USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 27 TYR OH : rot 30:sc= 0.658 USER MOD Set 1.2: A 81 THR OG1 : rot 78:sc= 1.28 USER MOD Set 2.1: A 44 ASN : amide:sc= 0.635 K(o=1.4,f=-0.048) USER MOD Set 2.2: A 56 TYR OH : rot -23:sc= 0.722 USER MOD Set 3.1: A 37 THR OG1 : rot -64:sc= 0.238 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.151 X(o=0.39,f=-0.028) USER MOD Set 4.1: A 5 THR OG1 : rot -95:sc= 0.52 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.404 K(o=0.92,f=-0.66) USER MOD Set 5.1: A 4 THR OG1 : rot -63:sc= 2.34 USER MOD Set 5.2: A 103 SER OG : rot -59:sc= 0.976 USER MOD Set 6.1: A 1 PCA N :NH3+ -104:sc= 1.81 (180deg=-0.725) USER MOD Set 6.2: A 85 TYR OH : rot -15:sc=-0.00392 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 9:sc= -1.48 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 21 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.53) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.85) USER MOD Single : A 29 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.041) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -140:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 43 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.036) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.127 K(o=-0.13,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 40:sc= 0.298 USER MOD Single : A 68 THR OG1 : rot 50:sc= 0.198 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.24) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 90 THR OG1 : rot 48:sc= 1.24 USER MOD Single : A 91 HIS : no HD1:sc= -2.05 K(o=-2,f=-4.4) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 95 SER OG : rot -62:sc= 0.113 USER MOD Single : A 97 ASN : amide:sc= -0.478 X(o=-0.48,f=0.0047) USER MOD Single : A 98 ASN : amide:sc= 0.127 K(o=0.13,f=-9.7!) USER MOD Single : A 105 THR OG1 : rot 120:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.540 15.658 -8.079 1.00 0.00 N HETATM 2 CA PCA A 1 3.750 14.209 -7.914 1.00 0.00 C HETATM 3 CB PCA A 1 4.487 13.750 -9.183 1.00 0.00 C HETATM 4 CG PCA A 1 5.239 14.986 -9.684 1.00 0.00 C HETATM 5 CD PCA A 1 4.394 16.146 -9.164 1.00 0.00 C HETATM 6 OE PCA A 1 4.566 17.321 -9.480 1.00 0.00 O HETATM 7 C PCA A 1 4.458 13.898 -6.598 1.00 0.00 C HETATM 8 O PCA A 1 4.515 14.750 -5.715 1.00 0.00 O HETATM 0 H2 PCA A 1 2.543 15.888 -7.891 1.00 0.00 H new HETATM 0 HA PCA A 1 2.819 13.649 -7.827 1.00 0.00 H new HETATM 0 HB2 PCA A 1 5.175 12.933 -8.964 1.00 0.00 H new HETATM 0 HB3 PCA A 1 3.787 13.385 -9.934 1.00 0.00 H new HETATM 0 HG2 PCA A 1 6.256 15.023 -9.294 1.00 0.00 H new HETATM 0 HG3 PCA A 1 5.313 14.998 -10.771 1.00 0.00 H new ATOM 15 N SER A 2 5.005 12.683 -6.476 1.00 0.00 N ATOM 16 CA SER A 2 5.693 12.205 -5.284 1.00 0.00 C ATOM 17 C SER A 2 7.092 12.816 -5.260 1.00 0.00 C ATOM 18 O SER A 2 7.884 12.582 -6.170 1.00 0.00 O ATOM 19 CB SER A 2 5.756 10.674 -5.322 1.00 0.00 C ATOM 20 OG SER A 2 6.486 10.187 -4.218 1.00 0.00 O ATOM 0 H SER A 2 4.978 11.992 -7.226 1.00 0.00 H new ATOM 0 HA SER A 2 5.162 12.501 -4.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.747 10.261 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.224 10.345 -6.250 1.00 0.00 H new ATOM 0 HG SER A 2 6.518 9.208 -4.253 1.00 0.00 H new ATOM 26 N ALA A 3 7.371 13.590 -4.197 1.00 0.00 N ATOM 27 CA ALA A 3 8.608 14.319 -3.961 1.00 0.00 C ATOM 28 C ALA A 3 8.698 15.357 -5.077 1.00 0.00 C ATOM 29 O ALA A 3 9.276 15.075 -6.127 1.00 0.00 O ATOM 30 CB ALA A 3 9.824 13.388 -3.880 1.00 0.00 C ATOM 0 H ALA A 3 6.696 13.724 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 3 8.606 14.814 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.723 13.978 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.687 12.681 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.927 12.842 -4.818 1.00 0.00 H new ATOM 36 N THR A 4 8.138 16.556 -4.847 1.00 0.00 N ATOM 37 CA THR A 4 8.115 17.599 -5.864 1.00 0.00 C ATOM 38 C THR A 4 8.482 18.968 -5.300 1.00 0.00 C ATOM 39 O THR A 4 7.972 19.376 -4.261 1.00 0.00 O ATOM 40 CB THR A 4 6.764 17.554 -6.613 1.00 0.00 C ATOM 41 OG1 THR A 4 6.949 17.983 -7.941 1.00 0.00 O ATOM 42 CG2 THR A 4 5.628 18.376 -5.986 1.00 0.00 C ATOM 0 H THR A 4 7.698 16.819 -3.965 1.00 0.00 H new ATOM 0 HA THR A 4 8.895 17.406 -6.600 1.00 0.00 H new ATOM 0 HB THR A 4 6.445 16.513 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.241 18.918 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.728 18.273 -6.592 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.430 18.013 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.919 19.426 -5.944 1.00 0.00 H new ATOM 50 N THR A 5 9.388 19.667 -5.995 1.00 0.00 N ATOM 51 CA THR A 5 9.869 20.985 -5.657 1.00 0.00 C ATOM 52 C THR A 5 9.464 21.883 -6.821 1.00 0.00 C ATOM 53 O THR A 5 9.938 21.699 -7.942 1.00 0.00 O ATOM 54 CB THR A 5 11.386 20.889 -5.407 1.00 0.00 C ATOM 55 OG1 THR A 5 11.622 20.741 -4.023 1.00 0.00 O ATOM 56 CG2 THR A 5 12.164 22.092 -5.931 1.00 0.00 C ATOM 0 H THR A 5 9.817 19.300 -6.845 1.00 0.00 H new ATOM 0 HA THR A 5 9.448 21.407 -4.745 1.00 0.00 H new ATOM 0 HB THR A 5 11.744 20.020 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.797 21.619 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.225 21.958 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.015 22.181 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.808 22.998 -5.439 1.00 0.00 H new ATOM 64 N CYS A 6 8.572 22.844 -6.546 1.00 0.00 N ATOM 65 CA CYS A 6 8.065 23.778 -7.536 1.00 0.00 C ATOM 66 C CYS A 6 8.730 25.130 -7.279 1.00 0.00 C ATOM 67 O CYS A 6 8.211 25.961 -6.534 1.00 0.00 O ATOM 68 CB CYS A 6 6.527 23.820 -7.512 1.00 0.00 C ATOM 69 SG CYS A 6 5.660 22.233 -7.329 1.00 0.00 S ATOM 0 H CYS A 6 8.183 22.989 -5.614 1.00 0.00 H new ATOM 0 HA CYS A 6 8.317 23.463 -8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.219 24.471 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.187 24.287 -8.436 1.00 0.00 H new ATOM 74 N GLY A 7 9.896 25.334 -7.907 1.00 0.00 N ATOM 75 CA GLY A 7 10.688 26.542 -7.773 1.00 0.00 C ATOM 76 C GLY A 7 11.355 26.523 -6.401 1.00 0.00 C ATOM 77 O GLY A 7 12.196 25.664 -6.135 1.00 0.00 O ATOM 0 H GLY A 7 10.314 24.645 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.440 26.593 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.057 27.424 -7.877 1.00 0.00 H new ATOM 81 N SER A 8 10.972 27.471 -5.539 1.00 0.00 N ATOM 82 CA SER A 8 11.477 27.595 -4.177 1.00 0.00 C ATOM 83 C SER A 8 10.554 26.851 -3.207 1.00 0.00 C ATOM 84 O SER A 8 11.012 26.374 -2.170 1.00 0.00 O ATOM 85 CB SER A 8 11.602 29.078 -3.807 1.00 0.00 C ATOM 86 OG SER A 8 10.338 29.710 -3.816 1.00 0.00 O ATOM 0 H SER A 8 10.287 28.187 -5.779 1.00 0.00 H new ATOM 0 HA SER A 8 12.467 27.143 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.053 29.173 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.267 29.577 -4.511 1.00 0.00 H new ATOM 0 HG SER A 8 10.443 30.654 -3.575 1.00 0.00 H new ATOM 92 N THR A 9 9.258 26.762 -3.545 1.00 0.00 N ATOM 93 CA THR A 9 8.231 26.093 -2.764 1.00 0.00 C ATOM 94 C THR A 9 8.445 24.578 -2.862 1.00 0.00 C ATOM 95 O THR A 9 7.980 23.936 -3.803 1.00 0.00 O ATOM 96 CB THR A 9 6.853 26.544 -3.280 1.00 0.00 C ATOM 97 OG1 THR A 9 6.837 27.943 -3.487 1.00 0.00 O ATOM 98 CG2 THR A 9 5.747 26.201 -2.284 1.00 0.00 C ATOM 0 H THR A 9 8.893 27.173 -4.404 1.00 0.00 H new ATOM 0 HA THR A 9 8.286 26.358 -1.708 1.00 0.00 H new ATOM 0 HB THR A 9 6.675 26.018 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.955 28.215 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.787 26.533 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.721 25.123 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.943 26.702 -1.336 1.00 0.00 H new ATOM 106 N ASN A 10 9.151 24.016 -1.872 1.00 0.00 N ATOM 107 CA ASN A 10 9.489 22.600 -1.799 1.00 0.00 C ATOM 108 C ASN A 10 8.431 21.784 -1.061 1.00 0.00 C ATOM 109 O ASN A 10 7.792 22.290 -0.140 1.00 0.00 O ATOM 110 CB ASN A 10 10.847 22.437 -1.102 1.00 0.00 C ATOM 111 CG ASN A 10 11.948 23.289 -1.737 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.978 23.474 -2.952 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.851 23.813 -0.905 1.00 0.00 N ATOM 0 H ASN A 10 9.509 24.553 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 10 9.535 22.220 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.745 22.708 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.142 21.388 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.605 24.394 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.787 23.633 0.097 1.00 0.00 H new ATOM 120 N TYR A 11 8.250 20.522 -1.484 1.00 0.00 N ATOM 121 CA TYR A 11 7.307 19.589 -0.880 1.00 0.00 C ATOM 122 C TYR A 11 7.828 18.152 -0.815 1.00 0.00 C ATOM 123 O TYR A 11 8.285 17.593 -1.816 1.00 0.00 O ATOM 124 CB TYR A 11 6.000 19.529 -1.671 1.00 0.00 C ATOM 125 CG TYR A 11 5.329 20.838 -1.986 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.787 21.606 -0.943 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.232 21.279 -3.319 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.150 22.819 -1.236 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.589 22.489 -3.608 1.00 0.00 C ATOM 130 CZ TYR A 11 4.042 23.249 -2.565 1.00 0.00 C ATOM 131 OH TYR A 11 3.408 24.414 -2.841 1.00 0.00 O ATOM 0 H TYR A 11 8.767 20.123 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 11 7.157 19.973 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.197 19.015 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.295 18.913 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.861 21.264 0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.653 20.686 -4.117 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.743 23.422 -0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.515 22.835 -4.629 1.00 0.00 H new ATOM 0 HH TYR A 11 3.216 24.888 -2.005 1.00 0.00 H new ATOM 141 N SER A 12 7.729 17.576 0.390 1.00 0.00 N ATOM 142 CA SER A 12 8.093 16.208 0.729 1.00 0.00 C ATOM 143 C SER A 12 7.044 15.300 0.125 1.00 0.00 C ATOM 144 O SER A 12 5.921 15.737 -0.109 1.00 0.00 O ATOM 145 CB SER A 12 8.128 16.075 2.257 1.00 0.00 C ATOM 146 OG SER A 12 8.552 14.786 2.640 1.00 0.00 O ATOM 0 H SER A 12 7.371 18.088 1.196 1.00 0.00 H new ATOM 0 HA SER A 12 9.075 15.938 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.801 16.823 2.676 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.137 16.273 2.666 1.00 0.00 H new ATOM 0 HG SER A 12 8.569 14.724 3.618 1.00 0.00 H new ATOM 152 N ALA A 13 7.398 14.037 -0.145 1.00 0.00 N ATOM 153 CA ALA A 13 6.420 13.099 -0.673 1.00 0.00 C ATOM 154 C ALA A 13 5.251 12.990 0.316 1.00 0.00 C ATOM 155 O ALA A 13 4.170 12.525 -0.041 1.00 0.00 O ATOM 156 CB ALA A 13 7.062 11.736 -0.937 1.00 0.00 C ATOM 0 H ALA A 13 8.334 13.655 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 13 6.041 13.462 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.312 11.051 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.868 11.848 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.464 11.337 -0.006 1.00 0.00 H new ATOM 162 N SER A 14 5.474 13.443 1.559 1.00 0.00 N ATOM 163 CA SER A 14 4.457 13.423 2.595 1.00 0.00 C ATOM 164 C SER A 14 3.449 14.554 2.350 1.00 0.00 C ATOM 165 O SER A 14 2.261 14.377 2.607 1.00 0.00 O ATOM 166 CB SER A 14 5.119 13.569 3.968 1.00 0.00 