USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 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 -19:sc= 1.45 USER MOD Set 1.2: A 81 THR OG1 : rot 5:sc= 1.22 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.0301 USER MOD Set 2.2: A 40 HIS : no HD1:sc= 0.0502 X(o=0.02,f=-0.33) USER MOD Set 3.1: A 5 THR OG1 : rot -96:sc= 0.126 USER MOD Set 3.2: A 10 ASN : amide:sc= 0.129 K(o=0.26,f=-0.82) USER MOD Single : A 1 PCA N :NH3+ -167:sc= 1.23 (180deg=1.1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -78:sc= 1.43 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 165:sc= 0 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= -0.0693 X(o=-0.069,f=-0.07) USER MOD Single : A 21 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot -145:sc= 0.00281 USER MOD Single : A 28 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.16) USER MOD Single : A 29 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -49:sc= 0.22 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot 10:sc= 0.577 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 -117:sc= 0.0145 USER MOD Single : A 43 ASN : amide:sc= 0.0358 K(o=0.036,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.19) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 139:sc= 0.021 USER MOD Single : A 57 GLN : amide:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0211) USER MOD Single : A 63 SER OG : rot 59:sc= 0.146 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -72:sc= 0.593 USER MOD Single : A 71 SER OG : rot 180:sc= -0.107 USER MOD Single : A 80 ASN : amide:sc= -0.285 K(o=-0.29,f=-10!) USER MOD Single : A 82 ASN : amide:sc= -0.0424 K(o=-0.042,f=-3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 131:sc= 0.593 USER MOD Single : A 91 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.6!) USER MOD Single : A 92 THR OG1 : rot -46:sc= 0.463 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.524 K(o=0.52,f=-9.2!) USER MOD Single : A 103 SER OG : rot 89:sc= 0.624 USER MOD Single : A 105 THR OG1 : rot -38:sc= 1.16 USER MOD Single : A 106 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 4.215 11.946 -8.359 1.00 0.00 N HETATM 2 CA PCA A 1 3.809 11.525 -7.011 1.00 0.00 C HETATM 3 CB PCA A 1 2.589 10.615 -7.213 1.00 0.00 C HETATM 4 CG PCA A 1 2.835 9.946 -8.570 1.00 0.00 C HETATM 5 CD PCA A 1 3.661 10.989 -9.321 1.00 0.00 C HETATM 6 OE PCA A 1 3.747 11.051 -10.546 1.00 0.00 O HETATM 7 C PCA A 1 4.967 10.826 -6.297 1.00 0.00 C HETATM 8 O PCA A 1 4.795 9.777 -5.677 1.00 0.00 O HETATM 0 H2 PCA A 1 3.507 12.603 -8.745 1.00 0.00 H new HETATM 0 HA PCA A 1 3.546 12.366 -6.370 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.507 9.877 -6.415 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.662 11.188 -7.214 1.00 0.00 H new HETATM 0 HG2 PCA A 1 3.373 9.004 -8.464 1.00 0.00 H new HETATM 0 HG3 PCA A 1 1.901 9.723 -9.086 1.00 0.00 H new ATOM 15 N SER A 2 6.155 11.432 -6.390 1.00 0.00 N ATOM 16 CA SER A 2 7.390 10.942 -5.793 1.00 0.00 C ATOM 17 C SER A 2 8.251 12.153 -5.431 1.00 0.00 C ATOM 18 O SER A 2 9.406 12.244 -5.848 1.00 0.00 O ATOM 19 CB SER A 2 8.104 10.001 -6.775 1.00 0.00 C ATOM 20 OG SER A 2 7.285 8.899 -7.105 1.00 0.00 O ATOM 0 H SER A 2 6.282 12.306 -6.901 1.00 0.00 H new ATOM 0 HA SER A 2 7.190 10.368 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.368 10.547 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.036 9.647 -6.333 1.00 0.00 H new ATOM 0 HG SER A 2 7.760 8.315 -7.732 1.00 0.00 H new ATOM 26 N ALA A 3 7.663 13.077 -4.656 1.00 0.00 N ATOM 27 CA ALA A 3 8.249 14.329 -4.188 1.00 0.00 C ATOM 28 C ALA A 3 8.334 15.327 -5.339 1.00 0.00 C ATOM 29 O ALA A 3 8.534 14.936 -6.488 1.00 0.00 O ATOM 30 CB ALA A 3 9.606 14.130 -3.499 1.00 0.00 C ATOM 0 H ALA A 3 6.707 12.956 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 3 7.590 14.737 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.993 15.095 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.483 13.477 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.307 13.676 -4.200 1.00 0.00 H new ATOM 36 N THR A 4 8.169 16.621 -5.035 1.00 0.00 N ATOM 37 CA THR A 4 8.218 17.648 -6.060 1.00 0.00 C ATOM 38 C THR A 4 8.710 18.968 -5.472 1.00 0.00 C ATOM 39 O THR A 4 8.283 19.367 -4.391 1.00 0.00 O ATOM 40 CB THR A 4 6.852 17.750 -6.763 1.00 0.00 C ATOM 41 OG1 THR A 4 7.023 18.287 -8.057 1.00 0.00 O ATOM 42 CG2 THR A 4 5.843 18.600 -5.978 1.00 0.00 C ATOM 0 H THR A 4 8.002 16.971 -4.091 1.00 0.00 H new ATOM 0 HA THR A 4 8.943 17.377 -6.828 1.00 0.00 H new ATOM 0 HB THR A 4 6.444 16.741 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.136 19.258 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.898 18.637 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.680 18.157 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.233 19.611 -5.860 1.00 0.00 H new ATOM 50 N THR A 5 9.622 19.638 -6.185 1.00 0.00 N ATOM 51 CA THR A 5 10.195 20.902 -5.800 1.00 0.00 C ATOM 52 C THR A 5 9.647 21.963 -6.758 1.00 0.00 C ATOM 53 O THR A 5 10.002 22.012 -7.932 1.00 0.00 O ATOM 54 CB THR A 5 11.723 20.717 -5.781 1.00 0.00 C ATOM 55 OG1 THR A 5 12.131 20.349 -4.482 1.00 0.00 O ATOM 56 CG2 THR A 5 12.486 21.954 -6.228 1.00 0.00 C ATOM 0 H THR A 5 9.984 19.291 -7.073 1.00 0.00 H new ATOM 0 HA THR A 5 9.927 21.247 -4.802 1.00 0.00 H new ATOM 0 HB THR A 5 11.958 19.931 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.424 21.146 -3.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.557 21.754 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.200 22.209 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.249 22.787 -5.566 1.00 0.00 H new ATOM 64 N CYS A 6 8.754 22.810 -6.240 1.00 0.00 N ATOM 65 CA CYS A 6 8.131 23.895 -6.977 1.00 0.00 C ATOM 66 C CYS A 6 8.904 25.159 -6.616 1.00 0.00 C ATOM 67 O CYS A 6 8.533 25.893 -5.699 1.00 0.00 O ATOM 68 CB CYS A 6 6.642 23.963 -6.617 1.00 0.00 C ATOM 69 SG CYS A 6 5.508 23.078 -7.728 1.00 0.00 S ATOM 0 H CYS A 6 8.441 22.753 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 6 8.170 23.756 -8.057 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.514 23.566 -5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.344 25.011 -6.587 1.00 0.00 H new ATOM 74 N GLY A 7 9.998 25.392 -7.352 1.00 0.00 N ATOM 75 CA GLY A 7 10.879 26.528 -7.157 1.00 0.00 C ATOM 76 C GLY A 7 11.703 26.315 -5.894 1.00 0.00 C ATOM 77 O GLY A 7 12.519 25.398 -5.831 1.00 0.00 O ATOM 0 H GLY A 7 10.293 24.779 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.536 26.645 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.296 27.445 -7.074 1.00 0.00 H new ATOM 81 N SER A 8 11.482 27.176 -4.896 1.00 0.00 N ATOM 82 CA SER A 8 12.148 27.125 -3.604 1.00 0.00 C ATOM 83 C SER A 8 11.334 26.279 -2.622 1.00 0.00 C ATOM 84 O SER A 8 11.904 25.686 -1.708 1.00 0.00 O ATOM 85 CB SER A 8 12.324 28.547 -3.063 1.00 0.00 C ATOM 86 OG SER A 8 13.075 