 -3.183 1.00 0.00 C ATOM 371 CG2 VAL A 25 -6.150 12.224 -3.720 1.00 0.00 C ATOM 0 H VAL A 25 -5.105 12.272 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.204 12.681 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.149 10.447 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.792 11.877 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.317 11.452 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.660 13.071 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.388 12.086 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.154 13.288 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.163 11.811 -3.514 1.00 0.00 H new ATOM 381 N LEU A 26 -7.384 10.601 0.736 1.00 0.00 N ATOM 382 CA LEU A 26 -8.034 9.637 1.618 1.00 0.00 C ATOM 383 C LEU A 26 -7.246 8.332 1.680 1.00 0.00 C ATOM 384 O LEU A 26 -6.839 7.790 0.653 1.00 0.00 O ATOM 385 CB LEU A 26 -9.463 9.361 1.147 1.00 0.00 C ATOM 386 CG LEU A 26 -10.491 9.178 2.265 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.562 10.254 2.187 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.118 7.794 2.190 1.00 0.00 C ATOM 0 H LEU A 26 -6.744 11.238 1.210 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.066 10.068 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.785 10.185 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.458 8.463 0.529 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.979 9.273 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.284 10.107 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.100 11.236 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.071 10.191 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.847 7.681 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.616 7.672 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.341 7.037 2.296 1.00 0.00 H new ATOM 400 N ALA A 27 -7.038 7.830 2.894 1.00 0.00 N ATOM 401 CA ALA A 27 -6.303 6.588 3.095 1.00 0.00 C ATOM 402 C ALA A 27 -5.808 6.471 4.533 1.00 0.00 C ATOM 403 O ALA A 27 -5.083 7.337 5.022 1.00 0.00 O ATOM 404 CB ALA A 27 -5.136 6.502 2.124 1.00 0.00 C ATOM 0 H ALA A 27 -7.369 8.266 3.754 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.982 5.757 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.596 5.569 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.511 6.532 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.463 7.344 2.288 1.00 0.00 H new ATOM 410 N PRO A 28 -6.197 5.392 5.230 1.00 0.00 N ATOM 411 CA PRO A 28 -5.794 5.159 6.620 1.00 0.00 C ATOM 412 C PRO A 28 -4.327 4.758 6.740 1.00 0.00 C ATOM 413 O PRO A 28 -3.654 4.525 5.735 1.00 0.00 O ATOM 414 CB PRO A 28 -6.701 4.008 7.059 1.00 0.00 C ATOM 415 CG PRO A 28 -7.009 3.274 5.800 1.00 0.00 C ATOM 416 CD PRO A 28 -7.061 4.315 4.715 1.00 0.00 C ATOM 0 HA PRO A 28 -5.892 6.057 7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.202 3.363 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.609 4.378 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.245 2.527 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.959 2.745 5.879 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.693 3.924 3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.079 4.665 4.543 1.00 0.00 H new ATOM 424 N ASN A 29 -3.837 4.679 7.973 1.00 0.00 N ATOM 425 CA ASN A 29 -2.449 4.304 8.219 1.00 0.00 C ATOM 426 C ASN A 29 -2.334 2.816 8.525 1.00 0.00 C ATOM 427 O ASN A 29 -2.706 2.362 9.607 1.00 0.00 O ATOM 428 CB ASN A 29 -1.872 5.120 9.378 1.00 0.00 C ATOM 429 CG ASN A 29 -2.641 6.403 9.625 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.613 7.325 8.810 1.00 0.00 O ATOM 431 ND2 ASN A 29 -3.334 6.470 10.757 1.00 0.00 N ATOM 0 H ASN A 29 -4.379 4.869 8.816 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.878 4.517 7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.881 4.515 10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.830 5.360 9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.870 7.309 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.330 5.682 11.405 1.00 0.00 H new ATOM 438 N VAL A 30 -1.816 2.058 7.563 1.00 0.00 N ATOM 439 CA VAL A 30 -1.651 0.620 7.727 1.00 0.00 C ATOM 440 C VAL A 30 -0.343 0.145 7.107 1.00 0.00 C ATOM 441 O VAL A 30 0.532 0.951 6.785 1.00 0.00 O ATOM 442 CB VAL A 30 -2.821 -0.158 7.088 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.146 0.510 7.412 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.635 -0.272 5.581 1.00 0.00 C ATOM 0 H VAL A 30 -1.503 2.418 6.661 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.636 0.423 8.799 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.830 -1.164 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.959 -0.053 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.286 0.534 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.145 1.528 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.471 -0.824 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.595 0.725 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.705 -0.799 5.368 1.00 0.00 H new ATOM 454 N THR A 31 -0.222 -1.164 6.928 1.00 0.00 N ATOM 455 CA THR A 31 0.972 -1.742 6.331 1.00 0.00 C ATOM 456 C THR A 31 0.811 -1.830 4.818 1.00 0.00 C ATOM 457 O THR A 31 -0.202 -2.323 4.321 1.00 0.00 O ATOM 458 CB THR A 31 1.246 -3.130 6.912 1.00 0.00 C ATOM 459 OG1 THR A 31 0.199 -3.525 7.782 1.00 0.00 O ATOM 460 CG2 THR A 31 2.541 -3.206 7.691 1.00 0.00 C ATOM 0 H THR A 31 -0.936 -1.844 7.188 1.00 0.00 H new ATOM 0 HA THR A 31 1.820 -1.097 6.561 1.00 0.00 H new ATOM 0 HB THR A 31 1.317 -3.795 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.392 -4.416 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.675 -4.217 8.076 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.375 -2.953 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.507 -2.502 8.523 1.00 0.00 H new ATOM 468 N LYS A 32 1.809 -1.344 4.090 1.00 0.00 N ATOM 469 CA LYS A 32 1.767 -1.363 2.633 1.00 0.00 C ATOM 470 C LYS A 32 1.107 -2.642 2.132 1.00 0.00 C ATOM 471 O LYS A 32 0.466 -2.652 1.081 1.00 0.00 O ATOM 472 CB LYS A 32 3.186 -1.210 2.065 1.00 0.00 C ATOM 473 CG LYS A 32 3.731 -2.440 1.345 1.00 0.00 C ATOM 474 CD LYS A 32 4.224 -3.491 2.326 1.00 0.00 C ATOM 475 CE LYS A 32 5.634 -3.191 2.805 1.00 0.00 C ATOM 476 NZ LYS A 32 6.602 -3.113 1.674 1.00 0.00 N ATOM 0 H LYS A 32 2.655 -0.933 4.483 1.00 0.00 H new ATOM 0 HA LYS A 32 1.166 -0.523 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.194 -0.369 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.862 -0.957 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.952 -2.868 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.548 -2.145 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.550 -3.535 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.201 -4.472 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.638 -2.248 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.953 -3.966 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.558 -3.331 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.335 -3.800 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.589 -2.154 1.272 1.00 0.00 H new ATOM 490 N GLN A 33 1.267 -3.716 2.893 1.00 0.00 N ATOM 491 CA GLN A 33 0.687 -4.997 2.528 1.00 0.00 C ATOM 492 C GLN A 33 -0.834 -4.941 2.598 1.00 0.00 C ATOM 493 O GLN A 33 -1.514 -5.170 1.604 1.00 0.00 O ATOM 494 CB GLN A 33 1.211 -6.101 3.447 1.00 0.00 C ATOM 495 CG GLN A 33 2.706 -6.014 3.708 1.00 0.00 C ATOM 496 CD GLN A 33 3.285 -7.319 4.215 1.00 0.00 C ATOM 497 OE1 GLN A 33 4.293 -7.806 3.702 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.650 -7.895 5.229 1.00 0.00 N ATOM 0 H GLN A 33 1.794 -3.724 3.766 1.00 0.00 H new ATOM 0 HA GLN A 33 0.980 -5.221 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.681 -6.053 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.983 -7.070 3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.216 -5.728 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.899 -5.227 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.818 -7.457 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.994 -8.775 5.612 1.00 0.00 H new ATOM 507 N GLU A 34 -1.358 -4.640 3.782 1.00 0.00 N ATOM 508 CA GLU A 34 -2.801 -4.563 3.986 1.00 0.00 C ATOM 509 C GLU A 34 -3.438 -3.455 3.151 1.00 0.00 C ATOM 510 O GLU A 34 -4.473 -3.662 2.518 1.00 0.00 O ATOM 511 CB GLU A 34 -3.116 -4.334 5.466 1.00 0.00 C ATOM 512 CG GLU A 34 -2.096 -4.949 6.409 1.00 0.00 C ATOM 513 CD GLU A 34 -1.652 -6.330 5.966 1.00 0.00 C ATOM 514 OE1 GLU A 34 -2.469 -7.048 5.353 1.00 0.00 O ATOM 515 OE2 GLU A 34 -0.488 -6.693 6.235 1.00 0.00 O ATOM 0 H GLU A 34 -0.804 -4.445 4.616 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.224 -5.514 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.172 -3.262 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.099 -4.749 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.226 -4.295 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.523 -5.012 7.410 1.00 0.00 H new ATOM 522 N CYS A 35 -2.828 -2.275 3.166 1.00 0.00 N ATOM 523 CA CYS A 35 -3.356 -1.135 2.424 1.00 0.00 C ATOM 524 C CYS A 35 -3.536 -1.462 0.942 1.00 0.00 C ATOM 525 O CYS A 35 -4.658 -1.493 0.437 1.00 0.00 O ATOM 526 CB CYS A 35 -2.439 0.087 2.619 1.00 0.00 C ATOM 527 SG CYS A 35 -2.007 1.006 1.098 1.00 0.00 S ATOM 0 H CYS A 35 -1.970 -2.083 3.682 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.344 -0.897 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.924 0.775 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.516 -0.246 3.094 1.00 0.00 H new ATOM 532 N CYS A 36 -2.427 -1.683 0.247 1.00 0.00 N ATOM 533 CA CYS A 36 -2.467 -1.984 -1.179 1.00 0.00 C ATOM 534 C CYS A 36 -3.073 -3.356 -1.453 1.00 0.00 C ATOM 535 O CYS A 36 -3.598 -3.598 -2.539 1.00 0.00 O ATOM 536 CB CYS A 36 -1.061 -1.872 -1.774 1.00 0.00 C ATOM 537 SG CYS A 36 -0.415 -0.164 -1.772 1.00 0.00 S ATOM 0 H CYS A 36 -1.489 -1.660 0.647 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.114 -1.252 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.382 -2.511 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.075 -2.247 -2.797 1.00 0.00 H new ATOM 542 N CYS A 37 -3.031 -4.250 -0.467 1.00 0.00 N ATOM 543 CA CYS A 37 -3.616 -5.573 -0.645 1.00 0.00 C ATOM 544 C CYS A 37 -5.091 -5.428 -0.987 1.00 0.00 C ATOM 545 O CYS A 37 -5.613 -6.122 -1.860 1.00 0.00 O ATOM 546 CB CYS A 37 -3.465 -6.427 0.615 1.00 0.00 C ATOM 547 SG CYS A 37 -4.626 -7.830 0.700 1.00 0.00 S ATOM 0 H CYS A 37 -2.606 -4.086 0.446 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.088 -6.073 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.445 -6.809 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.610 -5.794 1.491 1.00 0.00 H new ATOM 552 N THR A 38 -5.753 -4.506 -0.294 1.00 0.00 N ATOM 553 CA THR A 38 -7.166 -4.249 -0.524 1.00 0.00 C ATOM 554 C THR A 38 -7.365 -3.653 -1.909 1.00 0.00 C ATOM 555 O THR A 38 -8.193 -4.122 -2.689 1.00 0.00 O ATOM 556 CB THR A 38 -7.710 -3.291 0.534 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.733 -3.028 1.525 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.943 -3.815 1.235 1.00 0.00 C ATOM 0 H THR A 38 -5.331 -3.926 0.431 1.00 0.00 H new ATOM 0 HA THR A 38 -7.708 -5.192 -0.457 1.00 0.00 H new ATOM 0 HB THR A 38 -7.976 -2.383 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.059 -2.414 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.278 -3.087 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.734 -3.981 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.706 -4.755 1.733 1.00 0.00 H new ATOM 566 N SER A 39 -6.586 -2.615 -2.200 1.00 0.00 N ATOM 567 CA SER A 39 -6.648 -1.931 -3.485 1.00 0.00 C ATOM 568 C SER A 39 -6.184 -0.491 -3.344 1.00 0.00 C ATOM 569 O SER A 39 -6.751 0.283 -2.573 1.00 0.00 O ATOM 570 CB SER A 39 -8.067 -1.967 -4.045 1.00 0.00 C ATOM 571 OG SER A 39 -8.229 -1.022 -5.089 1.00 0.00 O ATOM 0 H SER A 39 -5.898 -2.227 -1.555 1.00 0.00 H new ATOM 0 HA SER A 39 -5.985 -2.449 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.288 -2.967 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.781 -1.759 -3.248 1.00 0.00 H new ATOM 0 HG SER A 39 -9.146 -1.067 -5.431 1.00 0.00 H new ATOM 577 N GLY A 40 -5.145 -0.135 -4.087 1.00 0.00 N ATOM 578 CA GLY A 40 -4.625 1.213 -4.021 1.00 0.00 C ATOM 579 C GLY A 40 -3.694 1.551 -5.169 1.00 0.00 C ATOM 580 O GLY A 40 -3.885 1.094 -6.295 1.00 0.00 O ATOM 0 H GLY A 40 -4.655 -0.755 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.457 1.917 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.092 1.344 -3.079 1.00 0.00 H new ATOM 584 N ALA A 41 -2.692 2.365 -4.872 1.00 0.00 N ATOM 585 CA ALA A 41 -1.715 2.792 -5.866 1.00 0.00 C ATOM 586 C ALA A 41 -0.372 3.113 -5.227 1.00 0.00 C ATOM 587 O ALA A 41 0.674 2.921 -5.840 1.00 0.00 O ATOM 588 CB ALA A 41 -2.238 3.985 -6.637 1.00 0.00 C ATOM 0 H ALA A 41 -2.532 2.747 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.559 1.966 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.498 4.293 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.165 3.714 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.428 4.808 -5.948 1.00 0.00 H new ATOM 594 N GLY A 42 -0.412 3.605 -3.993 1.00 0.00 N ATOM 595 CA GLY A 42 0.800 3.947 -3.286 1.00 0.00 C ATOM 596 C GLY A 42 0.639 3.804 -1.782 1.00 0.00 C ATOM 597 O GLY A 42 -0.472 3.890 -1.259 1.00 0.00 O ATOM 0 H GLY A 42 -1.271 3.773 -3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.612 3.305 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.082 4.972 -3.525 1.00 0.00 H new ATOM 601 N TRP A 43 1.746 3.589 -1.082 1.00 0.00 N ATOM 602 CA TRP A 43 1.718 3.453 0.373 1.00 0.00 C ATOM 603 C TRP A 43 3.026 3.938 0.996 1.00 0.00 C ATOM 604 O TRP A 43 4.091 3.380 0.737 1.00 0.00 O ATOM 605 CB TRP A 43 1.455 2.003 0.781 1.00 0.00 C ATOM 606 CG TRP A 43 1.626 1.769 2.254 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.646 1.774 3.207 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.854 1.502 2.944 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.190 1.525 4.443 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.543 1.354 4.308 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.186 1.370 2.540 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.515 1.084 5.268 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.148 1.101 3.496 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.808 0.961 4.845 1.00 0.00 C ATOM 0 H TRP A 43 2.675 3.505 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 43 0.904 4.075 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.441 1.727 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.133 1.348 0.233 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.403 1.948 3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.671 1.475 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.458 1.476 1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.256 0.976 6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.180 0.997 3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.583 0.751 5.567 1.00 0.00 H new ATOM 625 N GLY A 44 2.936 4.980 1.818 1.00 0.00 N ATOM 626 CA GLY A 44 4.118 5.521 2.469 1.00 0.00 C ATOM 627 C GLY A 44 3.825 6.770 3.269 1.00 0.00 C ATOM 628 O GLY A 44 2.722 6.944 3.788 1.00 0.00 O ATOM 0 H GLY A 44 2.065 5.460 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.543 4.764 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.872 5.746 1.715 1.00 0.00 H new ATOM 632 N ASP A 45 4.823 7.636 3.373 1.00 0.00 N ATOM 633 CA ASP A 45 4.683 8.880 4.123 1.00 0.00 C ATOM 634 C ASP A 45 4.746 10.096 3.201 1.00 0.00 C ATOM 635 O ASP A 45 5.829 10.564 2.858 1.00 