C ATOM 167 OG SER A 14 5.957 12.463 4.223 1.00 0.00 O ATOM 0 H SER A 14 6.367 13.831 1.864 1.00 0.00 H new ATOM 0 HA SER A 14 3.923 12.473 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.700 14.491 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.355 13.643 4.742 1.00 0.00 H new ATOM 0 HG SER A 14 6.377 12.567 5.102 1.00 0.00 H new ATOM 173 N GLN A 15 3.920 15.704 1.841 1.00 0.00 N ATOM 174 CA GLN A 15 3.113 16.885 1.574 1.00 0.00 C ATOM 175 C GLN A 15 2.210 16.742 0.367 1.00 0.00 C ATOM 176 O GLN A 15 1.007 16.983 0.448 1.00 0.00 O ATOM 177 CB GLN A 15 3.978 18.155 1.472 1.00 0.00 C ATOM 178 CG GLN A 15 3.881 19.031 2.727 1.00 0.00 C ATOM 179 CD GLN A 15 4.719 18.517 3.898 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.751 17.320 4.176 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.399 19.431 4.597 1.00 0.00 N ATOM 0 H GLN A 15 4.903 15.832 1.600 1.00 0.00 H new ATOM 0 HA GLN A 15 2.454 16.988 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.018 17.871 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.667 18.734 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.200 20.043 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.838 19.093 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.347 20.415 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.970 19.144 5.392 1.00 0.00 H new ATOM 190 N VAL A 16 2.802 16.346 -0.750 1.00 0.00 N ATOM 191 CA VAL A 16 2.204 16.154 -2.008 1.00 0.00 C ATOM 192 C VAL A 16 1.128 15.072 -1.895 1.00 0.00 C ATOM 193 O VAL A 16 0.047 15.224 -2.461 1.00 0.00 O ATOM 194 CB VAL A 16 3.397 15.817 -2.873 1.00 0.00 C ATOM 195 CG1 VAL A 16 4.535 16.838 -2.870 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.875 14.389 -2.795 1.00 0.00 C ATOM 0 H VAL A 16 3.801 16.140 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 16 1.660 16.999 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 16 2.964 15.907 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.336 16.492 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.163 17.798 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.919 16.952 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.733 14.256 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.165 14.158 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.073 13.719 -3.105 1.00 0.00 H new ATOM 206 N ARG A 17 1.423 13.992 -1.150 1.00 0.00 N ATOM 207 CA ARG A 17 0.508 12.889 -0.927 1.00 0.00 C ATOM 208 C ARG A 17 -0.647 13.290 -0.012 1.00 0.00 C ATOM 209 O ARG A 17 -1.795 12.970 -0.315 1.00 0.00 O ATOM 210 CB ARG A 17 1.295 11.736 -0.294 1.00 0.00 C ATOM 211 CG ARG A 17 0.447 10.493 0.001 1.00 0.00 C ATOM 212 CD ARG A 17 1.226 9.512 0.881 1.00 0.00 C ATOM 213 NE ARG A 17 1.366 10.040 2.246 1.00 0.00 N ATOM 214 CZ ARG A 17 1.764 9.329 3.312 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.080 8.030 3.198 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.841 9.927 4.509 1.00 0.00 N ATOM 0 H ARG A 17 2.322 13.872 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 17 0.077 12.588 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.111 11.457 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.747 12.084 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.477 10.785 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.164 10.008 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.711 8.552 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.212 9.334 0.451 1.00 0.00 H new ATOM 0 HE ARG A 17 1.143 11.024 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.019 7.568 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.381 7.504 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.598 10.913 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.142 9.396 5.326 1.00 0.00 H new ATOM 230 N ALA A 18 -0.363 13.999 1.089 1.00 0.00 N ATOM 231 CA ALA A 18 -1.391 14.373 2.050 1.00 0.00 C ATOM 232 C ALA A 18 -2.412 15.331 1.452 1.00 0.00 C ATOM 233 O ALA A 18 -3.617 15.064 1.471 1.00 0.00 O ATOM 234 CB ALA A 18 -0.737 14.973 3.298 1.00 0.00 C ATOM 0 H ALA A 18 0.574 14.322 1.330 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.936 13.472 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.509 15.252 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.071 14.237 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.164 15.858 3.019 1.00 0.00 H new ATOM 240 N ALA A 19 -1.913 16.442 0.906 1.00 0.00 N ATOM 241 CA ALA A 19 -2.754 17.471 0.327 1.00 0.00 C ATOM 242 C ALA A 19 -3.548 16.911 -0.856 1.00 0.00 C ATOM 243 O ALA A 19 -4.712 17.266 -1.028 1.00 0.00 O ATOM 244 CB ALA A 19 -1.923 18.708 -0.025 1.00 0.00 C ATOM 0 H ALA A 19 -0.915 16.646 0.857 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.490 17.797 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.571 19.470 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.454 19.100 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.151 18.435 -0.745 1.00 0.00 H new ATOM 250 N ALA A 20 -2.942 16.026 -1.663 1.00 0.00 N ATOM 251 CA ALA A 20 -3.649 15.443 -2.799 1.00 0.00 C ATOM 252 C ALA A 20 -4.721 14.452 -2.371 1.00 0.00 C ATOM 253 O ALA A 20 -5.796 14.434 -2.968 1.00 0.00 O ATOM 254 CB ALA A 20 -2.687 14.843 -3.825 1.00 0.00 C ATOM 0 H ALA A 20 -1.980 15.707 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.169 16.263 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.256 14.420 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.023 15.622 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.095 14.058 -3.354 1.00 0.00 H new ATOM 260 N ASN A 21 -4.443 13.621 -1.360 1.00 0.00 N ATOM 261 CA ASN A 21 -5.443 12.688 -0.872 1.00 0.00 C ATOM 262 C ASN A 21 -6.593 13.488 -0.246 1.00 0.00 C ATOM 263 O ASN A 21 -7.696 12.958 -0.120 1.00 0.00 O ATOM 264 CB ASN A 21 -4.839 11.712 0.148 1.00 0.00 C ATOM 265 CG ASN A 21 -4.066 10.570 -0.510 1.00 0.00 C ATOM 266 OD1 ASN A 21 -2.873 10.403 -0.269 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.746 9.770 -1.335 1.00 0.00 N ATOM 0 H ASN A 21 -3.546 13.581 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.819 12.091 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.173 12.258 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.637 11.297 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.275 8.988 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.736 9.941 -1.510 1.00 0.00 H new ATOM 274 N ALA A 22 -6.351 14.760 0.125 1.00 0.00 N ATOM 275 CA ALA A 22 -7.384 15.587 0.740 1.00 0.00 C ATOM 276 C ALA A 22 -8.299 16.043 -0.390 1.00 0.00 C ATOM 277 O ALA A 22 -9.513 15.857 -0.324 1.00 0.00 O ATOM 278 CB ALA A 22 -6.774 16.754 1.516 1.00 0.00 C ATOM 0 H ALA A 22 -5.452 15.227 0.007 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.956 15.027 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.570 17.350 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.126 16.368 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.191 17.377 0.838 1.00 0.00 H new ATOM 284 N ALA A 23 -7.691 16.651 -1.417 1.00 0.00 N ATOM 285 CA ALA A 23 -8.353 17.124 -2.624 1.00 0.00 C ATOM 286 C ALA A 23 -9.291 16.055 -3.182 1.00 0.00 C ATOM 287 O ALA A 23 -10.460 16.336 -3.438 1.00 0.00 O ATOM 288 CB ALA A 23 -7.287 17.445 -3.667 1.00 0.00 C ATOM 0 H ALA A 23 -6.687 16.830 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.940 18.010 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.766 17.801 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.621 18.217 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.711 16.546 -3.887 1.00 0.00 H new ATOM 294 N CYS A 24 -8.764 14.834 -3.358 1.00 0.00 N ATOM 295 CA CYS A 24 -9.515 13.695 -3.859 1.00 0.00 C ATOM 296 C CYS A 24 -10.722 13.412 -2.964 1.00 0.00 C ATOM 297 O CYS A 24 -11.815 13.223 -3.490 1.00 0.00 O ATOM 298 CB CYS A 24 -8.608 12.464 -4.009 1.00 0.00 C ATOM 299 SG CYS A 24 -9.500 10.891 -4.191 1.00 0.00 S ATOM 0 H CYS A 24 -7.789 14.617 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.894 13.937 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.965 12.605 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.957 12.399 -3.137 1.00 0.00 H new ATOM 304 N GLN A 25 -10.548 13.397 -1.632 1.00 0.00 N ATOM 305 CA GLN A 25 -11.620 13.123 -0.683 1.00 0.00 C ATOM 306 C GLN A 25 -12.787 14.101 -0.860 1.00 0.00 C ATOM 307 O GLN A 25 -13.943 13.699 -0.752 1.00 0.00 O ATOM 308 CB GLN A 25 -11.069 13.198 0.755 1.00 0.00 C ATOM 309 CG GLN A 25 -11.901 12.382 1.752 1.00 0.00 C ATOM 310 CD GLN A 25 -11.631 10.877 1.686 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.923 10.396 0.803 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.192 10.123 2.636 1.00 0.00 N ATOM 0 H GLN A 25 -9.648 13.577 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.000 12.119 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.041 12.836 0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.044 14.239 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.693 12.736 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.959 12.562 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.774 10.556 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.038 9.115 2.644 1.00 0.00 H new ATOM 321 N TYR A 26 -12.478 15.372 -1.147 1.00 0.00 N ATOM 322 CA TYR A 26 -13.457 16.443 -1.321 1.00 0.00 C ATOM 323 C TYR A 26 -13.977 16.609 -2.753 1.00 0.00 C ATOM 324 O TYR A 26 -14.926 17.363 -2.960 1.00 0.00 O ATOM 325 CB TYR A 26 -12.846 17.756 -0.821 1.00 0.00 C ATOM 326 CG TYR A 26 -12.343 17.705 0.613 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.182 17.225 1.637 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.043 18.142 0.930 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.720 17.159 2.963 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.581 18.081 2.256 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.415 17.580 3.272 1.00 0.00 C ATOM 332 OH TYR A 26 -10.962 17.511 4.557 1.00 0.00 O ATOM 0 H TYR A 26 -11.516 15.688 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.332 16.164 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.018 18.030 -1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.593 18.546 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.187 16.906 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.399 18.525 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.367 16.785 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.584 18.419 2.495 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.040 17.840 4.597 1.00 0.00 H new ATOM 342 N TYR A 27 -13.384 15.919 -3.738 1.00 0.00 N ATOM 343 CA TYR A 27 -13.791 16.020 -5.136 1.00 0.00 C ATOM 344 C TYR A 27 -15.195 15.453 -5.373 1.00 0.00 C ATOM 345 O TYR A 27 -15.874 15.902 -6.297 1.00 0.00 O ATOM 346 CB TYR A 27 -12.750 15.336 -6.038 1.00 0.00 C ATOM 347 CG TYR A 27 -13.071 15.389 -7.523 1.00 0.00 C ATOM 348 CD1 TYR A 27 -12.679 16.490 -8.311 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.779 14.329 -8.122 1.00 0.00 C ATOM 350 CE1 TYR A 27 -12.989 16.520 -9.677 1.00 0.00 C ATOM 351 CE2 TYR A 27 -14.096 14.371 -9.491 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.698 15.469 -10.271 1.00 0.00 C ATOM 353 OH TYR A 27 -14.002 15.529 -11.601 1.00 0.00 O ATOM 0 H TYR A 27 -12.608 15.276 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.838 17.078 -5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.780 