29.325 -3.971 1.00 0.00 O ATOM 0 H SER A 8 10.817 27.945 -4.973 1.00 0.00 H new ATOM 0 HA SER A 8 13.129 26.665 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.348 29.005 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.827 28.516 -2.096 1.00 0.00 H new ATOM 0 HG SER A 8 13.180 30.232 -3.616 1.00 0.00 H new ATOM 92 N THR A 9 10.007 26.220 -2.819 1.00 0.00 N ATOM 93 CA THR A 9 9.088 25.482 -1.971 1.00 0.00 C ATOM 94 C THR A 9 9.198 23.987 -2.284 1.00 0.00 C ATOM 95 O THR A 9 8.552 23.485 -3.205 1.00 0.00 O ATOM 96 CB THR A 9 7.661 26.024 -2.153 1.00 0.00 C ATOM 97 OG1 THR A 9 7.660 27.438 -2.138 1.00 0.00 O ATOM 98 CG2 THR A 9 6.776 25.539 -1.007 1.00 0.00 C ATOM 0 H THR A 9 9.544 26.698 -3.592 1.00 0.00 H new ATOM 0 HA THR A 9 9.347 25.616 -0.921 1.00 0.00 H new ATOM 0 HB THR A 9 7.282 25.665 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.744 27.766 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.765 25.925 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.751 24.449 -1.003 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.180 25.896 -0.059 1.00 0.00 H new ATOM 106 N ASN A 10 10.031 23.289 -1.505 1.00 0.00 N ATOM 107 CA ASN A 10 10.296 21.868 -1.642 1.00 0.00 C ATOM 108 C ASN A 10 9.246 21.065 -0.876 1.00 0.00 C ATOM 109 O ASN A 10 9.202 21.128 0.352 1.00 0.00 O ATOM 110 CB ASN A 10 11.715 21.564 -1.134 1.00 0.00 C ATOM 111 CG ASN A 10 12.800 22.333 -1.894 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.562 22.865 -2.977 1.00 0.00 O ATOM 113 ND2 ASN A 10 14.004 22.387 -1.319 1.00 0.00 N ATOM 0 H ASN A 10 10.552 23.718 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 10 10.236 21.579 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.776 21.812 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.905 20.494 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.767 22.883 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.160 21.932 -0.419 1.00 0.00 H new ATOM 120 N TYR A 11 8.407 20.316 -1.606 1.00 0.00 N ATOM 121 CA TYR A 11 7.357 19.481 -1.042 1.00 0.00 C ATOM 122 C TYR A 11 7.749 18.005 -1.071 1.00 0.00 C ATOM 123 O TYR A 11 8.220 17.492 -2.085 1.00 0.00 O ATOM 124 CB TYR A 11 6.049 19.663 -1.824 1.00 0.00 C ATOM 125 CG TYR A 11 5.387 21.013 -1.651 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.761 21.331 -0.433 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.383 21.945 -2.705 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.131 22.575 -0.269 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.752 23.189 -2.540 1.00 0.00 C ATOM 130 CZ TYR A 11 4.114 23.501 -1.325 1.00 0.00 C ATOM 131 OH TYR A 11 3.489 24.703 -1.163 1.00 0.00 O ATOM 0 H TYR A 11 8.447 20.279 -2.625 1.00 0.00 H new ATOM 0 HA TYR A 11 7.215 19.791 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.251 19.507 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.347 18.888 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.765 20.617 0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.865 21.704 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.659 22.820 0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.756 23.907 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 11 3.766 25.315 -1.877 1.00 0.00 H new ATOM 141 N SER A 12 7.542 17.334 0.065 1.00 0.00 N ATOM 142 CA SER A 12 7.804 15.917 0.264 1.00 0.00 C ATOM 143 C SER A 12 6.758 15.114 -0.481 1.00 0.00 C ATOM 144 O SER A 12 5.656 15.603 -0.722 1.00 0.00 O ATOM 145 CB SER A 12 7.749 15.604 1.762 1.00 0.00 C ATOM 146 OG SER A 12 8.737 16.345 2.445 1.00 0.00 O ATOM 0 H SER A 12 7.172 17.786 0.901 1.00 0.00 H new ATOM 0 HA SER A 12 8.791 15.656 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.762 15.847 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.904 14.538 1.925 1.00 0.00 H new ATOM 0 HG SER A 12 8.695 16.141 3.403 1.00 0.00 H new ATOM 152 N ALA A 13 7.110 13.879 -0.858 1.00 0.00 N ATOM 153 CA ALA A 13 6.168 12.992 -1.518 1.00 0.00 C ATOM 154 C ALA A 13 4.991 12.779 -0.564 1.00 0.00 C ATOM 155 O ALA A 13 3.902 12.414 -0.997 1.00 0.00 O ATOM 156 CB ALA A 13 6.838 11.649 -1.826 1.00 0.00 C ATOM 0 H ALA A 13 8.038 13.480 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 13 5.829 13.426 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.124 10.991 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.695 11.811 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.173 11.188 -0.897 1.00 0.00 H new ATOM 162 N SER A 14 5.226 13.029 0.735 1.00 0.00 N ATOM 163 CA SER A 14 4.223 12.899 1.776 1.00 0.00 C ATOM 164 C SER A 14 3.243 14.072 1.689 1.00 0.00 C ATOM 165 O SER A 14 2.051 13.876 1.892 1.00 0.00 O ATOM 166 CB SER A 14 4.906 12.858 3.147 1.00 0.00 C ATOM 167 OG SER A 14 5.766 11.742 3.227 1.00 0.00 O ATOM 0 H SER A 14 6.135 13.331 1.084 1.00 0.00 H new ATOM 0 HA SER A 14 3.667 11.971 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.472 13.775 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.155 12.805 3.935 1.00 0.00 H new ATOM 0 HG SER A 14 6.199 11.725 4.106 1.00 0.00 H new ATOM 173 N GLN A 15 3.740 15.279 1.376 1.00 0.00 N ATOM 174 CA GLN A 15 2.949 16.500 1.261 1.00 0.00 C ATOM 175 C GLN A 15 2.110 16.507 -0.011 1.00 0.00 C ATOM 176 O GLN A 15 0.919 16.815 0.038 1.00 0.00 O ATOM 177 CB GLN A 15 3.861 17.731 1.324 1.00 0.00 C ATOM 178 CG GLN A 15 4.465 17.889 2.721 1.00 0.00 C ATOM 179 CD GLN A 15 3.445 18.413 3.727 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.882 17.643 4.502 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.208 19.728 3.720 1.00 0.00 N ATOM 0 H GLN A 15 4.732 15.430 1.192 1.00 0.00 H new ATOM 0 HA GLN A 15 2.258 16.534 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.658 17.637 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.292 18.624 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.849 16.927 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.313 18.572 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.698 20.331 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.537 20.129 4.376 1.00 0.00 H new ATOM 190 N VAL A 16 2.742 16.176 -1.142 1.00 0.00 N ATOM 191 CA VAL A 16 2.106 16.097 -2.451 1.00 0.00 C ATOM 192 C VAL A 16 0.906 15.154 -2.334 1.00 0.00 C ATOM 193 O VAL A 16 -0.206 15.492 -2.734 1.00 0.00 O ATOM 194 CB VAL A 16 3.089 15.561 -3.505 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.389 15.404 -4.856 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.264 16.523 -3.696 1.00 0.00 C ATOM 0 H VAL A 16 3.736 15.951 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 16 1.788 17.091 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 16 3.452 14.597 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.098 15.024 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.559 14.704 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.010 16.372 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.945 