0.00 O ATOM 636 CB ASP A 45 5.773 8.979 5.190 1.00 0.00 C ATOM 637 CG ASP A 45 7.159 9.102 4.588 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.751 8.059 4.240 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.654 10.242 4.465 1.00 0.00 O ATOM 0 H ASP A 45 5.740 7.501 2.948 1.00 0.00 H new ATOM 0 HA ASP A 45 3.706 8.870 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.578 9.842 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.734 8.097 5.829 1.00 0.00 H new ATOM 644 N ASN A 46 3.571 10.598 2.819 1.00 0.00 N ATOM 645 CA ASN A 46 3.449 11.769 1.945 1.00 0.00 C ATOM 646 C ASN A 46 4.678 11.976 1.061 1.00 0.00 C ATOM 647 O ASN A 46 5.726 12.412 1.532 1.00 0.00 O ATOM 648 CB ASN A 46 3.197 13.024 2.778 1.00 0.00 C ATOM 649 CG ASN A 46 1.796 13.584 2.592 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.293 13.552 1.361 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 1.171 14.043 3.548 1.00 0.00 N flip ATOM 0 H ASN A 46 2.675 10.205 3.106 1.00 0.00 H new ATOM 0 HA ASN A 46 2.602 11.583 1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.354 12.793 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.927 13.787 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.592 14.049 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.232 14.417 3.411 1.00 0.00 H new ATOM 658 N CYS A 47 4.518 11.680 -0.228 1.00 0.00 N ATOM 659 CA CYS A 47 5.584 11.839 -1.223 1.00 0.00 C ATOM 660 C CYS A 47 6.546 10.657 -1.191 1.00 0.00 C ATOM 661 O CYS A 47 6.932 10.138 -2.238 1.00 0.00 O ATOM 662 CB CYS A 47 6.334 13.163 -1.037 1.00 0.00 C ATOM 663 SG CYS A 47 5.338 14.649 -1.414 1.00 0.00 S ATOM 0 H CYS A 47 3.645 11.322 -0.615 1.00 0.00 H new ATOM 0 HA CYS A 47 5.113 11.863 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.685 13.227 -0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.217 13.160 -1.676 1.00 0.00 H new ATOM 668 N GLU A 48 6.902 10.203 0.006 1.00 0.00 N ATOM 669 CA GLU A 48 7.781 9.050 0.147 1.00 0.00 C ATOM 670 C GLU A 48 6.920 7.795 0.190 1.00 0.00 C ATOM 671 O GLU A 48 7.024 6.968 1.097 1.00 0.00 O ATOM 672 CB GLU A 48 8.626 9.162 1.418 1.00 0.00 C ATOM 673 CG GLU A 48 8.997 10.591 1.775 1.00 0.00 C ATOM 674 CD GLU A 48 10.256 11.059 1.074 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.731 10.343 0.167 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.769 12.141 1.432 1.00 0.00 O ATOM 0 H GLU A 48 6.597 10.614 0.888 1.00 0.00 H new ATOM 0 HA GLU A 48 8.466 9.005 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.078 8.719 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.538 8.579 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.172 11.253 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.136 10.668 2.853 1.00 0.00 H new ATOM 683 N ILE A 49 6.033 7.705 -0.793 1.00 0.00 N ATOM 684 CA ILE A 49 5.083 6.617 -0.914 1.00 0.00 C ATOM 685 C ILE A 49 5.625 5.449 -1.735 1.00 0.00 C ATOM 686 O ILE A 49 6.606 5.584 -2.465 1.00 0.00 O ATOM 687 CB ILE A 49 3.793 7.152 -1.555 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.124 8.152 -0.621 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.836 6.028 -1.906 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.549 9.346 -1.344 1.00 0.00 C ATOM 0 H ILE A 49 5.956 8.398 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 49 4.887 6.233 0.087 1.00 0.00 H new ATOM 0 HB ILE A 49 4.061 7.655 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.328 7.650 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.851 8.496 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.935 6.445 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.315 5.350 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.569 5.481 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.087 10.020 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.346 9.870 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.799 9.011 -2.060 1.00 0.00 H new ATOM 702 N PHE A 50 4.963 4.300 -1.606 1.00 0.00 N ATOM 703 CA PHE A 50 5.350 3.089 -2.326 1.00 0.00 C ATOM 704 C PHE A 50 4.252 2.680 -3.304 1.00 0.00 C ATOM 705 O PHE A 50 3.199 2.188 -2.901 1.00 0.00 O ATOM 706 CB PHE A 50 5.626 1.952 -1.340 1.00 0.00 C ATOM 707 CG PHE A 50 5.682 0.598 -1.986 1.00 0.00 C ATOM 708 CD1 PHE A 50 6.722 0.265 -2.838 1.00 0.00 C ATOM 709 CD2 PHE A 50 4.695 -0.342 -1.739 1.00 0.00 C ATOM 710 CE1 PHE A 50 6.776 -0.982 -3.433 1.00 0.00 C ATOM 711 CE2 PHE A 50 4.743 -1.591 -2.331 1.00 0.00 C ATOM 712 CZ PHE A 50 5.786 -1.910 -3.180 1.00 0.00 C ATOM 0 H PHE A 50 4.148 4.183 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 50 6.261 3.295 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.572 2.143 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.849 1.949 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.499 0.987 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.878 -0.097 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.592 -1.230 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.967 -2.315 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.826 -2.884 -3.645 1.00 0.00 H new ATOM 722 N PRO A 51 4.487 2.903 -4.606 1.00 0.00 N ATOM 723 CA PRO A 51 3.518 2.589 -5.667 1.00 0.00 C ATOM 724 C PRO A 51 2.965 1.162 -5.618 1.00 0.00 C ATOM 725 O PRO A 51 3.550 0.243 -6.193 1.00 0.00 O ATOM 726 CB PRO A 51 4.328 2.792 -6.949 1.00 0.00 C ATOM 727 CG PRO A 51 5.372 3.786 -6.581 1.00 0.00 C ATOM 728 CD PRO A 51 5.717 3.509 -5.144 1.00 0.00 C ATOM 0 HA PRO A 51 2.632 3.217 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.773 1.857 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.700 3.159 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.250 3.685 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.003 4.804 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.568 2.833 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.981 4.423 -4.611 1.00 0.00 H new ATOM 736 N CYS A 52 1.818 0.987 -4.960 1.00 0.00 N ATOM 737 CA CYS A 52 1.172 -0.321 -4.879 1.00 0.00 C ATOM 738 C CYS A 52 -0.344 -0.192 -4.756 1.00 0.00 C ATOM 739 O CYS A 52 -0.876 0.817 -4.266 1.00 0.00 O ATOM 740 CB CYS A 52 1.718 -1.146 -3.713 1.00 0.00 C ATOM 741 SG CYS A 52 1.585 -0.351 -2.079 1.00 0.00 S ATOM 0 H CYS A 52 1.319 1.734 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 52 1.401 -0.841 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.188 -2.098 -3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.767 -1.371 -3.907 1.00 0.00 H new ATOM 746 N PRO A 53 -1.064 -1.229 -5.201 1.00 0.00 N ATOM 747 CA PRO A 53 -0.478 -2.428 -5.786 1.00 0.00 C ATOM 748 C PRO A 53 -0.399 -2.334 -7.305 1.00 0.00 C ATOM 749 O PRO A 53 -0.526 -1.250 -7.875 1.00 0.00 O ATOM 750 CB PRO A 53 -1.482 -3.496 -5.374 1.00 0.00 C ATOM 751 CG PRO A 53 -2.803 -2.793 -5.383 1.00 0.00 C ATOM 752 CD PRO A 53 -2.526 -1.318 -5.179 1.00 0.00 C ATOM 0 HA PRO A 53 0.545 -2.613 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.475 -4.336 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.252 -3.897 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.322 -2.960 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.448 -3.176 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.975 -0.714 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.934 -0.962 -4.233 1.00 0.00 H new ATOM 760 N VAL A 54 -0.201 -3.472 -7.958 1.00 0.00 N ATOM 761 CA VAL A 54 -0.121 -3.509 -9.411 1.00 0.00 C ATOM 762 C VAL A 54 -1.152 -4.476 -9.991 1.00 0.00 C ATOM 763 O VAL A 54 -1.381 -4.506 -11.200 1.00 0.00 O ATOM 764 CB VAL A 54 1.293 -3.905 -9.880 1.00 0.00 C ATOM 765 CG1 VAL A 54 1.827 -5.057 -9.046 1.00 0.00 C ATOM 766 CG2 VAL A 54 1.297 -4.253 -11.363 1.00 0.00 C ATOM 0 H VAL A 54 -0.093 -4.379 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.339 -2.505 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 54 1.953 -3.049 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.826 -5.323 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.872 -4.758 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.166 -5.918 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.306 -4.529 -11.669 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.622 -5.090 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.966 -3.390 -11.940 1.00 0.00 H new ATOM 776 N LEU A 55 -1.784 -5.256 -9.114 1.00 0.00 N ATOM 777 CA LEU A 55 -2.804 -6.216 -9.528 1.00 0.00 C ATOM 778 C LEU A 55 -2.194 -7.361 -10.328 1.00 0.00 C ATOM 779 O LEU A 55 -1.398 -7.139 -11.240 1.00 0.00 O ATOM 780 CB LEU A 55 -3.882 -5.519 -10.360 1.00 0.00 C ATOM 781 CG LEU A 55 -5.121 -5.081 -9.580 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.752 -4.728 -8.146 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.790 -3.900 -10.265 1.00 0.00 C ATOM 0 H LEU A 55 -1.606 -5.241 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.256 -6.631 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.442 -4.642 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.194 -6.192 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.826 -5.912 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.647 -4.418 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.316 -5.600 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.028 -3.913 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.671 -3.601 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.091 -3.066 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.089 -4.186 -11.273 1.00 0.00 H new ATOM 795 N GLY A 56 -2.580 -8.587 -9.979 1.00 0.00 N ATOM 796 CA GLY A 56 -2.067 -9.754 -10.672 1.00 0.00 C ATOM 797 C GLY A 56 -0.631 -9.573 -11.115 1.00 0.00 C ATOM 798 O GLY A 56 -0.329 -9.643 -12.307 1.00 0.00 O ATOM 0 H GLY A 56 -3.239 -8.791 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.136 -10.623 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.690 -9.960 -11.542 1.00 0.00 H new ATOM 802 N THR A 57 0.254 -9.328 -10.156 1.00 0.00 N ATOM 803 CA THR A 57 1.664 -9.122 -10.459 1.00 0.00 C ATOM 804 C THR A 57 2.536 -9.375 -9.233 1.00 0.00 C ATOM 805 O THR A 57 2.076 -9.927 -8.234 1.00 0.00 O ATOM 806 CB THR A 57 1.879 -7.701 -10.972 1.00 0.00 C ATOM 807 OG1 THR A 57 0.815 -6.860 -10.560 1.00 0.00 O ATOM 808 CG2 THR A 57 1.971 -7.615 -12.479 1.00 0.00 C ATOM 0 H THR A 57 0.021 -9.267 -9.165 1.00 0.00 H new ATOM 0 HA THR A 57 1.956 -9.835 -11.230 1.00 0.00 H new ATOM 0 HB THR A 57 2.830 -7.379 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.019 -7.052 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.124 -6.577 -12.776 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.809 -8.219 -12.827 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.047 -7.987 -12.922 1.00 0.00 H new ATOM 816 N ALA A 58 3.800 -8.974 -9.326 1.00 0.00 N ATOM 817 CA ALA A 58 4.750 -9.161 -8.237 1.00 0.00 C ATOM 818 C ALA A 58 4.355 -8.373 -6.988 1.00 0.00 C ATOM 819 O ALA A 58 3.992 -8.953 -5.969 1.00 0.00 O ATOM 820 CB ALA A 58 6.146 -8.762 -8.689 1.00 0.00 C ATOM 0 H ALA A 58 4.191 -8.515 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 58 4.741 -10.218 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.849 -8.905 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.445 -9.381 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.146 -7.714 -8.988 1.00 0.00 H new ATOM 826 N GLU A 59 4.448 -7.050 -7.067 1.00 0.00 N ATOM 827 CA GLU A 59 4.119 -6.194 -5.931 1.00 0.00 C ATOM 828 C GLU A 59 2.916 -6.721 -5.152 1.00 0.00 C ATOM 829 O GLU A 59 3.078 -7.364 -4.115 1.00 0.00 O ATOM 830 CB GLU A 59 3.863 -4.760 -6.397 1.00 0.00 C ATOM 831 CG GLU A 59 4.647 -3.727 -5.608 1.00 0.00 C ATOM 832 CD GLU A 59 5.400 -2.759 -6.501 1.00 0.00 C ATOM 833 OE1 GLU A 59 5.426 -2.984 -7.730 1.00 0.00 O ATOM 834 OE2 GLU A 59 5.964 -1.778 -5.972 1.00 0.00 O ATOM 0 H GLU A 59 4.747 -6.547 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 59 4.977 -6.201 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.123 -4.676 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.798 -4.542 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.964 -3.169 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.354 -4.236 -4.952 1.00 0.00 H new ATOM 841 N PHE A 60 1.712 -6.436 -5.643 1.00 0.00 N ATOM 842 CA PHE A 60 0.489 -6.875 -4.977 1.00 0.00 C ATOM 843 C PHE A 60 0.679 -8.221 -4.284 1.00 0.00 C ATOM 844 O PHE A 60 0.891 -8.281 -3.073 1.00 0.00 O ATOM 845 CB PHE A 60 -0.666 -6.967 -5.975 1.00 0.00 C ATOM 846 CG PHE A 60 -1.963 -7.371 -5.337 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.099 -7.361 -3.958 1.00 0.00 C ATOM 848 CD2 PHE A 60 -3.045 -7.757 -6.111 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.290 -7.728 -3.364 1.00 0.00 C ATOM 850 CE2 PHE A 60 -4.239 -8.126 -5.521 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.361 -8.111 -4.145 1.00 0.00 C ATOM 0 H PHE A 60 1.558 -5.903 -6.499 1.00 0.00 H new ATOM 0 HA PHE A 60 0.249 -6.131 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.794 -6.001 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.410 -7.687 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.264 -7.063 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.955 -7.770 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.383 -7.715 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.076 -8.426 -6.135 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.293 -8.399 -3.681 1.00 0.00 H new ATOM 861 N THR A 61 0.592 -9.298 -5.055 1.00 0.00 N ATOM 862 CA THR A 61 0.745 -10.642 -4.506 1.00 0.00 C ATOM 863 C THR A 61 1.835 -10.678 -3.441 1.00 0.00 C ATOM 864 O THR A 61 1.627 -11.196 -2.344 1.00 0.00 O ATOM 865 CB THR A 61 1.065 -11.640 -5.619 1.00 0.00 C ATOM 866 OG1 THR A 61 0.787 -12.964 -5.198 1.00 0.00 O ATOM 867 CG2 THR A 61 2.510 -11.596 -6.064 1.00 0.00 C ATOM 0 H THR A 61 0.417 -9.269 -6.059 1.00 0.00 H new ATOM 0 HA THR A 61 -0.199 -10.923 -4.039 1.00 0.00 H new ATOM 0 HB THR A 61 0.433 -11.350 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.996 -13.589 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.669 -12.328 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.745 -10.600 -6.439 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.158 -11.828 -5.219 1.00 0.00 H new ATOM 875 N GLU A 62 2.998 -10.126 -3.769 1.00 0.00 N ATOM 876 CA GLU A 62 4.121 -10.095 -2.838 1.00 0.00 C ATOM 877 C GLU A 62 3.704 -9.486 -1.505 1.00 0.00 C ATOM 878 O GLU A 62 4.175 -9.902 -0.446 1.00 0.00 O ATOM 879 CB GLU A 62 5.284 -9.294 -3.428 1.00 0.00 C ATOM 880 CG GLU A 62 5.936 -9.951 -4.633 1.00 0.00 C ATOM 881 CD GLU A 62 7.290 -10.550 -4.308 1.00 0.00 C ATOM 882 OE1 GLU A 62 8.016 -9.963 -3.478 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.625 -11.607 -4.884 1.00 0.00 O ATOM 0 H GLU A 62 3.188 -9.694 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 62 4.444 -11.122 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.923 -8.307 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.038 -9.145 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.279 -10.732 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.050 -9.213 -5.427 1.00 0.00 H new ATOM 890 N MET A 63 2.824 -8.494 -1.564 1.00 0.00 N ATOM 891 CA MET A 63 2.350 -7.820 -0.364 1.00 0.00 C ATOM 892 C MET A 63 1.221 -8.605 0.300 1.00 0.00 C ATOM 893 O MET A 63 1.179 -8.730 1.523 1.00 0.00 O ATOM 894 CB MET A 63 1.892 -6.397 -0.701 1.00 0.00 C ATOM 895 CG MET A 63 0.403 -6.274 -0.994 1.00 0.00 C ATOM 896 SD MET A 63 0.013 -4.850 -2.030 1.00 0.00 S ATOM 897 CE MET A 63 1.512 -3.884 -1.863 1.00 0.00 C ATOM 0 H MET A 63 2.424 -8.139 -2.432 1.00 0.00 H new ATOM 0 HA MET A 63 3.177 -7.764 0.344 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.143 -5.740 