15.805 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.656 14.293 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.140 17.311 -7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -14.080 13.480 -7.527 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.678 17.362 -10.278 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.646 13.559 -9.943 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.313 16.043 -12.071 1.00 0.00 H new ATOM 363 N GLN A 28 -15.645 14.490 -4.552 1.00 0.00 N ATOM 364 CA GLN A 28 -16.946 13.867 -4.708 1.00 0.00 C ATOM 365 C GLN A 28 -18.000 14.790 -4.101 1.00 0.00 C ATOM 366 O GLN A 28 -18.716 15.465 -4.838 1.00 0.00 O ATOM 367 CB GLN A 28 -16.966 12.464 -4.074 1.00 0.00 C ATOM 368 CG GLN A 28 -16.010 11.473 -4.762 1.00 0.00 C ATOM 369 CD GLN A 28 -14.548 11.704 -4.389 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.249 11.993 -3.233 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.635 11.579 -5.357 1.00 0.00 N ATOM 0 H GLN A 28 -15.107 14.129 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.169 13.725 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.698 12.545 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.981 12.068 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.293 10.456 -4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.122 11.558 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.926 11.338 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.647 11.725 -5.148 1.00 0.00 H new ATOM 380 N ASN A 29 -18.066 14.813 -2.762 1.00 0.00 N ATOM 381 CA ASN A 29 -18.998 15.591 -1.946 1.00 0.00 C ATOM 382 C ASN A 29 -18.870 15.178 -0.474 1.00 0.00 C ATOM 383 O ASN A 29 -19.786 14.586 0.094 1.00 0.00 O ATOM 384 CB ASN A 29 -20.460 15.503 -2.443 1.00 0.00 C ATOM 385 CG ASN A 29 -20.968 14.077 -2.695 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.494 13.430 -1.793 1.00 0.00 O ATOM 387 ND2 ASN A 29 -20.828 13.587 -3.930 1.00 0.00 N ATOM 0 H ASN A 29 -17.432 14.255 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.723 16.641 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -21.108 15.980 -1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.550 16.075 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.163 12.648 -4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.386 14.152 -4.656 1.00 0.00 H new ATOM 394 N ASP A 30 -17.730 15.504 0.152 1.00 0.00 N ATOM 395 CA ASP A 30 -17.446 15.183 1.549 1.00 0.00 C ATOM 396 C ASP A 30 -17.268 16.480 2.344 1.00 0.00 C ATOM 397 O ASP A 30 -16.218 16.708 2.940 1.00 0.00 O ATOM 398 CB ASP A 30 -16.218 14.266 1.629 1.00 0.00 C ATOM 399 CG ASP A 30 -16.491 12.890 1.016 1.00 0.00 C ATOM 400 OD1 ASP A 30 -16.653 12.831 -0.222 1.00 0.00 O ATOM 401 OD2 ASP A 30 -16.538 11.917 1.798 1.00 0.00 O ATOM 0 H ASP A 30 -16.971 16.006 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.281 14.641 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.381 14.734 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.922 14.147 2.671 1.00 0.00 H new ATOM 406 N ASP A 31 -18.318 17.316 2.331 1.00 0.00 N ATOM 407 CA ASP A 31 -18.445 18.607 3.004 1.00 0.00 C ATOM 408 C ASP A 31 -17.431 19.663 2.547 1.00 0.00 C ATOM 409 O ASP A 31 -16.407 19.350 1.937 1.00 0.00 O ATOM 410 CB ASP A 31 -18.537 18.461 4.534 1.00 0.00 C ATOM 411 CG ASP A 31 -17.196 18.263 5.240 1.00 0.00 C ATOM 412 OD1 ASP A 31 -16.439 19.255 5.323 1.00 0.00 O ATOM 413 OD2 ASP A 31 -16.953 17.124 5.696 1.00 0.00 O ATOM 0 H ASP A 31 -19.162 17.084 1.808 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.403 19.010 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.019 19.350 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.183 17.614 4.766 1.00 0.00 H new ATOM 418 N THR A 32 -17.737 20.928 2.862 1.00 0.00 N ATOM 419 CA THR A 32 -16.921 22.084 2.516 1.00 0.00 C ATOM 420 C THR A 32 -15.880 22.344 3.612 1.00 0.00 C ATOM 421 O THR A 32 -16.021 23.257 4.424 1.00 0.00 O ATOM 422 CB THR A 32 -17.795 23.296 2.155 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.994 24.447 1.992 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.898 23.562 3.176 1.00 0.00 C ATOM 0 H THR A 32 -18.582 21.175 3.378 1.00 0.00 H new ATOM 0 HA THR A 32 -16.352 21.876 1.610 1.00 0.00 H new ATOM 0 HB THR A 32 -18.289 23.056 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.562 25.211 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.480 24.430 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.551 22.692 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.452 23.755 4.152 1.00 0.00 H new ATOM 432 N ALA A 33 -14.820 21.526 3.622 1.00 0.00 N ATOM 433 CA ALA A 33 -13.722 21.618 4.572 1.00 0.00 C ATOM 434 C ALA A 33 -12.821 22.809 4.230 1.00 0.00 C ATOM 435 O ALA A 33 -12.002 22.730 3.313 1.00 0.00 O ATOM 436 CB ALA A 33 -12.935 20.309 4.548 1.00 0.00 C ATOM 0 H ALA A 33 -14.706 20.766 2.951 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.114 21.779 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.109 20.368 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.592 19.484 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.541 20.140 3.546 1.00 0.00 H new ATOM 442 N GLY A 34 -12.968 23.908 4.981 1.00 0.00 N ATOM 443 CA GLY A 34 -12.205 25.132 4.776 1.00 0.00 C ATOM 444 C GLY A 34 -12.735 25.839 3.530 1.00 0.00 C ATOM 445 O GLY A 34 -13.878 26.296 3.532 1.00 0.00 O ATOM 0 H GLY A 34 -13.629 23.966 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.294 25.783 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.146 24.902 4.658 1.00 0.00 H new ATOM 449 N SER A 35 -11.909 25.935 2.479 1.00 0.00 N ATOM 450 CA SER A 35 -12.281 26.552 1.212 1.00 0.00 C ATOM 451 C SER A 35 -13.177 25.525 0.517 1.00 0.00 C ATOM 452 O SER A 35 -14.375 25.505 0.788 1.00 0.00 O ATOM 453 CB SER A 35 -11.016 26.935 0.433 1.00 0.00 C ATOM 454 OG SER A 35 -11.353 27.456 -0.834 1.00 0.00 O ATOM 0 H SER A 35 -10.953 25.580 2.492 1.00 0.00 H new ATOM 0 HA SER A 35 -12.829 27.489 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.445 27.673 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.376 26.060 0.314 1.00 0.00 H new ATOM 0 HG SER A 35 -10.535 27.697 -1.317 1.00 0.00 H new ATOM 460 N SER A 36 -12.622 24.695 -0.378 1.00 0.00 N ATOM 461 CA SER A 36 -13.326 23.620 -1.074 1.00 0.00 C ATOM 462 C SER A 36 -13.990 24.072 -2.364 1.00 0.00 C ATOM 463 O SER A 36 -14.933 23.431 -2.827 1.00 0.00 O ATOM 464 CB SER A 36 -14.276 22.801 -0.182 1.00 0.00 C ATOM 465 OG SER A 36 -13.632 22.411 1.009 1.00 0.00 O ATOM 0 H SER A 36 -11.639 24.760 -0.642 1.00 0.00 H new ATOM 0 HA SER A 36 -12.534 22.927 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.160 23.393 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.618 21.918 -0.722 1.00 0.00 H new ATOM 0 HG SER A 36 -13.890 21.493 1.235 1.00 0.00 H new ATOM 471 N THR A 37 -13.497 25.168 -2.951 1.00 0.00 N ATOM 472 CA THR A 37 -14.015 25.648 -4.219 1.00 0.00 C ATOM 473 C THR A 37 -13.341 24.720 -5.232 1.00 0.00 C ATOM 474 O THR A 37 -13.968 24.305 -6.201 1.00 0.00 O ATOM 475 CB THR A 37 -13.725 27.143 -4.430 1.00 0.00 C ATOM 476 OG1 THR A 37 -14.287 27.556 -5.658 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.238 27.511 -4.430 1.00 0.00 C ATOM 0 H THR A 37 -12.742 25.732 -2.562 1.00 0.00 H new ATOM 0 HA THR A 37 -15.101 25.609 -4.301 1.00 0.00 H new ATOM 0 HB THR A 37 -14.172 27.655 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.848 27.082 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.129 28.584 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.795 27.236 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.731 26.975 -5.232 1.00 0.00 H new ATOM 485 N TYR A 38 -12.062 24.388 -4.984 1.00 0.00 N ATOM 486 CA TYR A 38 -11.270 23.486 -5.799 1.00 0.00 C ATOM 487 C TYR A 38 -11.501 22.082 -5.242 1.00 0.00 C ATOM 488 O TYR A 38 -11.786 21.927 -4.055 1.00 0.00 O ATOM 489 CB TYR A 38 -9.785 23.878 -5.741 1.00 0.00 C ATOM 490 CG TYR A 38 -9.537 25.336 -6.059 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.129 25.942 -7.181 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.720 26.099 -5.217 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.901 27.301 -7.454 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.502 27.459 -5.472 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.096 28.067 -6.591 1.00 0.00 C ATOM 496 OH TYR A 38 -8.884 29.389 -6.848 1.00 0.00 O ATOM 0 H TYR A 38 -11.547 24.757 -4.185 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.563 23.532 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.398 23.660 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.226 23.260 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.761 25.361 -7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.253 25.634 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.344 27.758 -8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.878 28.040 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.306 29.769 -6.153 1.00 0.00 H new ATOM 506 N PRO A 39 -11.387 21.053 -6.087 1.00 0.00 N ATOM 507 CA PRO A 39 -11.055 21.131 -7.501 1.00 0.00 C ATOM 508 C PRO A 39 -12.081 21.816 -8.416 1.00 0.00 C ATOM 509 O PRO A 39 -13.289 21.684 -8.223 1.00 0.00 O ATOM 510 CB PRO A 39 -10.752 19.685 -7.906 1.00 0.00 C ATOM 511 CG PRO A 39 -10.508 18.979 -6.568 1.00 0.00 C ATOM 512 CD PRO A 39 -11.548 19.669 -5.699 1.00 0.00 C ATOM 0 HA PRO A 39 -10.206 21.801 -7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.585 19.238 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.879 19.625 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.668 17.903 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.493 19.129 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.555 19.303 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.358 19.518 -4.636 1.00 0.00 H new ATOM 520 N HIS A 40 -11.550 22.561 -9.401 1.00 0.00 N ATOM 521 CA HIS A 40 -12.255 23.343 -10.416 1.00 0.00 C ATOM 522 C HIS A 40 -11.989 22.751 -11.791 1.00 0.00 C ATOM 523 O HIS A 40 -10.897 22.235 -12.020 1.00 0.00 O ATOM 524 CB HIS A 40 -11.691 24.777 -10.461 1.00 0.00 C ATOM 525 CG HIS A 40 -12.563 25.830 -9.836 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.410 27.181 -10.113 1.00 0.00 N ATOM 527 CD2 HIS A 40 -13.611 25.755 -8.955 1.00 0.00 C ATOM 528 CE1 HIS A 40 -13.347 27.839 -9.405 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.107 27.024 -8.671 1.00 0.00 N ATOM 0 H HIS A 40 -10.539 22.634 -9.511 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.316 23.337 -10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.723 24.785 -9.959 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.513 25.047 -11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.998 24.837 -8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.470 28.912 -9.429 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.874 27.273 -8.046 1.00 0.00 H new ATOM 537 N THR A 41 -12.974 22.845 -12.700 1.00 0.00 N ATOM 538 CA THR A 41 -12.823 22.345 -14.057 1.00 0.00 C ATOM 539 C THR A 41 -11.592 23.041 -14.634 1.00 0.00 C ATOM 540 O THR A 41 -11.525 24.271 -14.648 1.00 0.00 O ATOM 541 CB THR A 41 -14.115 22.504 -14.883 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.323 21.331 -15.643 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.087 23.686 -15.855 1.00 