16.121 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.891 17.492 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.794 16.642 -2.751 1.00 0.00 H new ATOM 206 N ARG A 17 1.168 13.972 -1.762 1.00 0.00 N ATOM 207 CA ARG A 17 0.203 12.905 -1.564 1.00 0.00 C ATOM 208 C ARG A 17 -0.826 13.215 -0.475 1.00 0.00 C ATOM 209 O ARG A 17 -1.974 12.799 -0.614 1.00 0.00 O ATOM 210 CB ARG A 17 0.967 11.606 -1.296 1.00 0.00 C ATOM 211 CG ARG A 17 0.090 10.362 -1.440 1.00 0.00 C ATOM 212 CD ARG A 17 0.980 9.117 -1.416 1.00 0.00 C ATOM 213 NE ARG A 17 0.194 7.908 -1.691 1.00 0.00 N ATOM 214 CZ ARG A 17 0.687 6.748 -2.158 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.000 6.586 -2.382 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.154 5.733 -2.404 1.00 0.00 N ATOM 0 H ARG A 17 2.096 13.732 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.391 12.798 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.807 11.535 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.384 11.636 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.638 10.319 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.473 10.404 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.773 9.217 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.463 9.029 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.809 7.952 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.647 7.352 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.351 5.696 -2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.154 5.847 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.206 4.847 -2.759 1.00 0.00 H new ATOM 230 N ALA A 18 -0.450 13.927 0.601 1.00 0.00 N ATOM 231 CA ALA A 18 -1.387 14.271 1.668 1.00 0.00 C ATOM 232 C ALA A 18 -2.465 15.199 1.116 1.00 0.00 C ATOM 233 O ALA A 18 -3.657 14.923 1.260 1.00 0.00 O ATOM 234 CB ALA A 18 -0.662 14.923 2.849 1.00 0.00 C ATOM 0 H ALA A 18 0.498 14.273 0.749 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.854 13.357 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.384 15.169 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.081 14.231 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.166 15.834 2.514 1.00 0.00 H new ATOM 240 N ALA A 19 -2.032 16.292 0.473 1.00 0.00 N ATOM 241 CA ALA A 19 -2.928 17.265 -0.126 1.00 0.00 C ATOM 242 C ALA A 19 -3.775 16.570 -1.193 1.00 0.00 C ATOM 243 O ALA A 19 -4.967 16.843 -1.304 1.00 0.00 O ATOM 244 CB ALA A 19 -2.128 18.448 -0.693 1.00 0.00 C ATOM 0 H ALA A 19 -1.044 16.518 0.358 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.601 17.674 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.812 19.170 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.568 18.927 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.435 18.088 -1.453 1.00 0.00 H new ATOM 250 N ALA A 20 -3.180 15.658 -1.971 1.00 0.00 N ATOM 251 CA ALA A 20 -3.914 14.969 -3.018 1.00 0.00 C ATOM 252 C ALA A 20 -4.977 14.022 -2.500 1.00 0.00 C ATOM 253 O ALA A 20 -6.036 13.919 -3.114 1.00 0.00 O ATOM 254 CB ALA A 20 -2.961 14.304 -4.012 1.00 0.00 C ATOM 0 H ALA A 20 -2.200 15.387 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.472 15.734 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.538 13.796 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.328 15.063 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.337 13.579 -3.489 1.00 0.00 H new ATOM 260 N ASN A 21 -4.707 13.326 -1.396 1.00 0.00 N ATOM 261 CA ASN A 21 -5.684 12.434 -0.800 1.00 0.00 C ATOM 262 C ASN A 21 -6.786 13.301 -0.160 1.00 0.00 C ATOM 263 O ASN A 21 -7.921 12.845 0.013 1.00 0.00 O ATOM 264 CB ASN A 21 -4.979 11.547 0.236 1.00 0.00 C ATOM 265 CG ASN A 21 -5.808 10.328 0.645 1.00 0.00 C ATOM 266 OD1 ASN A 21 -5.462 9.202 0.294 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.896 10.539 1.391 1.00 0.00 N ATOM 0 H ASN A 21 -3.816 13.367 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.140 11.779 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.025 11.211 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.755 12.141 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.471 9.751 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.152 11.488 1.663 1.00 0.00 H new ATOM 274 N ALA A 22 -6.463 14.569 0.160 1.00 0.00 N ATOM 275 CA ALA A 22 -7.415 15.448 0.831 1.00 0.00 C ATOM 276 C ALA A 22 -8.414 15.901 -0.213 1.00 0.00 C ATOM 277 O ALA A 22 -9.613 15.666 -0.072 1.00 0.00 O ATOM 278 CB ALA A 22 -6.715 16.617 1.523 1.00 0.00 C ATOM 0 H ALA A 22 -5.558 14.996 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.933 14.918 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.458 17.248 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.018 16.234 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.169 17.204 0.784 1.00 0.00 H new ATOM 284 N ALA A 23 -7.895 16.561 -1.253 1.00 0.00 N ATOM 285 CA ALA A 23 -8.705 17.010 -2.365 1.00 0.00 C ATOM 286 C ALA A 23 -9.457 15.823 -2.954 1.00 0.00 C ATOM 287 O ALA A 23 -10.620 15.982 -3.261 1.00 0.00 O ATOM 288 CB ALA A 23 -7.861 17.716 -3.414 1.00 0.00 C ATOM 0 H ALA A 23 -6.905 16.793 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.430 17.740 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.499 18.041 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.375 18.583 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.103 17.031 -3.792 1.00 0.00 H new ATOM 294 N CYS A 24 -8.834 14.649 -3.106 1.00 0.00 N ATOM 295 CA CYS A 24 -9.485 13.450 -3.633 1.00 0.00 C ATOM 296 C CYS A 24 -10.819 13.208 -2.926 1.00 0.00 C ATOM 297 O CYS A 24 -11.839 13.025 -3.589 1.00 0.00 O ATOM 298 CB CYS A 24 -8.553 12.245 -3.451 1.00 0.00 C ATOM 299 SG CYS A 24 -9.292 10.596 -3.266 1.00 0.00 S ATOM 0 H CYS A 24 -7.854 14.506 -2.863 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.688 13.590 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.882 12.213 -4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.937 12.433 -2.571 1.00 0.00 H new ATOM 304 N GLN A 25 -10.810 13.220 -1.587 1.00 0.00 N ATOM 305 CA GLN A 25 -12.008 12.985 -0.794 1.00 0.00 C ATOM 306 C GLN A 25 -13.054 14.111 -0.897 1.00 0.00 C ATOM 307 O GLN A 25 -14.243 13.829 -1.045 1.00 0.00 O ATOM 308 CB GLN A 25 -11.571 12.746 0.659 1.00 0.00 C ATOM 309 CG GLN A 25 -12.731 12.310 1.560 1.00 0.00 C ATOM 310 CD GLN A 25 -12.255 12.042 2.986 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.543 12.820 3.892 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.526 10.941 3.187 1.00 0.00 N ATOM 0 H GLN A 25 -9.972 13.393 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.518 12.108 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.793 11.983 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.131 13.660 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.498 13.085 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.192 11.410 