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.452 -6.042 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.058 -7.183 -1.487 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.143 -6.195 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.322 -2.860 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.831 -3.885 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.296 -4.319 -2.483 1.00 0.00 H new ATOM 907 N CYS A 64 0.309 -9.133 -0.511 1.00 0.00 N ATOM 908 CA CYS A 64 -0.811 -9.904 0.012 1.00 0.00 C ATOM 909 C CYS A 64 -0.794 -11.334 -0.519 1.00 0.00 C ATOM 910 O CYS A 64 -1.007 -11.568 -1.709 1.00 0.00 O ATOM 911 CB CYS A 64 -2.137 -9.235 -0.346 1.00 0.00 C ATOM 912 SG CYS A 64 -3.428 -9.453 0.923 1.00 0.00 S ATOM 0 H CYS A 64 0.324 -9.041 -1.527 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.710 -9.938 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.967 -8.169 -0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.496 -9.641 -1.292 1.00 0.00 H new ATOM 917 N PRO A 65 -0.545 -12.310 0.366 1.00 0.00 N ATOM 918 CA PRO A 65 -0.505 -13.726 -0.009 1.00 0.00 C ATOM 919 C PRO A 65 -1.897 -14.287 -0.283 1.00 0.00 C ATOM 920 O PRO A 65 -2.042 -15.350 -0.889 1.00 0.00 O ATOM 921 CB PRO A 65 0.110 -14.396 1.219 1.00 0.00 C ATOM 922 CG PRO A 65 -0.258 -13.507 2.357 1.00 0.00 C ATOM 923 CD PRO A 65 -0.286 -12.108 1.803 1.00 0.00 C ATOM 0 HA PRO A 65 0.056 -13.893 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.283 -15.403 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.192 -14.487 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.229 -13.783 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.467 -13.591 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.066 -11.507 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.659 -11.591 1.971 1.00 0.00 H new ATOM 931 N LYS A 66 -2.918 -13.565 0.168 1.00 0.00 N ATOM 932 CA LYS A 66 -4.301 -13.988 -0.026 1.00 0.00 C ATOM 933 C LYS A 66 -4.852 -13.457 -1.345 1.00 0.00 C ATOM 934 O LYS A 66 -4.881 -14.170 -2.349 1.00 0.00 O ATOM 935 CB LYS A 66 -5.170 -13.504 1.134 1.00 0.00 C ATOM 936 CG LYS A 66 -5.817 -14.632 1.922 1.00 0.00 C ATOM 937 CD LYS A 66 -5.211 -14.757 3.311 1.00 0.00 C ATOM 938 CE LYS A 66 -5.831 -15.907 4.087 1.00 0.00 C ATOM 939 NZ LYS A 66 -5.014 -16.282 5.273 1.00 0.00 N ATOM 0 H LYS A 66 -2.814 -12.684 0.671 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.321 -15.077 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.559 -12.904 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.950 -12.850 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.889 -14.451 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.693 -15.572 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.135 -14.911 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.358 -13.826 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.834 -15.627 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.937 -16.771 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.471 -17.070 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.065 -16.573 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.934 -15.465 5.912 1.00 0.00 H new ATOM 953 N GLY A 67 -5.288 -12.202 -1.338 1.00 0.00 N ATOM 954 CA GLY A 67 -5.832 -11.598 -2.540 1.00 0.00 C ATOM 955 C GLY A 67 -6.282 -10.167 -2.318 1.00 0.00 C ATOM 956 O GLY A 67 -5.874 -9.523 -1.352 1.00 0.00 O ATOM 0 H GLY A 67 -5.274 -11.592 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.078 -11.621 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.677 -12.191 -2.890 1.00 0.00 H new ATOM 960 N LYS A 68 -7.125 -9.668 -3.217 1.00 0.00 N ATOM 961 CA LYS A 68 -7.631 -8.303 -3.116 1.00 0.00 C ATOM 962 C LYS A 68 -8.690 -8.193 -2.024 1.00 0.00 C ATOM 963 O LYS A 68 -9.310 -9.187 -1.644 1.00 0.00 O ATOM 964 CB LYS A 68 -8.213 -7.854 -4.458 1.00 0.00 C ATOM 965 CG LYS A 68 -8.743 -6.430 -4.445 1.00 0.00 C ATOM 966 CD LYS A 68 -9.539 -6.121 -5.703 1.00 0.00 C ATOM 967 CE LYS A 68 -11.011 -6.458 -5.528 1.00 0.00 C ATOM 968 NZ LYS A 68 -11.478 -7.448 -6.538 1.00 0.00 N ATOM 0 H LYS A 68 -7.472 -10.188 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.798 -7.651 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.443 -7.939 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.020 -8.531 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.374 -6.283 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.911 -5.731 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.434 -5.065 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.132 -6.688 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.176 -6.856 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.604 -5.547 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.486 -7.651 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.345 -7.059 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.930 -8.326 -6.442 1.00 0.00 H new ATOM 982 N GLY A 69 -8.892 -6.980 -1.522 1.00 0.00 N ATOM 983 CA GLY A 69 -9.876 -6.764 -0.476 1.00 0.00 C ATOM 984 C GLY A 69 -9.867 -7.870 0.559 1.00 0.00 C ATOM 985 O GLY A 69 -10.645 -8.819 0.471 1.00 0.00 O ATOM 0 H GLY A 69 -8.392 -6.142 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.679 -5.810 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.868 -6.695 -0.922 1.00 0.00 H new ATOM 989 N PHE A 70 -8.979 -7.749 1.539 1.00 0.00 N ATOM 990 CA PHE A 70 -8.866 -8.748 2.594 1.00 0.00 C ATOM 991 C PHE A 70 -9.306 -8.181 3.939 1.00 0.00 C ATOM 992 O PHE A 70 -9.648 -8.927 4.856 1.00 0.00 O ATOM 993 CB PHE A 70 -7.427 -9.254 2.688 1.00 0.00 C ATOM 994 CG PHE A 70 -7.153 -10.059 3.926 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.464 -11.408 3.972 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.585 -9.466 5.041 1.00 0.00 C ATOM 997 CE1 PHE A 70 -7.214 -12.152 5.111 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.332 -10.204 6.182 1.00 0.00 C ATOM 999 CZ PHE A 70 -6.646 -11.549 6.216 1.00 0.00 C ATOM 0 H PHE A 70 -8.327 -6.969 1.625 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.525 -9.579 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.207 -9.864 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.748 -8.401 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.906 -11.884 3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.337 -8.415 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.463 -13.203 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.890 -9.730 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.447 -12.128 7.106 1.00 0.00 H new ATOM 1009 N VAL A 71 -9.291 -6.857 4.052 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.683 -6.195 5.289 1.00 0.00 C ATOM 1011 C VAL A 71 -11.171 -5.838 5.273 1.00 0.00 C ATOM 1012 O VAL A 71 -11.902 -6.141 6.216 1.00 0.00 O ATOM 1013 CB VAL A 71 -8.804 -4.935 5.566 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.695 -4.804 4.528 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -9.625 -3.648 5.630 1.00 0.00 C ATOM 0 H VAL A 71 -9.012 -6.223 3.303 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.515 -6.897 6.106 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.355 -5.081 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.097 -3.918 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.059 -5.688 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.135 -4.712 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.964 -2.804 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.138 -3.496 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.360 -3.725 6.431 1.00 0.00 H new ATOM 1025 N PRO A 72 -11.630 -5.184 4.199 1.00 0.00 N ATOM 1026 CA PRO A 72 -13.018 -4.771 4.039 1.00 0.00 C ATOM 1027 C PRO A 72 -13.867 -5.850 3.375 1.00 0.00 C ATOM 1028 O PRO A 72 -14.600 -6.580 4.043 1.00 0.00 O ATOM 1029 CB PRO A 72 -12.910 -3.537 3.125 1.00 0.00 C ATOM 1030 CG PRO A 72 -11.474 -3.468 2.678 1.00 0.00 C ATOM 1031 CD PRO A 72 -10.840 -4.779 3.047 1.00 0.00 C ATOM 0 HA PRO A 72 -13.503 -4.574 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.580 -3.627 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.195 -2.631 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.412 -3.298 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.958 -2.639 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.901 -5.504 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.785 -4.666 3.295 1.00 0.00 H new ATOM 1039 N ALA A 73 -13.758 -5.945 2.054 1.00 0.00 N ATOM 1040 CA ALA A 73 -14.509 -6.933 1.288 1.00 0.00 C ATOM 1041 C ALA A 73 -14.416 -6.644 -0.206 1.00 0.00 C ATOM 1042 O ALA A 73 -15.382 -6.827 -0.947 1.00 0.00 O ATOM 1043 CB ALA A 73 -15.964 -6.955 1.736 1.00 0.00 C ATOM 0 H ALA A 73 -13.154 -5.347 1.490 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.072 -7.914 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.512 -7.697 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.015 -7.212 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.408 -5.972 1.580 1.00 0.00 H new ATOM 1049 N GLY A 74 -13.245 -6.187 -0.641 1.00 0.00 N ATOM 1050 CA GLY A 74 -13.043 -5.876 -2.043 1.00 0.00 C ATOM 1051 C GLY A 74 -13.304 -4.416 -2.355 1.00 0.00 C ATOM 1052 O GLY A 74 -13.882 -4.089 -3.392 1.00 0.00 O ATOM 0 H GLY A 74 -12.432 -6.027 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.020 -6.128 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.702 -6.498 -2.649 1.00 0.00 H new ATOM 1056 N GLU A 75 -12.879 -3.535 -1.455 1.00 0.00 N ATOM 1057 CA GLU A 75 -13.070 -2.102 -1.638 1.00 0.00 C ATOM 1058 C GLU A 75 -11.838 -1.326 -1.182 1.00 0.00 C ATOM 1059 O GLU A 75 -11.916 -0.082 -1.110 1.00 0.00 O ATOM 1060 CB GLU A 75 -14.301 -1.627 -0.862 1.00 0.00 C ATOM 1061 CG GLU A 75 -14.413 -2.234 0.528 1.00 0.00 C ATOM 1062 CD GLU A 75 -15.586 -1.682 1.313 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -15.564 -0.479 1.648 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -16.529 -2.452 1.594 1.00 0.00 O ATOM 1065 OXT GLU A 75 -10.806 -1.970 -0.901 1.00 0.00 O ATOM 0 H GLU A 75 -12.400 -3.789 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.223 -1.914 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.269 -0.541 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.197 -1.874 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.516 -3.316 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.491 -2.045 1.078 1.00 0.00 H new TER 1072 GLU A 75