0.00 C ATOM 0 H THR A 41 -13.883 23.266 -12.508 1.00 0.00 H new ATOM 0 HA THR A 41 -12.661 21.267 -14.081 1.00 0.00 H new ATOM 0 HB THR A 41 -14.915 22.685 -14.165 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.144 21.424 -16.170 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.030 23.732 -16.399 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.944 24.612 -15.298 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.267 23.557 -16.561 1.00 0.00 H new ATOM 551 N TYR A 42 -10.613 22.257 -15.093 1.00 0.00 N ATOM 552 CA TYR A 42 -9.385 22.822 -15.620 1.00 0.00 C ATOM 553 C TYR A 42 -9.570 23.211 -17.084 1.00 0.00 C ATOM 554 O TYR A 42 -9.862 22.359 -17.921 1.00 0.00 O ATOM 555 CB TYR A 42 -8.229 21.840 -15.397 1.00 0.00 C ATOM 556 CG TYR A 42 -6.816 22.359 -15.619 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.532 23.723 -15.841 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.755 21.438 -15.587 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.209 24.151 -16.029 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.431 21.868 -15.777 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.157 23.225 -15.997 1.00 0.00 C ATOM 562 OH TYR A 42 -2.872 23.645 -16.170 1.00 0.00 O ATOM 0 H TYR A 42 -10.653 21.238 -15.107 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.132 23.739 -15.087 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.295 21.469 -14.374 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.381 20.985 -16.056 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.338 24.442 -15.866 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.959 20.391 -15.415 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.001 25.197 -16.199 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.623 21.152 -15.754 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.267 22.876 -16.118 1.00 0.00 H new ATOM 572 N ASN A 43 -9.406 24.508 -17.372 1.00 0.00 N ATOM 573 CA ASN A 43 -9.514 25.095 -18.699 1.00 0.00 C ATOM 574 C ASN A 43 -8.509 24.462 -19.662 1.00 0.00 C ATOM 575 O ASN A 43 -7.515 23.872 -19.236 1.00 0.00 O ATOM 576 CB ASN A 43 -9.269 26.606 -18.600 1.00 0.00 C ATOM 577 CG ASN A 43 -10.282 27.301 -17.692 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.926 27.791 -16.623 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.548 27.346 -18.116 1.00 0.00 N ATOM 0 H ASN A 43 -9.186 25.198 -16.654 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.515 24.907 -19.088 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.263 26.784 -18.221 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.317 27.045 -19.596 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.261 27.800 -17.545 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.801 26.927 -19.011 1.00 0.00 H new ATOM 586 N ASN A 44 -8.776 24.598 -20.967 1.00 0.00 N ATOM 587 CA ASN A 44 -7.946 24.048 -22.031 1.00 0.00 C ATOM 588 C ASN A 44 -7.730 25.099 -23.121 1.00 0.00 C ATOM 589 O ASN A 44 -8.106 24.893 -24.274 1.00 0.00 O ATOM 590 CB ASN A 44 -8.587 22.765 -22.581 1.00 0.00 C ATOM 591 CG ASN A 44 -8.673 21.671 -21.517 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.730 20.905 -21.338 1.00 0.00 O ATOM 593 ND2 ASN A 44 -9.806 21.593 -20.813 1.00 0.00 N ATOM 0 H ASN A 44 -9.591 25.104 -21.313 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.965 23.782 -21.636 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.587 22.989 -22.953 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.005 22.403 -23.428 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.912 20.877 -20.095 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.565 22.250 -20.994 1.00 0.00 H new ATOM 600 N TYR A 45 -7.128 26.232 -22.741 1.00 0.00 N ATOM 601 CA TYR A 45 -6.819 27.331 -23.649 1.00 0.00 C ATOM 602 C TYR A 45 -5.637 28.172 -23.154 1.00 0.00 C ATOM 603 O TYR A 45 -5.002 28.850 -23.963 1.00 0.00 O ATOM 604 CB TYR A 45 -8.058 28.188 -23.944 1.00 0.00 C ATOM 605 CG TYR A 45 -8.625 28.985 -22.784 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.065 30.231 -22.440 1.00 0.00 C ATOM 607 CD2 TYR A 45 -9.721 28.489 -22.055 1.00 0.00 C ATOM 608 CE1 TYR A 45 -8.597 30.975 -21.374 1.00 0.00 C ATOM 609 CE2 TYR A 45 -10.255 29.235 -20.989 1.00 0.00 C ATOM 610 CZ TYR A 45 -9.693 30.478 -20.647 1.00 0.00 C ATOM 611 OH TYR A 45 -10.214 31.205 -19.615 1.00 0.00 O ATOM 0 H TYR A 45 -6.840 26.409 -21.779 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.508 26.887 -24.595 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.808 28.883 -24.745 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.843 27.533 -24.323 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.224 30.615 -22.998 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.153 27.534 -22.314 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.164 31.929 -21.113 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.098 28.853 -20.432 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.968 30.719 -19.220 1.00 0.00 H new ATOM 621 N GLU A 46 -5.338 28.141 -21.846 1.00 0.00 N ATOM 622 CA GLU A 46 -4.231 28.887 -21.265 1.00 0.00 C ATOM 623 C GLU A 46 -2.885 28.422 -21.832 1.00 0.00 C ATOM 624 O GLU A 46 -2.061 29.256 -22.208 1.00 0.00 O ATOM 625 CB GLU A 46 -4.283 28.822 -19.729 1.00 0.00 C ATOM 626 CG GLU A 46 -4.007 27.430 -19.138 1.00 0.00 C ATOM 627 CD GLU A 46 -4.132 27.427 -17.617 1.00 0.00 C ATOM 628 OE1 GLU A 46 -5.241 27.742 -17.135 1.00 0.00 O ATOM 629 OE2 GLU A 46 -3.117 27.102 -16.960 1.00 0.00 O ATOM 0 H GLU A 46 -5.865 27.593 -21.166 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.334 29.935 -21.545 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.555 29.525 -19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.267 29.155 -19.397 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.707 26.710 -19.562 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.005 27.107 -19.421 1.00 0.00 H new ATOM 636 N GLY A 47 -2.671 27.102 -21.901 1.00 0.00 N ATOM 637 CA GLY A 47 -1.446 26.505 -22.404 1.00 0.00 C ATOM 638 C GLY A 47 -1.182 25.164 -21.728 1.00 0.00 C ATOM 639 O GLY A 47 -1.146 24.130 -22.394 1.00 0.00 O ATOM 0 H GLY A 47 -3.362 26.414 -21.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.520 26.366 -23.483 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.608 27.179 -22.226 1.00 0.00 H new ATOM 643 N PHE A 48 -1.000 25.185 -20.399 1.00 0.00 N ATOM 644 CA PHE A 48 -0.716 24.000 -19.601 1.00 0.00 C ATOM 645 C PHE A 48 -1.876 23.008 -19.568 1.00 0.00 C ATOM 646 O PHE A 48 -3.045 23.388 -19.621 1.00 0.00 O ATOM 647 CB PHE A 48 -0.298 24.397 -18.177 1.00 0.00 C ATOM 648 CG PHE A 48 1.199 24.383 -17.971 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.990 25.452 -18.433 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.804 23.288 -17.324 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.382 25.423 -18.249 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.196 23.263 -17.138 1.00 0.00 C ATOM 653 CZ PHE A 48 3.985 24.329 -17.603 1.00 0.00 C ATOM 0 H PHE A 48 -1.048 26.042 -19.848 1.00 0.00 H new ATOM 0 HA PHE A 48 0.113 23.487 -20.088 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.679 25.394 -17.958 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.763 23.715 -17.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.527 26.293 -18.928 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.197 22.467 -16.971 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.990 26.242 -18.604 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.660 22.425 -16.638 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.056 24.308 -17.464 1.00 0.00 H new ATOM 663 N ASP A 49 -1.511 21.723 -19.469 1.00 0.00 N ATOM 664 CA ASP A 49 -2.407 20.580 -19.418 1.00 0.00 C ATOM 665 C ASP A 49 -1.623 19.344 -18.965 1.00 0.00 C ATOM 666 O ASP A 49 -0.427 19.432 -18.680 1.00 0.00 O ATOM 667 CB ASP A 49 -3.057 20.357 -20.795 1.00 0.00 C ATOM 668 CG ASP A 49 -2.027 20.026 -21.877 1.00 0.00 C ATOM 669 OD1 ASP A 49 -1.507 20.988 -22.483 1.00 0.00 O ATOM 670 OD2 ASP A 49 -1.779 18.816 -22.077 1.00 0.00 O ATOM 0 H ASP A 49 -0.530 21.448 -19.420 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.206 20.767 -18.700 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.781 19.545 -20.725 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.608 21.252 -21.083 1.00 0.00 H new ATOM 675 N PHE A 50 -2.305 18.194 -18.897 1.00 0.00 N ATOM 676 CA PHE A 50 -1.735 16.913 -18.502 1.00 0.00 C ATOM 677 C PHE A 50 -2.421 15.804 -19.309 1.00 0.00 C ATOM 678 O PHE A 50 -3.637 15.653 -19.193 1.00 0.00 O ATOM 679 CB PHE A 50 -1.962 16.657 -17.009 1.00 0.00 C ATOM 680 CG PHE A 50 -1.249 17.605 -16.066 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.078 17.350 -15.670 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.919 18.740 -15.571 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.727 18.227 -14.785 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.268 19.617 -14.686 1.00 0.00 C ATOM 685 CZ PHE A 50 0.051 19.353 -14.284 1.00 0.00 C ATOM 0 H PHE A 50 -3.298 18.134 -19.123 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.662 16.925 -18.695 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.032 16.710 -16.808 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.645 15.639 -16.781 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.597 16.481 -16.046 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.937 18.938 -15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.748 18.036 -14.489 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.782 20.492 -14.316 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.546 20.015 -13.590 1.00 0.00 H new ATOM 695 N PRO A 51 -1.684 15.035 -20.131 1.00 0.00 N ATOM 696 CA PRO A 51 -2.246 13.947 -20.917 1.00 0.00 C ATOM 697 C PRO A 51 -2.491 12.717 -20.032 1.00 0.00 C ATOM 698 O PRO A 51 -1.644 11.827 -19.954 1.00 0.00 O ATOM 699 CB PRO A 51 -1.207 13.685 -22.013 1.00 0.00 C ATOM 700 CG PRO A 51 0.117 14.023 -21.329 1.00 0.00 C ATOM 701 CD PRO A 51 -0.257 15.164 -20.384 1.00 0.00 C ATOM 0 HA PRO A 51 -3.217 14.188 -21.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.232 12.649 -22.352 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.379 14.311 -22.889 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.520 13.167 -20.787 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.875 14.330 -22.050 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.310 15.101 -19.455 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.028 16.131 -20.832 1.00 0.00 H new ATOM 709 N VAL A 52 -3.651 12.679 -19.359 1.00 0.00 N ATOM 710 CA VAL A 52 -4.057 11.584 -18.485 1.00 0.00 C ATOM 711 C VAL A 52 -5.471 11.151 -18.879 1.00 0.00 C ATOM 712 O VAL A 52 -5.616 10.376 -19.824 1.00 0.00 O ATOM 713 CB VAL A 52 -3.891 11.981 -17.001 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.226 10.806 -16.066 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.446 12.409 -16.706 1.00 0.00 C ATOM 0 H VAL A 52 -4.342 13.427 -19.413 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.411 10.715 -18.610 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.578 12.808 -16.822 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.099 11.118 -15.029 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.258 10.495 -16.228 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.558 9.971 -16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.355 12.684 -15.655 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.770 11.583 -16.925 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.186 13.265 -17.328 1.00 0.00 H new ATOM 725 N ASP A 53 -6.508 11.638 -18.180 1.00 0.00 N ATOM 726 CA ASP A 53 -7.901 11.293 -18.435 1.00 0.00 C ATOM 727 C ASP A 53 -8.804 12.437 -17.980 1.00 0.00 C ATOM 728 O ASP A 53 -8.834 12.764 -16.795 1.00 0.00 O ATOM 729 CB ASP A 53 -8.274 10.010 -17.674 1.00 0.00 C ATOM 730 CG ASP A 53 -7.602 8.767 -18.248 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.083 8.296 -19.302 1.00 0.00 O ATOM 732 OD2 ASP A 53 -6.615 8.311 -17.630 1.00 0.00 O ATOM 0 H ASP A 53 -6.391 12.295 -17.408 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.035 11.126 -19.504 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.992 10.119 -16.