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.310 10.322 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.185 10.719 4.122 1.00 0.00 H new ATOM 321 N TYR A 26 -12.615 15.375 -0.834 1.00 0.00 N ATOM 322 CA TYR A 26 -13.469 16.571 -0.860 1.00 0.00 C ATOM 323 C TYR A 26 -14.048 16.929 -2.238 1.00 0.00 C ATOM 324 O TYR A 26 -15.222 17.281 -2.340 1.00 0.00 O ATOM 325 CB TYR A 26 -12.792 17.658 -0.005 1.00 0.00 C ATOM 326 CG TYR A 26 -12.215 18.952 -0.535 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.985 19.838 -1.306 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.880 19.279 -0.220 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.419 21.042 -1.755 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.316 20.480 -0.673 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.091 21.371 -1.432 1.00 0.00 C ATOM 332 OH TYR A 26 -10.557 22.550 -1.866 1.00 0.00 O ATOM 0 H TYR A 26 -11.623 15.601 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.429 16.384 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.526 17.945 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.976 17.160 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.008 19.594 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.288 18.599 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.009 21.721 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.289 20.719 -0.439 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.606 22.425 -2.065 1.00 0.00 H new ATOM 342 N TYR A 27 -13.215 16.843 -3.282 1.00 0.00 N ATOM 343 CA TYR A 27 -13.554 17.079 -4.702 1.00 0.00 C ATOM 344 C TYR A 27 -14.766 16.199 -5.052 1.00 0.00 C ATOM 345 O TYR A 27 -15.663 16.636 -5.771 1.00 0.00 O ATOM 346 CB TYR A 27 -12.349 16.818 -5.678 1.00 0.00 C ATOM 347 CG TYR A 27 -12.691 16.253 -7.060 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.001 14.881 -7.102 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.708 17.006 -8.267 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.364 14.255 -8.295 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.082 16.359 -9.468 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.421 14.999 -9.470 1.00 0.00 C ATOM 353 OH TYR A 27 -13.803 14.375 -10.610 1.00 0.00 O ATOM 0 H TYR A 27 -12.233 16.594 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.798 18.133 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.815 17.758 -5.818 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.659 16.129 -5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.957 14.301 -6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.440 18.052 -8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.599 13.201 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.107 16.918 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.700 13.406 -10.503 1.00 0.00 H new ATOM 363 N GLN A 28 -14.786 14.964 -4.524 1.00 0.00 N ATOM 364 CA GLN A 28 -15.835 13.975 -4.753 1.00 0.00 C ATOM 365 C GLN A 28 -17.103 14.257 -3.948 1.00 0.00 C ATOM 366 O GLN A 28 -18.204 14.038 -4.452 1.00 0.00 O ATOM 367 CB GLN A 28 -15.317 12.565 -4.408 1.00 0.00 C ATOM 368 CG GLN A 28 -14.939 11.753 -5.653 1.00 0.00 C ATOM 369 CD GLN A 28 -16.151 11.472 -6.545 1.00 0.00 C ATOM 370 OE1 GLN A 28 -17.163 10.954 -6.076 1.00 0.00 O ATOM 371 NE2 GLN A 28 -16.062 11.813 -7.834 1.00 0.00 N ATOM 0 H GLN A 28 -14.047 14.623 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.097 14.036 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.447 12.651 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.082 12.028 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.186 12.296 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.488 10.809 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.208 12.241 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.849 11.645 -8.461 1.00 0.00 H new ATOM 380 N ASN A 29 -16.959 14.738 -2.707 1.00 0.00 N ATOM 381 CA ASN A 29 -18.081 15.021 -1.825 1.00 0.00 C ATOM 382 C ASN A 29 -19.007 16.119 -2.359 1.00 0.00 C ATOM 383 O ASN A 29 -20.209 16.071 -2.103 1.00 0.00 O ATOM 384 CB ASN A 29 -17.543 15.392 -0.437 1.00 0.00 C ATOM 385 CG ASN A 29 -18.631 15.266 0.629 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.280 16.247 0.975 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.838 14.057 1.153 1.00 0.00 N ATOM 0 H ASN A 29 -16.050 14.941 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.692 14.120 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.705 14.743 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.162 16.413 -0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.556 13.926 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.279 13.263 0.841 1.00 0.00 H new ATOM 394 N ASP A 30 -18.449 17.097 -3.090 1.00 0.00 N ATOM 395 CA ASP A 30 -19.161 18.237 -3.665 1.00 0.00 C ATOM 396 C ASP A 30 -19.664 19.180 -2.563 1.00 0.00 C ATOM 397 O ASP A 30 -20.697 19.835 -2.694 1.00 0.00 O ATOM 398 CB ASP A 30 -20.268 17.762 -4.624 1.00 0.00 C ATOM 399 CG ASP A 30 -20.792 18.869 -5.539 1.00 0.00 C ATOM 400 OD1 ASP A 30 -19.951 19.625 -6.070 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.030 18.935 -5.697 1.00 0.00 O ATOM 0 H ASP A 30 -17.451 17.111 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.469 18.823 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.883 16.946 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.096 17.360 -4.041 1.00 0.00 H new ATOM 406 N ASP A 31 -18.884 19.231 -1.479 1.00 0.00 N ATOM 407 CA ASP A 31 -19.049 20.010 -0.261 1.00 0.00 C ATOM 408 C ASP A 31 -17.676 19.987 0.415 1.00 0.00 C ATOM 409 O ASP A 31 -16.686 19.635 -0.228 1.00 0.00 O ATOM 410 CB ASP A 31 -20.184 19.421 0.598 1.00 0.00 C ATOM 411 CG ASP A 31 -20.725 20.392 1.648 1.00 0.00 C ATOM 412 OD1 ASP A 31 -21.435 21.338 1.240 1.00 0.00 O ATOM 413 OD2 ASP A 31 -20.424 20.167 2.841 1.00 0.00 O ATOM 0 H ASP A 31 -18.035 18.667 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.352 21.042 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -21.001 19.114 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.821 18.523 1.098 1.00 0.00 H new ATOM 418 N THR A 32 -17.613 20.367 1.697 1.00 0.00 N ATOM 419 CA THR A 32 -16.392 20.392 2.501 1.00 0.00 C ATOM 420 C THR A 32 -15.254 21.070 1.729 1.00 0.00 C ATOM 421 O THR A 32 -14.198 20.489 1.491 1.00 0.00 O ATOM 422 CB THR A 32 -16.089 19.032 3.156 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.833 19.056 3.801 1.00 0.00 O ATOM 424 CG2 THR A 32 -16.162 17.852 2.193 1.00 0.00 C ATOM 0 H THR A 32 -18.436 20.674 2.216 1.00 0.00 H new ATOM 0 HA THR A 32 -16.536 21.029 3.374 1.00 0.00 H new ATOM 0 HB THR A 32 -16.879 18.877 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.157 19.415 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.936 16.930 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.164 17.789 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.437 