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.356 9.878 -17.701 1.00 0.00 H new ATOM 737 N GLY A 54 -9.536 13.040 -18.927 1.00 0.00 N ATOM 738 CA GLY A 54 -10.464 14.126 -18.659 1.00 0.00 C ATOM 739 C GLY A 54 -11.809 13.531 -18.222 1.00 0.00 C ATOM 740 O GLY A 54 -12.175 12.466 -18.716 1.00 0.00 O ATOM 0 H GLY A 54 -9.493 12.777 -19.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.068 14.777 -17.879 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.595 14.739 -19.550 1.00 0.00 H new ATOM 744 N PRO A 55 -12.569 14.178 -17.321 1.00 0.00 N ATOM 745 CA PRO A 55 -12.268 15.446 -16.669 1.00 0.00 C ATOM 746 C PRO A 55 -11.100 15.362 -15.684 1.00 0.00 C ATOM 747 O PRO A 55 -10.756 14.292 -15.189 1.00 0.00 O ATOM 748 CB PRO A 55 -13.558 15.842 -15.942 1.00 0.00 C ATOM 749 CG PRO A 55 -14.273 14.518 -15.691 1.00 0.00 C ATOM 750 CD PRO A 55 -13.856 13.664 -16.884 1.00 0.00 C ATOM 0 HA PRO A 55 -11.954 16.182 -17.409 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.344 16.362 -15.008 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -14.166 16.513 -16.548 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.966 14.068 -14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.354 14.647 -15.646 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.780 12.614 -16.603 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.593 13.728 -17.685 1.00 0.00 H new ATOM 758 N TYR A 56 -10.491 16.523 -15.425 1.00 0.00 N ATOM 759 CA TYR A 56 -9.377 16.744 -14.525 1.00 0.00 C ATOM 760 C TYR A 56 -9.524 18.135 -13.916 1.00 0.00 C ATOM 761 O TYR A 56 -9.933 19.076 -14.604 1.00 0.00 O ATOM 762 CB TYR A 56 -8.074 16.497 -15.293 1.00 0.00 C ATOM 763 CG TYR A 56 -7.567 17.516 -16.313 1.00 0.00 C ATOM 764 CD1 TYR A 56 -8.436 18.250 -17.150 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.177 17.712 -16.433 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.921 19.173 -18.078 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.662 18.628 -17.366 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.534 19.367 -18.183 1.00 0.00 C ATOM 769 OH TYR A 56 -6.029 20.267 -19.077 1.00 0.00 O ATOM 0 H TYR A 56 -10.792 17.388 -15.875 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.360 16.049 -13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.285 16.364 -14.553 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.184 15.547 -15.816 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.503 18.102 -17.077 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.501 17.153 -15.802 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.593 19.733 -18.711 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.594 18.764 -17.455 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.677 20.411 -19.798 1.00 0.00 H new ATOM 779 N GLN A 57 -9.178 18.255 -12.623 1.00 0.00 N ATOM 780 CA GLN A 57 -9.337 19.500 -11.889 1.00 0.00 C ATOM 781 C GLN A 57 -8.134 19.914 -11.034 1.00 0.00 C ATOM 782 O GLN A 57 -7.228 19.127 -10.774 1.00 0.00 O ATOM 783 CB GLN A 57 -10.651 19.386 -11.103 1.00 0.00 C ATOM 784 CG GLN A 57 -11.834 19.180 -12.066 1.00 0.00 C ATOM 785 CD GLN A 57 -13.198 19.591 -11.516 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.360 19.827 -10.323 1.00 0.00 O ATOM 787 NE2 GLN A 57 -14.199 19.669 -12.398 1.00 0.00 N ATOM 0 H GLN A 57 -8.785 17.493 -12.071 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.385 20.328 -12.597 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.593 18.552 -10.404 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.808 20.288 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.642 19.745 -12.978 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.875 18.127 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.028 19.466 -13.383 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.134 19.932 -12.086 1.00 0.00 H new ATOM 796 N GLU A 58 -8.165 21.179 -10.589 1.00 0.00 N ATOM 797 CA GLU A 58 -7.130 21.850 -9.806 1.00 0.00 C ATOM 798 C GLU A 58 -7.121 21.528 -8.314 1.00 0.00 C ATOM 799 O GLU A 58 -8.072 20.969 -7.792 1.00 0.00 O ATOM 800 CB GLU A 58 -7.394 23.367 -9.904 1.00 0.00 C ATOM 801 CG GLU A 58 -7.536 23.921 -11.328 1.00 0.00 C ATOM 802 CD GLU A 58 -6.275 23.708 -12.163 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.120 22.581 -12.679 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.488 24.673 -12.273 1.00 0.00 O ATOM 0 H GLU A 58 -8.959 21.790 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.180 21.510 -10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.305 23.596 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.579 23.893 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.380 23.439 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.761 24.986 -11.280 1.00 0.00 H new ATOM 811 N PHE A 59 -6.028 21.851 -7.610 1.00 0.00 N ATOM 812 CA PHE A 59 -5.954 21.671 -6.169 1.00 0.00 C ATOM 813 C PHE A 59 -4.818 22.510 -5.580 1.00 0.00 C ATOM 814 O PHE A 59 -3.662 22.119 -5.697 1.00 0.00 O ATOM 815 CB PHE A 59 -5.900 20.220 -5.706 1.00 0.00 C ATOM 816 CG PHE A 59 -5.913 20.272 -4.201 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.085 20.661 -3.524 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.756 19.956 -3.475 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.090 20.730 -2.124 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.769 20.026 -2.080 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.933 20.411 -1.404 1.00 0.00 C ATOM 0 H PHE A 59 -5.182 22.240 -8.026 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.902 22.036 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.752 19.656 -6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.001 19.725 -6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.977 20.905 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.856 19.659 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.986 21.029 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.878 19.782 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.938 20.462 -0.325 1.00 0.00 H new ATOM 831 N PRO A 60 -5.069 23.643 -4.917 1.00 0.00 N ATOM 832 CA PRO A 60 -3.999 24.454 -4.415 1.00 0.00 C ATOM 833 C PRO A 60 -3.316 23.879 -3.172 1.00 0.00 C ATOM 834 O PRO A 60 -4.002 23.378 -2.281 1.00 0.00 O ATOM 835 CB PRO A 60 -4.573 25.829 -4.230 1.00 0.00 C ATOM 836 CG PRO A 60 -5.933 25.467 -3.686 1.00 0.00 C ATOM 837 CD PRO A 60 -6.319 24.273 -4.591 1.00 0.00 C ATOM 0 HA PRO A 60 -3.172 24.485 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.992 26.434 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.632 26.387 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.893 25.188 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.641 26.291 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.987 23.584 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.839 24.608 -5.488 1.00 0.00 H new ATOM 845 N ILE A 61 -1.976 23.932 -3.109 1.00 0.00 N ATOM 846 CA ILE A 61 -1.204 23.443 -1.978 1.00 0.00 C ATOM 847 C ILE A 61 -0.575 24.552 -1.167 1.00 0.00 C ATOM 848 O ILE A 61 -0.668 25.748 -1.435 1.00 0.00 O ATOM 849 CB ILE A 61 -0.151 22.440 -2.451 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.599 21.511 -1.472 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.749 23.023 -3.538 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.951 20.173 -2.111 1.00 0.00 C ATOM 0 H ILE A 61 -1.401 24.322 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.902 22.939 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.823 21.682 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.511 22.002 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.018 21.340 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.481 22.276 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.143 23.309 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.266 23.901 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.477 19.551 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.037 19.669 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.590 20.341 -2.978 1.00 0.00 H new ATOM 864 N LYS A 62 0.081 24.016 -0.158 1.00 0.00 N ATOM 865 CA LYS A 62 0.836 24.691 0.888 1.00 0.00 C ATOM 866 C LYS A 62 1.930 23.765 1.419 1.00 0.00 C ATOM 867 O LYS A 62 1.806 22.543 1.361 1.00 0.00 O ATOM 868 CB LYS A 62 -0.094 25.209 1.996 1.00 0.00 C ATOM 869 CG LYS A 62 -0.080 26.742 2.064 1.00 0.00 C ATOM 870 CD LYS A 62 1.191 27.315 2.698 1.00 0.00 C ATOM 871 CE LYS A 62 1.111 28.844 2.748 1.00 0.00 C ATOM 872 NZ LYS A 62 2.329 29.425 3.336 1.00 0.00 N ATOM 0 H LYS A 62 0.103 23.004 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 62 1.326 25.570 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.110 24.860 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.216 24.797 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.186 27.143 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.945 27.080 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.316 26.917 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.064 27.007 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.968 29.236 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.242 29.146 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.244 30.461 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.451 29.069 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.154 29.156 2.762 1.00 0.00 H new ATOM 886 N SER A 63 3.000 24.374 1.945 1.00 0.00 N ATOM 887 CA SER A 63 4.190 23.730 2.479 1.00 0.00 C ATOM 888 C SER A 63 3.967 23.113 3.864 1.00 0.00 C ATOM 889 O SER A 63 4.732 23.379 4.790 1.00 0.00 O ATOM 890 CB SER A 63 5.333 24.756 2.473 1.00 0.00 C ATOM 891 OG SER A 63 5.011 25.865 3.287 1.00 0.00 O ATOM 0 H SER A 63 3.054 25.391 2.009 1.00 0.00 H new ATOM 0 HA SER A 63 4.452 22.885 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.250 24.289 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.524 25.090 1.453 1.00 0.00 H new ATOM 0 HG SER A 63 5.751 26.507 3.273 1.00 0.00 H new ATOM 897 N GLY A 64 2.922 22.287 4.001 1.00 0.00 N ATOM 898 CA GLY A 64 2.574 21.597 5.237 1.00 0.00 C ATOM 899 C GLY A 64 1.086 21.689 5.567 1.00 0.00 C ATOM 900 O GLY A 64 0.737 22.049 6.689 1.00 0.00 O ATOM 0 H GLY A 64 2.283 22.079 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.859 20.548 5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.151 22.021 6.059 1.00 0.00 H new ATOM 904 N GLY A 65 0.213 21.361 4.604 1.00 0.00 