17.992 1.391 1.00 0.00 H new ATOM 432 N ALA A 33 -15.515 22.324 1.341 1.00 0.00 N ATOM 433 CA ALA A 33 -14.621 23.178 0.577 1.00 0.00 C ATOM 434 C ALA A 33 -14.772 24.627 1.041 1.00 0.00 C ATOM 435 O ALA A 33 -15.665 24.938 1.829 1.00 0.00 O ATOM 436 CB ALA A 33 -14.992 23.035 -0.902 1.00 0.00 C ATOM 0 H ALA A 33 -16.397 22.784 1.565 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.581 22.888 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.337 23.665 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -14.876 21.995 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.027 23.343 -1.049 1.00 0.00 H new ATOM 442 N GLY A 34 -13.902 25.518 0.549 1.00 0.00 N ATOM 443 CA GLY A 34 -13.960 26.926 0.909 1.00 0.00 C ATOM 444 C GLY A 34 -12.846 27.724 0.241 1.00 0.00 C ATOM 445 O GLY A 34 -12.050 28.361 0.931 1.00 0.00 O ATOM 0 H GLY A 34 -13.151 25.281 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.927 27.337 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.883 27.029 1.991 1.00 0.00 H new ATOM 449 N SER A 35 -12.804 27.692 -1.097 1.00 0.00 N ATOM 450 CA SER A 35 -11.830 28.402 -1.913 1.00 0.00 C ATOM 451 C SER A 35 -12.584 29.384 -2.811 1.00 0.00 C ATOM 452 O SER A 35 -12.869 30.501 -2.382 1.00 0.00 O ATOM 453 CB SER A 35 -10.967 27.386 -2.675 1.00 0.00 C ATOM 454 OG SER A 35 -10.044 28.045 -3.517 1.00 0.00 O ATOM 0 H SER A 35 -13.470 27.153 -1.651 1.00 0.00 H new ATOM 0 HA SER A 35 -11.137 28.988 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.433 26.752 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.606 26.732 -3.269 1.00 0.00 H new ATOM 0 HG SER A 35 -9.400 27.395 -3.869 1.00 0.00 H new ATOM 460 N SER A 36 -12.903 28.980 -4.049 1.00 0.00 N ATOM 461 CA SER A 36 -13.633 29.781 -5.023 1.00 0.00 C ATOM 462 C SER A 36 -14.261 28.835 -6.045 1.00 0.00 C ATOM 463 O SER A 36 -15.479 28.821 -6.217 1.00 0.00 O ATOM 464 CB SER A 36 -12.700 30.788 -5.713 1.00 0.00 C ATOM 465 OG SER A 36 -12.291 31.804 -4.825 1.00 0.00 O ATOM 0 H SER A 36 -12.649 28.058 -4.404 1.00 0.00 H new ATOM 0 HA SER A 36 -14.412 30.355 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.824 30.268 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.211 31.233 -6.567 1.00 0.00 H new ATOM 0 HG SER A 36 -12.561 31.569 -3.913 1.00 0.00 H new ATOM 471 N THR A 37 -13.407 28.058 -6.724 1.00 0.00 N ATOM 472 CA THR A 37 -13.772 27.075 -7.734 1.00 0.00 C ATOM 473 C THR A 37 -13.063 25.757 -7.406 1.00 0.00 C ATOM 474 O THR A 37 -13.709 24.713 -7.331 1.00 0.00 O ATOM 475 CB THR A 37 -13.420 27.609 -9.133 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.035 27.863 -9.258 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.196 28.891 -9.454 1.00 0.00 C ATOM 0 H THR A 37 -12.399 28.105 -6.572 1.00 0.00 H new ATOM 0 HA THR A 37 -14.846 26.890 -7.732 1.00 0.00 H new ATOM 0 HB THR A 37 -13.704 26.832 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.844 28.200 -10.158 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.924 29.242 -10.450 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.266 28.686 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.951 29.658 -8.720 1.00 0.00 H new ATOM 485 N TYR A 38 -11.736 25.830 -7.218 1.00 0.00 N ATOM 486 CA TYR A 38 -10.819 24.746 -6.876 1.00 0.00 C ATOM 487 C TYR A 38 -11.446 23.914 -5.757 1.00 0.00 C ATOM 488 O TYR A 38 -11.797 24.467 -4.715 1.00 0.00 O ATOM 489 CB TYR A 38 -9.478 25.337 -6.387 1.00 0.00 C ATOM 490 CG TYR A 38 -8.731 26.276 -7.331 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.161 27.608 -7.506 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.593 25.828 -8.031 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.482 28.468 -8.385 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.913 26.688 -8.909 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.362 28.005 -9.095 1.00 0.00 C ATOM 496 OH TYR A 38 -6.706 28.834 -9.959 1.00 0.00 O ATOM 0 H TYR A 38 -11.245 26.719 -7.310 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.636 24.122 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.667 25.876 -5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.814 24.507 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.019 27.970 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.241 24.816 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.821 29.485 -8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.043 26.335 -9.442 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.954 28.354 -10.365 1.00 0.00 H new ATOM 506 N PRO A 39 -11.600 22.596 -5.947 1.00 0.00 N ATOM 507 CA PRO A 39 -11.202 21.813 -7.105 1.00 0.00 C ATOM 508 C PRO A 39 -12.111 22.087 -8.313 1.00 0.00 C ATOM 509 O PRO A 39 -13.315 21.846 -8.237 1.00 0.00 O ATOM 510 CB PRO A 39 -11.259 20.364 -6.633 1.00 0.00 C ATOM 511 CG PRO A 39 -12.350 20.376 -5.566 1.00 0.00 C ATOM 512 CD PRO A 39 -12.197 21.754 -4.943 1.00 0.00 C ATOM 0 HA PRO A 39 -10.204 22.071 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.505 19.686 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.303 20.038 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.340 20.236 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.207 19.582 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.165 22.148 -4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.570 21.709 -4.052 1.00 0.00 H new ATOM 520 N HIS A 40 -11.532 22.589 -9.421 1.00 0.00 N ATOM 521 CA HIS A 40 -12.245 22.931 -10.647 1.00 0.00 C ATOM 522 C HIS A 40 -11.491 22.438 -11.877 1.00 0.00 C ATOM 523 O HIS A 40 -10.258 22.426 -11.892 1.00 0.00 O ATOM 524 CB HIS A 40 -12.463 24.440 -10.750 1.00 0.00 C ATOM 525 CG HIS A 40 -11.234 25.219 -11.151 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.202 26.014 -12.286 1.00 0.00 N ATOM 527 CD2 HIS A 40 -9.982 25.328 -10.597 1.00 0.00 C ATOM 528 CE1 HIS A 40 -9.972 26.550 -12.361 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.179 26.173 -11.356 1.00 0.00 N ATOM 0 H HIS A 40 -10.530 22.769 -9.480 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.215 22.435 -10.608 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.254 24.632 -11.475 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.816 24.811 -9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.664 24.826 -9.695 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.658 27.216 -13.151 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.210 26.442 -11.184 1.00 0.00 H new ATOM 537 N THR A 41 -12.277 22.054 -12.892 1.00 0.00 N ATOM 538 CA THR A 41 -11.857 21.514 -14.175 1.00 0.00 C ATOM 539 C THR A 41 -10.664 22.233 -14.814 1.00 0.00 C ATOM 540 O THR A 41 -10.446 23.426 -14.607 1.00 0.00 O ATOM 541 CB THR A 41 -13.058 21.420 -15.126 1.00 0.00 C ATOM 542 OG1 THR A 41 -12.743 20.612 -16.243 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.485 22.803 -15.603 1.00 0.00 C ATOM 0 H THR A 41 -13.293 22.121 -12.825 1.00 0.00 H new ATOM 0 HA THR A 41 -11.480 20.511 -13.977 1.00 0.00 H new ATOM 0 HB THR A 41 -13.883 20.968 -14.576 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.519 20.561 -16.839 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.338 22.709 -16.275 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.766 23.413 -14.745 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.658 23.277 -16.131 1.00 0.00 H new ATOM 551 N TYR A 42 -9.912 21.459 -15.603 1.00 0.00 N ATOM 552 CA TYR A 42 -8.736 21.864 -16.350 1.00 0.00 C ATOM 553 C TYR A 42 -8.996 21.448 -17.794 1.00 0.00 C ATOM 554 O TYR A 42 -9.328 20.290 -18.043 1.00 0.00 O ATOM 555 CB TYR A 42 -7.505 21.153 -15.773 1.00 0.00 C ATOM 556 CG TYR A 42 -6.131 21.572 -16.282 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.932 22.764 -17.012 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.024 20.746 -16.003 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.646 23.120 -17.453 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.739 21.105 -16.444 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.548 22.292 -17.170 1.00 0.00 C ATOM 562 OH TYR A 42 -2.297 22.647 -17.591 1.00 0.00 O ATOM 0 H TYR A 42 -10.130 20.472 -15.740 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.547 22.936 -16.291 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.516 21.291 -14.692 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.619 20.085 -15.960 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.772 23.406 -17.233 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.164 19.831 -15.447 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.502 24.033 -18.011 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.896 20.467 -16.224 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.961 21.975 -18.220 1.00 0.00 H new ATOM 572 N ASN A 43 -8.858 22.387 -18.739 1.00 0.00 N ATOM 573 CA ASN A 43 -9.100 22.127 -20.148 1.00 0.00 C ATOM 574 C ASN A 43 -7.961 21.304 -20.767 1.00 0.00 C ATOM 575 O ASN A 43 -7.888 20.099 -20.528 1.00 0.00 O ATOM 576 CB ASN A 43 -9.403 23.448 -20.873 1.00 0.00 C ATOM 577 CG ASN A 43 -9.818 23.217 -22.325 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.048 23.483 -23.246 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.040 22.718 -22.529 1.00 0.00 N ATOM 0 H ASN A 43 -8.575 23.346 -18.539 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.985 21.502 -20.266 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.198 23.977 -20.348 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.522 24.089 -20.845 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.367 22.543 -23.479 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.646 22.512 -21.735 1.00 0.00 H new ATOM 586 N ASN A 44 -7.076 21.943 -21.546 1.00 0.00 N ATOM 587 CA ASN A 44 -5.955 21.314 -22.237 1.00 0.00 C ATOM 588 C ASN A 44 -5.163 22.390 -22.989 1.00 0.00 C ATOM 589 O ASN A 44 -3.935 22.418 -22.931 1.00 0.00 O ATOM 590 CB ASN A 44 -6.504 20.259 -23.222 1.00 0.00 C ATOM 591 CG ASN A 44 -5.478 19.731 -24.226 1.00 0.00 C ATOM 592 OD1 ASN A 44 -4.901 18.665 -24.022 1.00 0.00 O ATOM 593 ND2 ASN A 44 -5.258 20.466 -25.321 1.00 0.00 N ATOM 0 H ASN A 44 -7.128 22.948 -21.714 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.293 20.824 -21.523 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.900 19.419 -22.651 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.340 20.693 -23.771 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.591 20.147 -26.024 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.757 21.346 -25.454 1.00 0.00 H new ATOM 600 N TYR A 45 -5.900 23.259 -23.696 1.00 0.00 N ATOM 601 CA TYR A 45 -5.435 24.361 -24.527 1.00 0.00 C ATOM 602 C TYR A 45 -4.278 25.174 -23.940 1.00 0.00 C ATOM 603 O TYR A 45 -4.352 25.628 -22.799 1.00 0.00 O ATOM 604 CB TYR A 45 -6.632 25.274 -24.817 1.00 0.00 C ATOM 605 CG TYR A 45 -6.366 26.343 -25.857 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.325 25.995 -27.219 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.171 27.682 -25.470 1.00 0.00 C ATOM 608 CE1 TYR A 45 -6.090 26.980 -28.193 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.937 28.668 -26.443 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.893 28.318 -27.805 1.00 0.00 C ATOM 611 OH TYR A 45 -5.654 29.276 -28.749 1.00 0.00 O ATOM 0 H TYR A 45 -6.918 23.198 -23.696 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.026 23.921 -25.436 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.469 24.660 -25.150 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.939 25.756 -23.889 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.475 24.968 -27.517 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.201 27.952 -24.425 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.061 26.710 -29.238 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.791 29.696 -26.145 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.542 30.146 -28.311 1.00 0.00 H new ATOM 621 N GLU A 46 -3.225 25.347 -24.754 1.00 0.00 N ATOM 622 CA GLU A 46 -2.001 26.091 -24.472 1.00 0.00 C ATOM 623 C GLU A 46 -1.436 25.822 -23.078 1.00 0.00 C ATOM 624 O GLU A 46 -1.658 26.596 -22.147 1.00 0.00 O ATOM 625 CB GLU A 46 -2.215 27.588 -24.730 1.00 0.00 C ATOM 626 CG GLU A 46 -2.440 27.858 -26.224 1.00 0.00 C ATOM 627 CD GLU A 46 -2.533 29.352 -26.532 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.129 30.078 -25.706 1.00 0.00 O ATOM 629 OE2 GLU A 46 -2.004 29.746 -27.594 1.00 0.00 O ATOM 0 H GLU A 46 -3.212 24.940 -25.689 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.239 25.728 -25.162 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.074 27.941 -24.159 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.348 28.149 -24.381 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.623 27.420 -26.798 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.357 27.364 -26.547 1.00 0.00 H new ATOM 636 N GLY A 47 -0.690 24.720 -22.950 1.00 0.00 N ATOM 637 CA GLY A 47 -0.062 24.316 -21.706 1.00 0.00 C ATOM 638 C GLY A 47 0.489 22.900 -21.834 1.00 0.00 C ATOM 639 O GLY A 47 0.764 22.431 -22.939 1.00 0.00 O ATOM 0 H GLY A 47 -0.508 24.080 -23.723 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.743 25.007 -21.455 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.786 24.361 -20.892 1.00 0.00 H new ATOM 643 N PHE A 48 0.652 22.233 -20.686 1.00 0.00 N ATOM 644 CA PHE A 48 1.144 20.875 -20.560 1.00 0.00 C ATOM 645 C PHE A 48 -0.041 19.961 -20.252 1.00 0.00 C ATOM 646 O PHE A 48 -1.044 20.407 -19.692 1.00 0.00 O ATOM 647 CB PHE A 48 2.196 20.785 -19.439 1.00 0.00 C ATOM 648 CG PHE A 48 2.470 22.053 -18.648 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.514 22.518 -17.725 1.00 0.00 C ATOM 650 CD2 PHE A 48 3.669 22.768 -18.836 1.00 0.00 C ATOM 651 CE1 PHE A 48 1.753 23.700 -17.002 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.911 