N ATOM 905 CA GLY A 65 -1.230 21.383 4.805 1.00 0.00 C ATOM 906 C GLY A 65 -1.994 21.807 3.555 1.00 0.00 C ATOM 907 O GLY A 65 -1.405 22.184 2.542 1.00 0.00 O ATOM 0 H GLY A 65 0.494 21.074 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.565 20.392 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.468 22.066 5.620 1.00 0.00 H new ATOM 911 N VAL A 66 -3.327 21.726 3.653 1.00 0.00 N ATOM 912 CA VAL A 66 -4.260 22.093 2.602 1.00 0.00 C ATOM 913 C VAL A 66 -4.440 23.611 2.620 1.00 0.00 C ATOM 914 O VAL A 66 -4.670 24.207 3.673 1.00 0.00 O ATOM 915 CB VAL A 66 -5.598 21.354 2.802 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.702 21.964 1.924 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.437 19.854 2.508 1.00 0.00 C ATOM 0 H VAL A 66 -3.792 21.391 4.497 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.873 21.799 1.626 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.895 21.470 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.635 21.424 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.840 23.012 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.416 21.889 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.392 19.350 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.110 19.718 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.695 19.429 3.183 1.00 0.00 H new ATOM 927 N TYR A 67 -4.338 24.225 1.439 1.00 0.00 N ATOM 928 CA TYR A 67 -4.464 25.660 1.251 1.00 0.00 C ATOM 929 C TYR A 67 -5.907 26.114 1.469 1.00 0.00 C ATOM 930 O TYR A 67 -6.839 25.482 0.973 1.00 0.00 O ATOM 931 CB TYR A 67 -4.021 26.000 -0.169 1.00 0.00 C ATOM 932 CG TYR A 67 -3.977 27.478 -0.495 1.00 0.00 C ATOM 933 CD1 TYR A 67 -2.940 28.270 0.024 1.00 0.00 C ATOM 934 CD2 TYR A 67 -4.958 28.065 -1.316 1.00 0.00 C ATOM 935 CE1 TYR A 67 -2.874 29.639 -0.274 1.00 0.00 C ATOM 936 CE2 TYR A 67 -4.893 29.436 -1.618 1.00 0.00 C ATOM 937 CZ TYR A 67 -3.845 30.221 -1.104 1.00 0.00 C ATOM 938 OH TYR A 67 -3.766 31.549 -1.399 1.00 0.00 O ATOM 0 H TYR A 67 -4.161 23.720 0.570 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.838 26.177 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.029 25.578 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.696 25.510 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.188 27.822 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.761 27.462 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.078 30.244 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.648 29.887 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.829 31.796 -1.547 1.00 0.00 H new ATOM 948 N THR A 68 -6.069 27.214 2.214 1.00 0.00 N ATOM 949 CA THR A 68 -7.352 27.825 2.528 1.00 0.00 C ATOM 950 C THR A 68 -7.178 29.341 2.430 1.00 0.00 C ATOM 951 O THR A 68 -7.090 30.030 3.445 1.00 0.00 O ATOM 952 CB THR A 68 -7.850 27.375 3.913 1.00 0.00 C ATOM 953 OG1 THR A 68 -6.857 27.584 4.898 1.00 0.00 O ATOM 954 CG2 THR A 68 -8.254 25.897 3.918 1.00 0.00 C ATOM 0 H THR A 68 -5.281 27.714 2.625 1.00 0.00 H new ATOM 0 HA THR A 68 -8.118 27.507 1.821 1.00 0.00 H new ATOM 0 HB THR A 68 -8.728 27.979 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.512 28.498 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.600 25.618 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.056 25.736 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.394 25.284 3.647 1.00 0.00 H new ATOM 962 N GLY A 69 -7.118 29.849 1.193 1.00 0.00 N ATOM 963 CA GLY A 69 -6.943 31.264 0.914 1.00 0.00 C ATOM 964 C GLY A 69 -7.388 31.588 -0.510 1.00 0.00 C ATOM 965 O GLY A 69 -8.357 31.015 -1.007 1.00 0.00 O ATOM 0 H GLY A 69 -7.191 29.275 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.521 31.855 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.897 31.540 1.046 1.00 0.00 H new ATOM 969 N GLY A 70 -6.665 32.508 -1.160 1.00 0.00 N ATOM 970 CA GLY A 70 -6.932 32.963 -2.514 1.00 0.00 C ATOM 971 C GLY A 70 -5.649 33.502 -3.146 1.00 0.00 C ATOM 972 O GLY A 70 -5.291 33.100 -4.252 1.00 0.00 O ATOM 0 H GLY A 70 -5.856 32.965 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.324 32.141 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.696 33.741 -2.501 1.00 0.00 H new ATOM 976 N SER A 71 -4.959 34.406 -2.435 1.00 0.00 N ATOM 977 CA SER A 71 -3.709 35.013 -2.874 1.00 0.00 C ATOM 978 C SER A 71 -2.880 35.439 -1.652 1.00 0.00 C ATOM 979 O SER A 71 -3.464 35.779 -0.622 1.00 0.00 O ATOM 980 CB SER A 71 -4.007 36.219 -3.775 1.00 0.00 C ATOM 981 OG SER A 71 -4.696 37.224 -3.060 1.00 0.00 O ATOM 0 H SER A 71 -5.267 34.738 -1.521 1.00 0.00 H new ATOM 0 HA SER A 71 -3.133 34.286 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.075 36.622 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.604 35.901 -4.630 1.00 0.00 H new ATOM 0 HG SER A 71 -4.874 37.984 -3.653 1.00 0.00 H new ATOM 987 N PRO A 72 -1.536 35.446 -1.735 1.00 0.00 N ATOM 988 CA PRO A 72 -0.720 34.922 -2.822 1.00 0.00 C ATOM 989 C PRO A 72 -0.831 33.402 -2.940 1.00 0.00 C ATOM 990 O PRO A 72 -0.973 32.705 -1.935 1.00 0.00 O ATOM 991 CB PRO A 72 0.728 35.313 -2.493 1.00 0.00 C ATOM 992 CG PRO A 72 0.585 36.433 -1.465 1.00 0.00 C ATOM 993 CD PRO A 72 -0.679 36.021 -0.715 1.00 0.00 C ATOM 0 HA PRO A 72 -1.055 35.332 -3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.287 34.469 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.261 35.652 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.450 36.492 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.478 37.409 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.457 35.298 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.153 36.877 -0.235 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.774 32.905 -4.181 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.844 31.493 -4.515 1.00 0.00 C ATOM 1003 C GLY A 73 0.428 31.114 -5.265 1.00 0.00 C ATOM 1004 O GLY A 73 1.514 31.145 -4.688 1.00 0.00 O ATOM 0 H GLY A 73 -0.674 33.502 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.944 30.893 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.721 31.291 -5.130 1.00 0.00 H new ATOM 1008 N ALA A 74 0.283 30.772 -6.551 1.00 0.00 N ATOM 1009 CA ALA A 74 1.369 30.390 -7.442 1.00 0.00 C ATOM 1010 C ALA A 74 2.102 29.119 -7.014 1.00 0.00 C ATOM 1011 O ALA A 74 3.289 28.983 -7.289 1.00 0.00 O ATOM 1012 CB ALA A 74 2.352 31.533 -7.638 1.00 0.00 C ATOM 0 H ALA A 74 -0.628 30.755 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 74 0.894 30.162 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.151 31.215 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.834 32.388 -8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.778 31.816 -6.675 1.00 0.00 H new ATOM 1018 N ASP A 75 1.417 28.201 -6.330 1.00 0.00 N ATOM 1019 CA ASP A 75 1.948 26.930 -5.894 1.00 0.00 C ATOM 1020 C ASP A 75 0.731 26.009 -5.752 1.00 0.00 C ATOM 1021 O ASP A 75 0.169 25.845 -4.667 1.00 0.00 O ATOM 1022 CB ASP A 75 2.792 27.119 -4.624 1.00 0.00 C ATOM 1023 CG ASP A 75 2.008 27.545 -3.375 1.00 0.00 C ATOM 1024 OD1 ASP A 75 1.271 28.551 -3.469 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.154 26.858 -2.341 1.00 0.00 O ATOM 0 H ASP A 75 0.443 28.337 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 75 2.645 26.473 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.308 26.184 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.559 27.867 -4.825 1.00 0.00 H new ATOM 1030 N ARG A 76 0.317 25.409 -6.876 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.842 24.532 -6.919 1.00 0.00 C ATOM 1032 C ARG A 76 -0.539 23.199 -7.583 1.00 0.00 C ATOM 1033 O ARG A 76 0.074 23.158 -8.650 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.973 25.188 -7.726 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.460 26.538 -7.177 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.067 27.710 -8.082 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.608 27.551 -9.441 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.889 27.731 -9.809 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.823 28.113 -8.923 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.240 27.527 -11.086 1.00 0.00 N ATOM 0 H ARG A 76 0.782 25.523 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.132 24.362 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.632 25.331 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.819 24.501 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.544 26.514 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.043 26.695 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.433 28.642 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.981 27.786 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.951 27.279 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.567 28.273 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.789 28.244 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.539 27.238 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.209 27.661 -11.376 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.967 22.112 -6.929 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.830 20.767 -7.456 1.00 0.00 C ATOM 1056 C VAL A 77 -2.124 20.567 -8.254 1.00 0.00 C ATOM 1057 O VAL A 77 -3.103 21.276 -8.037 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.592 19.708 -6.366 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.693 19.987 -5.584 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.746 19.590 -5.376 1.00 0.00 C ATOM 0 H VAL A 77 -1.419 22.151 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 77 0.056 20.645 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.507 18.764 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.829 19.219 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.543 19.977 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.623 20.964 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.513 18.826 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.896 20.547 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.656 19.313 -5.909 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.168 19.626 -9.190 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.359 19.422 -10.001 1.00 0.00 C ATOM 1072 C VAL A 78 -3.573 17.913 -10.161 1.00 0.00 C ATOM 1073 O VAL A 78 -2.639 17.179 -10.483 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.185 20.261 -11.282 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.239 19.940 -12.345 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.206 21.774 -10.943 1.00 0.00 C ATOM 0 H VAL A 78 -1.395 18.995 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.290 19.775 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.216 19.997 -11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.068 20.560 -13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.168 18.888 -12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.233 20.143 -11.945 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.082 22.354 -11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.158 22.029 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.393 22.004 -10.255 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.816 17.470 -9.913 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.238 16.075 -9.957 1.00 0.00 C ATOM 1088 C ILE A 79 -6.243 15.779 -11.077 1.00 0.00 C ATOM 1089 O ILE A 79 -6.623 16.655 -11.853 