23.944 -18.105 1.00 0.00 C ATOM 653 CZ PHE A 48 2.953 24.408 -17.186 1.00 0.00 C ATOM 0 H PHE A 48 0.432 22.653 -19.783 1.00 0.00 H new ATOM 0 HA PHE A 48 1.621 20.566 -21.490 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.881 20.011 -18.740 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.135 20.452 -19.881 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.598 21.967 -17.572 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.404 22.412 -19.543 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.013 24.064 -16.304 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.831 24.490 -18.249 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.140 25.309 -16.621 1.00 0.00 H new ATOM 663 N ASP A 49 0.096 18.681 -20.617 1.00 0.00 N ATOM 664 CA ASP A 49 -0.915 17.660 -20.392 1.00 0.00 C ATOM 665 C ASP A 49 -0.235 16.435 -19.788 1.00 0.00 C ATOM 666 O ASP A 49 0.769 15.954 -20.315 1.00 0.00 O ATOM 667 CB ASP A 49 -1.641 17.345 -21.706 1.00 0.00 C ATOM 668 CG ASP A 49 -2.301 18.598 -22.280 1.00 0.00 C ATOM 669 OD1 ASP A 49 -3.238 19.099 -21.622 1.00 0.00 O ATOM 670 OD2 ASP A 49 -1.854 19.042 -23.360 1.00 0.00 O ATOM 0 H ASP A 49 0.930 18.327 -21.085 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.674 18.008 -19.692 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.933 16.939 -22.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.396 16.578 -21.534 1.00 0.00 H new ATOM 675 N PHE A 50 -0.796 15.935 -18.683 1.00 0.00 N ATOM 676 CA PHE A 50 -0.284 14.795 -17.936 1.00 0.00 C ATOM 677 C PHE A 50 -0.514 13.481 -18.693 1.00 0.00 C ATOM 678 O PHE A 50 -1.476 13.382 -19.455 1.00 0.00 O ATOM 679 CB PHE A 50 -0.907 14.835 -16.534 1.00 0.00 C ATOM 680 CG PHE A 50 -0.771 16.208 -15.893 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.506 16.766 -15.686 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.916 16.937 -15.518 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.637 18.043 -15.115 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.783 18.209 -14.936 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.507 18.764 -14.736 1.00 0.00 C ATOM 0 H PHE A 50 -1.644 16.328 -18.276 1.00 0.00 H new ATOM 0 HA PHE A 50 0.799 14.852 -17.825 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.962 14.567 -16.597 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.426 14.089 -15.901 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.388 16.210 -15.967 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.898 16.518 -15.678 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.618 18.470 -14.967 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.663 18.762 -14.642 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.407 19.743 -14.292 1.00 0.00 H new ATOM 695 N PRO A 51 0.345 12.465 -18.487 1.00 0.00 N ATOM 696 CA PRO A 51 0.267 11.178 -19.170 1.00 0.00 C ATOM 697 C PRO A 51 -0.993 10.353 -18.887 1.00 0.00 C ATOM 698 O PRO A 51 -1.238 9.386 -19.605 1.00 0.00 O ATOM 699 CB PRO A 51 1.534 10.420 -18.764 1.00 0.00 C ATOM 700 CG PRO A 51 1.880 11.007 -17.399 1.00 0.00 C ATOM 701 CD PRO A 51 1.469 12.469 -17.558 1.00 0.00 C ATOM 0 HA PRO A 51 0.198 11.355 -20.243 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.358 9.346 -18.706 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.340 10.572 -19.482 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.332 10.516 -16.595 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.941 10.906 -17.170 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.183 12.902 -16.599 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.294 13.068 -17.944 1.00 0.00 H new ATOM 709 N VAL A 52 -1.795 10.715 -17.875 1.00 0.00 N ATOM 710 CA VAL A 52 -3.007 9.981 -17.528 1.00 0.00 C ATOM 711 C VAL A 52 -3.999 10.009 -18.698 1.00 0.00 C ATOM 712 O VAL A 52 -4.293 8.954 -19.253 1.00 0.00 O ATOM 713 CB VAL A 52 -3.623 10.530 -16.228 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.918 9.788 -15.873 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.633 10.427 -15.058 1.00 0.00 C ATOM 0 H VAL A 52 -1.617 11.524 -17.279 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.751 8.938 -17.342 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.855 11.581 -16.400 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.330 10.197 -14.951 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.641 9.911 -16.680 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.704 8.728 -15.736 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.096 10.822 -14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.363 9.383 -14.901 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.737 11.003 -15.288 1.00 0.00 H new ATOM 725 N ASP A 53 -4.486 11.213 -19.043 1.00 0.00 N ATOM 726 CA ASP A 53 -5.448 11.567 -20.093 1.00 0.00 C ATOM 727 C ASP A 53 -6.335 12.699 -19.575 1.00 0.00 C ATOM 728 O ASP A 53 -6.488 13.722 -20.240 1.00 0.00 O ATOM 729 CB ASP A 53 -6.354 10.408 -20.563 1.00 0.00 C ATOM 730 CG ASP A 53 -5.733 9.513 -21.638 1.00 0.00 C ATOM 731 OD1 ASP A 53 -5.083 10.066 -22.551 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.930 8.283 -21.532 1.00 0.00 O ATOM 0 H ASP A 53 -4.182 12.046 -18.539 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.856 11.858 -20.961 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.612 9.793 -19.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.285 10.824 -20.948 1.00 0.00 H new ATOM 737 N GLY A 54 -6.924 12.500 -18.388 1.00 0.00 N ATOM 738 CA GLY A 54 -7.812 13.452 -17.741 1.00 0.00 C ATOM 739 C GLY A 54 -9.272 13.188 -18.125 1.00 0.00 C ATOM 740 O GLY A 54 -9.580 12.098 -18.607 1.00 0.00 O ATOM 0 H GLY A 54 -6.787 11.648 -17.844 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.699 13.384 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.534 14.466 -18.027 1.00 0.00 H new ATOM 744 N PRO A 55 -10.192 14.151 -17.915 1.00 0.00 N ATOM 745 CA PRO A 55 -9.983 15.476 -17.331 1.00 0.00 C ATOM 746 C PRO A 55 -9.379 15.475 -15.920 1.00 0.00 C ATOM 747 O PRO A 55 -9.267 14.437 -15.274 1.00 0.00 O ATOM 748 CB PRO A 55 -11.367 16.137 -17.291 1.00 0.00 C ATOM 749 CG PRO A 55 -12.183 15.380 -18.334 1.00 0.00 C ATOM 750 CD PRO A 55 -11.587 13.973 -18.285 1.00 0.00 C ATOM 0 HA PRO A 55 -9.254 16.008 -17.942 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.816 16.057 -16.301 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.307 17.199 -17.529 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.245 15.377 -18.090 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.085 15.825 -19.324 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.109 13.351 -17.558 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.676 13.476 -19.251 1.00 0.00 H new ATOM 758 N TYR A 56 -8.999 16.666 -15.446 1.00 0.00 N ATOM 759 CA TYR A 56 -8.413 16.895 -14.135 1.00 0.00 C ATOM 760 C TYR A 56 -8.898 18.221 -13.598 1.00 