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.787 15.678 -8.565 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.091 16.417 -8.211 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.727 15.904 -7.474 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.862 15.685 -7.107 1.00 0.00 C ATOM 0 H ILE A 79 -5.577 18.103 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.369 15.463 -10.197 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.024 14.615 -8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.860 17.431 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.716 16.502 -9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.136 15.618 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.847 15.298 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.446 16.957 -7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.777 16.231 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.114 14.679 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.244 15.623 -6.211 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.659 14.508 -11.137 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.613 13.941 -12.076 1.00 0.00 C ATOM 1107 C ASN A 80 -8.954 13.712 -11.372 1.00 0.00 C ATOM 1108 O ASN A 80 -9.115 14.089 -10.210 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.024 12.659 -12.675 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.728 12.964 -13.420 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.764 13.449 -14.550 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.583 12.694 -12.789 1.00 0.00 N ATOM 0 H ASN A 80 -6.309 13.808 -10.483 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.803 14.628 -12.900 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.833 11.935 -11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.744 12.205 -13.356 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.691 12.890 -13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.600 12.292 -11.852 1.00 0.00 H new ATOM 1119 N THR A 81 -9.907 13.084 -12.076 1.00 0.00 N ATOM 1120 CA THR A 81 -11.253 12.823 -11.584 1.00 0.00 C ATOM 1121 C THR A 81 -11.514 11.666 -10.648 1.00 0.00 C ATOM 1122 O THR A 81 -12.425 11.772 -9.826 1.00 0.00 O ATOM 1123 CB THR A 81 -12.276 12.935 -12.717 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.600 12.811 -12.245 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.043 11.848 -13.758 1.00 0.00 C ATOM 0 H THR A 81 -9.752 12.739 -13.023 1.00 0.00 H new ATOM 0 HA THR A 81 -11.383 13.630 -10.863 1.00 0.00 H new ATOM 0 HB THR A 81 -12.144 13.923 -13.159 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.879 13.653 -11.829 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.780 11.944 -14.555 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.041 11.952 -14.175 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.141 10.869 -13.290 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.758 10.578 -10.726 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.028 9.506 -9.797 1.00 0.00 C ATOM 1135 C ASN A 82 -10.377 9.920 -8.477 1.00 0.00 C ATOM 1136 O ASN A 82 -11.049 10.298 -7.517 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.476 8.176 -10.341 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.212 7.690 -11.590 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.287 8.183 -11.927 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.619 6.715 -12.284 1.00 0.00 N ATOM 0 H ASN A 82 -9.996 10.423 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.096 9.342 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.418 8.296 -10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.548 7.414 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.058 6.351 -13.130 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.727 6.334 -11.969 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.053 9.830 -8.480 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.153 10.107 -7.362 1.00 0.00 C ATOM 1149 C CYS A 83 -6.677 10.272 -7.767 1.00 0.00 C ATOM 1150 O CYS A 83 -5.846 10.496 -6.889 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.312 9.015 -6.289 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.038 9.508 -4.555 1.00 0.00 S ATOM 0 H CYS A 83 -8.544 9.543 -9.316 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.446 11.076 -6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.319 8.606 -6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.620 8.206 -6.524 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.324 10.182 -9.062 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.937 10.232 -9.506 1.00 0.00 C ATOM 1159 C GLU A 84 -4.357 11.637 -9.551 1.00 0.00 C ATOM 1160 O GLU A 84 -5.063 12.613 -9.769 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.811 9.556 -10.882 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.260 8.091 -10.849 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.191 7.460 -12.236 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.098 6.964 -12.586 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -6.235 7.484 -12.923 1.00 0.00 O ATOM 0 H GLU A 84 -6.997 10.073 -9.821 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.351 9.692 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.411 10.102 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.776 9.610 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.629 7.530 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.280 8.029 -10.469 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.039 11.698 -9.343 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.229 12.901 -9.308 1.00 0.00 C ATOM 1174 C TYR A 85 -1.606 13.112 -10.690 1.00 0.00 C ATOM 1175 O TYR A 85 -0.828 12.277 -11.149 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.189 12.677 -8.199 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.451 13.875 -7.629 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.378 15.108 -8.305 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.185 13.730 -6.381 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.328 16.179 -7.736 1.00 0.00 C ATOM 1181 CE2 TYR A 85 0.887 14.802 -5.813 1.00 0.00 C ATOM 1182 CZ TYR A 85 0.959 16.029 -6.491 1.00 0.00 C ATOM 1183 OH TYR A 85 1.649 17.077 -5.959 1.00 0.00 O ATOM 0 H TYR A 85 -2.485 10.856 -9.186 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.796 13.805 -9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.693 12.177 -7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.442 11.983 -8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.865 15.229 -9.261 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.132 12.787 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.386 17.123 -8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.372 14.684 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 85 1.809 17.750 -6.653 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.939 14.232 -11.350 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.439 14.557 -12.678 1.00 0.00 C ATOM 1195 C ALA A 86 -0.022 15.132 -12.596 1.00 0.00 C ATOM 1196 O ALA A 86 0.882 14.643 -13.271 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.400 15.529 -13.369 1.00 0.00 C ATOM 0 H ALA A 86 -2.568 14.937 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.386 13.646 -13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.022 15.770 -14.363 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.384 15.067 -13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.479 16.443 -12.780 1.00 0.00 H new ATOM 1203 N GLY A 87 0.165 16.164 -11.765 1.00 0.00 N ATOM 1204 CA GLY A 87 1.442 16.827 -11.551 1.00 0.00 C ATOM 1205 C GLY A 87 1.213 18.180 -10.883 1.00 0.00 C ATOM 1206 O GLY A 87 0.099 18.458 -10.449 1.00 0.00 O ATOM 0 H GLY A 87 -0.592 16.566 -11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.085 16.206 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.956 16.963 -12.502 1.00 0.00 H new ATOM 1210 N ALA A 88 2.251 19.025 -10.809 1.00 0.00 N ATOM 1211 CA ALA A 88 2.155 20.334 -10.171 1.00 0.00 C ATOM 1212 C ALA A 88 2.759 21.455 -11.014 1.00 0.00 C ATOM 1213 O ALA A 88 3.532 21.207 -11.939 1.00 0.00 O ATOM 1214 CB ALA A 88 2.811 20.255 -8.790 1.00 0.00 C ATOM 0 H ALA A 88 3.174 18.816 -11.189 1.00 0.00 H new ATOM 0 HA ALA A 88 1.100 20.588 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.747 21.227 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.296 19.509 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.858 19.973 -8.900 1.00 0.00 H new ATOM 1220 N ILE A 89 2.380 22.694 -10.667 1.00 0.00 N ATOM 1221 CA ILE A 89 2.802 23.925 -11.323 1.00 0.00 C ATOM 1222 C ILE A 89 3.013 25.036 -10.284 1.00 0.00 C ATOM 1223 O ILE A 89 2.544 24.932 -9.150 1.00 0.00 O ATOM 1224 CB ILE A 89 1.781 24.332 -12.407 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.375 24.542 -11.814 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.755 23.310 -13.554 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.652 24.991 -12.858 1.00 0.00 C ATOM 0 H ILE A 89 1.744 22.865 -9.888 1.00 0.00 H new ATOM 0 HA ILE A 89 3.757 23.758 -11.821 1.00 0.00 H new ATOM 0 HB ILE A 89 2.105 25.288 -12.818 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.037 23.613 -11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.429 25.287 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.027 23.622 -14.303 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.743 23.250 -14.011 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.476 22.331 -13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.623 25.122 -12.380 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.334 25.936 -13.299 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.731 24.235 -13.639 1.00 0.00 H new ATOM 1239 N THR A 90 3.715 26.104 -10.688 1.00 0.00 N ATOM 1240 CA THR A 90 4.041 27.256 -9.849 1.00 0.00 C ATOM 1241 C THR A 90 4.371 28.485 -10.706 1.00 0.00 C ATOM 1242 O THR A 90 4.702 28.326 -11.879 1.00 0.00 O ATOM 1243 CB THR A 90 5.278 26.899 -9.000 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.677 27.971 -8.172 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.487 26.521 -9.872 1.00 0.00 C ATOM 0 H THR A 90 4.081 26.188 -11.636 1.00 0.00 H new ATOM 0 HA THR A 90 3.183 27.492 -9.220 1.00 0.00 H new ATOM 0 HB THR A 90 4.973 26.047 -8.392 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.896 28.329 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.335 26.277 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.236 25.657 -10.487 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.748 27.361 -10.516 1.00 0.00 H new ATOM 1253 N HIS A 91 4.274 29.706 -10.145 1.00 0.00 N ATOM 1254 CA HIS A 91 4.645 30.911 -10.889 1.00 0.00 C ATOM 1255 C HIS A 91 6.167 31.014 -10.840 1.00 0.00 C ATOM 1256 O HIS A 91 6.799 31.168 -11.881 1.00 0.00 O ATOM 1257 CB HIS A 91 4.082 32.255 -10.397 1.00 0.00 C ATOM 1258 CG HIS A 91 2.616 32.499 -10.648 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.974 33.644 -10.204 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.651 31.772 -11.297 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.686 33.548 -10.571 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.425 32.430 -11.249 1.00 0.00 N ATOM 0 H HIS A 91 3.947 29.876 -9.194 1.00 0.00 H new ATOM 0 HA HIS A 91 4.210 30.775 -11.879 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.262 32.329 -9.325 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.648 33.057 -10.871 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.819 30.820 -11.779 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.059 34.296 -10.342 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.466 32.127 -11.642 1.00 0.00 H new ATOM 1270 N THR A 92 6.723 30.922 -9.619 1.00 0.00 N ATOM 1271 CA THR A 92 8.137 31.004 -9.271 1.00 0.00 C ATOM 1272 C THR A 92 9.032 30.433 -10.372 1.00 0.00 C ATOM 1273 O THR A 92 9.097 29.219 -10.563 1.00 0.00 O ATOM 1274 CB THR A 92 8.363 30.312 -7.918 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.451 30.819 -6.965 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.789 30.544 -7.407 1.00 0.00 C ATOM 0 H THR A 92 6.144 30.777 -8.792 1.00 0.00 H new ATOM 0 HA THR A 92 8.420 32.053 -9.178 1.00 0.00 H new ATOM 0 HB THR A 92 8.209 29.242 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.597 30.374 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.918 30.042 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.503 30.142 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.962 31.613 -7.283 1.00 0.00 H new ATOM 1284 N GLY A 93 9.707 31.336 -11.091 1.00 0.00 N ATOM 1285 CA GLY A 93 10.595 31.030 -12.198 1.00 0.00 C ATOM 1286 C GLY A 93 9.909 31.289 -13.542 1.00 0.00 C ATOM 1287 O GLY A 93 10.185 30.583 -14.510 1.00 0.00 O ATOM 0 H GLY A 93 9.641 32.337 -10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.497 31.637 -12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.907 29.987 -12.140 1.00 0.00 H new ATOM 1291 N ALA A 94 9.011 32.288 -13.594 1.00 0.00 N ATOM 1292 CA ALA A 94 8.284 32.690 -14.791 1.00 0.00 C ATOM 1293 C ALA A 94 8.312 34.219 -14.910 1.00 0.00 C ATOM 1294 O ALA A 94 9.327 34.832 -14.579 1.00 0.00 O ATOM 1295 CB ALA A 94 6.868 32.112 -14.742 1.00 0.00 C ATOM 0 H ALA A 94 8.771 32.848 -12.776 1.00 0.00 H new ATOM 0 HA ALA A 94 8.757 32.293 -15.689 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.322 32.411 -15.636 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.920 31.024 -14.696 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.352 32.488 -13.859 1.00 0.00 H new ATOM 1301 N SER A 95 7.217 34.841 -15.373 1.00 0.00 N ATOM 1302 CA SER A 95 7.131 36.285 -15.545 1.00 0.00 C ATOM 1303 C SER A 95 5.689 36.774 -15.393 1.00 0.00 C ATOM 1304 O SER A 95 5.100 37.304 -16.335 1.00 0.00 O ATOM 1305 CB SER A 95 7.716 36.654 -16.909 1.00 0.00 C ATOM 1306 OG SER A 95 7.755 38.055 -17.077 1.00 0.00 O ATOM 0 H SER A 95 6.365 34.346 -15.638 1.00 0.00 H new ATOM 0 HA SER A 95 7.709 36.782 -14.766 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.722 36.244 -17.001 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.116 36.205 -17.700 1.00 0.00 H new ATOM 0 HG SER A 95 6.844 38.414 -17.043 1.00 0.00 H new ATOM 1312 N GLY A 96 5.127 36.581 -14.195 1.00 0.00 N ATOM 1313 CA GLY A 96 3.778 37.001 -13.838 1.00 0.00 C ATOM 1314 C GLY A 96 2.838 35.834 -13.545 1.00 0.00 C ATOM 1315 O GLY A 96 3.145 34.983 -12.713 1.00 0.00 O ATOM 0 H GLY A 96 5.615 36.115 -13.430 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.827 37.648 -12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.363 37.597 -14.651 1.00 0.00 H new ATOM 1319 N ASN A 97 1.700 35.802 -14.250 1.00 0.00 N ATOM 1320 CA ASN A 97 0.657 34.795 -14.095 1.00 0.00 C ATOM 1321 C ASN A 97 0.985 33.480 -14.802 1.00 0.00 C ATOM 1322 O ASN A 97 0.484 32.432 -14.394 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.683 35.350 -14.599 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.725 35.502 -16.122 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.260 34.640 -16.815 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.162 36.595 -16.644 1.00 0.00 N ATOM 0 H ASN A 97 1.479 36.498 -14.962 1.00 0.00 H new ATOM 0 HA ASN A 97 0.589 34.567 -13.031 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.488 34.687 -14.282 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.867 36.320 -14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.166 36.738 -17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.272 37.287 -16.033 1.00 0.00 H new ATOM 1333 N ASN A 98 1.809 33.536 -15.855 1.00 0.00 N ATOM 1334 CA ASN A 98 2.218 32.376 -16.629 1.00 0.00 C ATOM 1335 C ASN A 98 2.865 31.325 -15.724 1.00 0.00 C ATOM 1336 O ASN A 98 3.886 31.581 -15.091 1.00 0.00 O ATOM 1337 CB ASN A 98 3.129 32.796 -17.793 1.00 0.00 C ATOM 1338 CG ASN A 98 4.427 33.487 -17.365 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.476 34.172 -16.346 1.00 0.00 O ATOM 1340 ND2 ASN A 98 5.492 33.308 -18.149 1.00 0.00 N ATOM 0 H ASN A 98 2.213 34.409 -16.193 1.00 0.00 H new ATOM 0 HA ASN A 98 1.335 31.913 -17.070 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.379 31.912 -18.380 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.574 33.467 -18.449 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.381 33.746 -17.909 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.417 32.733 -18.988 1.00 0.00 H new ATOM 1347 N PHE A 99 2.244 30.143 -15.661 1.00 0.00 N ATOM 1348 CA PHE A 99 2.699 29.028 -14.850 1.00 0.00 C ATOM 1349 C PHE A 99 3.774 28.221 -15.576 1.00 0.00 C ATOM 1350 O PHE A 99 3.834 28.218 -16.805 1.00 0.00 O ATOM 1351 CB PHE A 99 1.496 28.129 -14.522 1.00 0.00 C ATOM 1352 CG PHE A 99 0.761 28.563 -13.273 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.218 28.108 -12.027 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.365 29.404 -13.340 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.575 28.499 -10.844 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.013 29.799 -12.155 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.535 29.355 -10.908 1.00 0.00 C ATOM 0 H PHE A 99 1.394 29.938 -16.186 1.00 0.00 H new ATOM 0 HA PHE A 99 3.139 29.415 -13.931 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.805 28.134 -15.365 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.839 27.102 -14.397 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.073 27.450 -11.979 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.731 29.745 -14.297 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.932 28.143 -9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.878 30.444 -12.203 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.023 29.674 -9.999 1.00 0.00 H new ATOM 1367 N VAL A 100 4.624 27.553 -14.786 1.00 0.00 N ATOM 1368 CA VAL A 100 5.703 26.687 -15.241 1.00 0.00 C ATOM 1369 C VAL A 100 5.535 25.338 -14.546 1.00 0.00 C ATOM 1370 O VAL A 100 4.778 25.217 -13.583 1.00 0.00 O ATOM 1371 CB VAL A 100 7.094 27.305 -15.023 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.315 28.460 -16.004 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.328 27.768 -13.582 1.00 0.00 C ATOM 0 H VAL A 100 4.571 27.608 -13.769 1.00 0.00 H new ATOM 0 HA VAL A 100 5.639 26.553 -16.321 1.00 0.00 H new ATOM 0 HB VAL A 100 7.824 26.518 -15.213 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.303 28.891 -15.842 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.245 28.088 -17.026 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.555 29.224 -15.843 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.327 28.194 -13.495 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.587 28.523 -13.317 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.236 26.917 -12.907 1.00 0.00 H new ATOM 1383 N GLY A 101 6.256 24.329 -15.038 1.00 0.00 N ATOM 1384 CA GLY A 101 6.194 22.970 -14.535 1.00 0.00 C ATOM 1385 C GLY A 101 7.089 22.707 -13.326 1.00 0.00 C ATOM 1386 O GLY A 101 8.153 23.306 -13.179 1.00 0.00 O ATOM 0 H GLY A 101 6.910 24.444 -15.812 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.163 22.741 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.474 22.285 -15.336 1.00 0.00 H new ATOM 1390 N CYS A 102 6.615 21.798 -12.465 1.00 0.00 N ATOM 1391 CA CYS A 102 7.266 21.327 -11.249 1.00 0.00 C ATOM 1392 C CYS A 102 7.993 20.017 -11.594 1.00 0.00 C ATOM 1393 O CYS A 102 8.028 19.634 -12.764 1.00 0.00 O ATOM 1394 CB CYS A 102 6.178 21.194 -10.174 1.00 0.00 C ATOM 1395 SG CYS A 102 6.755 20.956 -8.478 1.00 0.00 S ATOM 0 H CYS A 102 5.712 21.348 -12.613 1.00 0.00 H new ATOM 0 HA CYS A 102 8.020 22.007 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.558 22.090 -10.202 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.536 20.354 -10.438 1.00 0.00 H new ATOM 1400 N SER A 103 8.595 19.320 -10.618 1.00 0.00 N ATOM 1401 CA SER A 103 9.282 18.062 -10.905 1.00 0.00 C ATOM 1402 C SER A 103 8.295 17.055 -11.502 1.00 0.00 C ATOM 1403 O SER A 103 7.165 16.940 -11.030 1.00 0.00 O ATOM 1404 CB SER A 103 10.011 17.510 -9.672 1.00 0.00 C ATOM 1405 OG SER A 103 9.199 16.628 -8.929 1.00 0.00 O ATOM 0 H SER A 103 8.618 19.605 -9.639 1.00 0.00 H new ATOM 0 HA SER A 103 10.059 18.252 -11.645 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.916 16.991 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.324 18.337 -9.035 1.00 0.00 H new ATOM 0 HG SER A 103 8.387 17.095 -8.642 1.00 0.00 H new ATOM 1411 N GLY A 104 8.721 16.337 -12.549 1.00 0.00 N ATOM 1412 CA GLY A 104 7.897 15.355 -13.241 1.00 0.00 C ATOM 1413 C GLY A 104 6.756 16.017 -14.020 1.00 0.00 C ATOM 1414 O GLY A 104 5.721 15.388 -14.234 1.00 0.00 O ATOM 0 H GLY A 104 9.659 16.427 -12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.518 14.778 -13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.483 14.653 -12.517 1.00 0.00 H new ATOM 1418 N THR A 105 6.942 17.280 -14.434 1.00 0.00 N ATOM 1419 CA THR A 105 5.980 18.062 -15.196 1.00 0.00 C ATOM 1420 C THR A 105 6.769 19.043 -16.063 1.00 0.00 C ATOM 1421 O THR A 105 7.444 19.926 -15.534 1.00 0.00 O ATOM 1422 CB THR A 105 5.013 18.805 -14.256 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.284 17.884 -13.472 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.031 19.670 -15.053 1.00 0.00 C ATOM 0 H THR A 105 7.800 17.795 -14.236 1.00 0.00 H new ATOM 0 HA THR A 105 5.371 17.412 -15.824 1.00 0.00 H new ATOM 0 HB THR A 105 5.609 19.447 -13.608 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.464 18.048 -12.523 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.359 20.184 -14.366 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.585 20.405 -15.637 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.450 19.037 -15.723 1.00 0.00 H new ATOM 1432 N ASN A 106 6.692 18.884 -17.389 1.00 0.00 N ATOM 1433 CA ASN A 106 7.389 19.736 -18.342 1.00 0.00 C ATOM 1434 C ASN A 106 6.754 19.580 -19.724 1.00 0.00 C ATOM 1435 O ASN A 106 6.576 20.627 -20.385 1.00 0.00 O ATOM 1436 CB ASN A 106 8.882 19.373 -18.368 1.00 0.00 C ATOM 1437 CG ASN A 106 9.669 20.269 -19.321 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.047 19.840 -20.409 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.922 21.515 -18.909 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.605 18.416 -20.155 1.00 0.00 O ATOM 0 H ASN A 106 6.136 18.150 -17.829 1.00 0.00 H new ATOM 0 HA ASN A 106 7.301 20.780 -18.041 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.295 19.461 -17.363 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.997 18.332 -18.670 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.449 22.153 -19.506 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.588 21.828 -17.997 1.00 0.00 H new TER 1447 ASN A 106