0.00 C ATOM 761 O TYR A 56 -9.676 18.926 -14.237 1.00 0.00 O ATOM 762 CB TYR A 56 -6.873 16.996 -14.276 1.00 0.00 C ATOM 763 CG TYR A 56 -6.169 16.415 -15.495 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.120 17.147 -16.700 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.549 15.155 -15.426 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.451 16.624 -17.821 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.881 14.635 -16.547 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.819 15.371 -17.741 1.00 0.00 C ATOM 769 OH TYR A 56 -4.155 14.867 -18.824 1.00 0.00 O ATOM 0 H TYR A 56 -9.097 17.523 -15.990 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.694 16.077 -13.472 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.614 18.054 -14.229 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.438 16.522 -13.396 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.598 18.113 -16.762 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.586 14.586 -14.509 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.423 17.185 -18.743 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.412 13.664 -16.490 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.323 14.442 -18.529 1.00 0.00 H new ATOM 779 N GLN A 57 -8.402 18.535 -12.401 1.00 0.00 N ATOM 780 CA GLN A 57 -8.719 19.754 -11.710 1.00 0.00 C ATOM 781 C GLN A 57 -7.594 20.126 -10.756 1.00 0.00 C ATOM 782 O GLN A 57 -6.911 19.269 -10.187 1.00 0.00 O ATOM 783 CB GLN A 57 -10.102 19.667 -11.058 1.00 0.00 C ATOM 784 CG GLN A 57 -10.536 18.292 -10.569 1.00 0.00 C ATOM 785 CD GLN A 57 -9.777 17.788 -9.348 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.230 18.567 -8.571 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.759 16.464 -9.180 1.00 0.00 N ATOM 0 H GLN A 57 -7.760 17.930 -11.889 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.790 20.576 -12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.124 20.353 -10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.841 20.023 -11.776 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.600 18.323 -10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.411 17.575 -11.381 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.228 15.858 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.276 16.058 -8.378 1.00 0.00 H new ATOM 796 N GLU A 58 -7.433 21.443 -10.601 1.00 0.00 N ATOM 797 CA GLU A 58 -6.410 22.052 -9.780 1.00 0.00 C ATOM 798 C GLU A 58 -6.781 22.032 -8.309 1.00 0.00 C ATOM 799 O GLU A 58 -7.953 22.096 -7.961 1.00 0.00 O ATOM 800 CB GLU A 58 -6.281 23.523 -10.191 1.00 0.00 C ATOM 801 CG GLU A 58 -5.636 23.770 -11.554 1.00 0.00 C ATOM 802 CD GLU A 58 -6.308 23.049 -12.715 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.431 23.466 -13.080 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.683 22.085 -13.206 1.00 0.00 O ATOM 0 H GLU A 58 -8.034 22.126 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.486 21.492 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.275 23.971 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.698 24.045 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.644 24.841 -11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.592 23.462 -11.508 1.00 0.00 H new ATOM 811 N PHE A 59 -5.761 21.943 -7.453 1.00 0.00 N ATOM 812 CA PHE A 59 -5.896 21.958 -6.010 1.00 0.00 C ATOM 813 C PHE A 59 -4.669 22.718 -5.520 1.00 0.00 C ATOM 814 O PHE A 59 -3.573 22.162 -5.508 1.00 0.00 O ATOM 815 CB PHE A 59 -5.991 20.553 -5.415 1.00 0.00 C ATOM 816 CG PHE A 59 -6.070 20.603 -3.903 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.967 21.499 -3.289 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.268 19.769 -3.099 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.043 21.572 -1.896 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.379 19.842 -1.698 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.255 20.747 -1.099 1.00 0.00 C ATOM 0 H PHE A 59 -4.793 21.856 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.823 22.436 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.871 20.046 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.123 19.968 -5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.598 22.131 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.573 19.079 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.720 22.275 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.779 19.190 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.321 20.807 -0.023 1.00 0.00 H new ATOM 831 N PRO A 60 -4.808 23.976 -5.090 1.00 0.00 N ATOM 832 CA PRO A 60 -3.665 24.757 -4.702 1.00 0.00 C ATOM 833 C PRO A 60 -3.129 24.398 -3.316 1.00 0.00 C ATOM 834 O PRO A 60 -3.889 24.365 -2.348 1.00 0.00 O ATOM 835 CB PRO A 60 -4.150 26.186 -4.865 1.00 0.00 C ATOM 836 CG PRO A 60 -5.601 26.119 -4.396 1.00 0.00 C ATOM 837 CD PRO A 60 -6.031 24.742 -4.913 1.00 0.00 C ATOM 0 HA PRO A 60 -2.783 24.568 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.564 26.881 -4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.077 26.520 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.685 26.194 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.205 26.922 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.699 24.251 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.574 24.831 -5.854 1.00 0.00 H new ATOM 845 N ILE A 61 -1.818 24.126 -3.232 1.00 0.00 N ATOM 846 CA ILE A 61 -1.141 23.776 -1.994 1.00 0.00 C ATOM 847 C ILE A 61 -0.612 25.015 -1.320 1.00 0.00 C ATOM 848 O ILE A 61 -0.727 26.153 -1.773 1.00 0.00 O ATOM 849 CB ILE A 61 -0.044 22.718 -2.193 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.607 21.969 -1.004 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.961 23.111 -3.273 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.015 20.536 -1.365 1.00 0.00 C ATOM 0 H ILE A 61 -1.197 24.146 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.878 23.315 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.687 21.904 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.486 22.520 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.092 21.945 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.713 22.329 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.443 23.238 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.446 24.047 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.466 20.056 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.134 19.974 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.736 20.558 -2.182 1.00 0.00 H new ATOM 864 N LYS A 62 -0.018 24.678 -0.199 1.00 0.00 N ATOM 865 CA LYS A 62 0.616 25.593 0.736 1.00 0.00 C ATOM 866 C LYS A 62 1.594 24.848 1.634 1.00 0.00 C ATOM 867 O LYS A 62 1.376 23.685 1.974 1.00 0.00 O ATOM 868 CB LYS A 62 -0.432 26.343 1.577 1.00 0.00 C ATOM 869 CG LYS A 62 -0.026 27.798 1.847 1.00 0.00 C ATOM 870 CD LYS A 62 -0.315 28.698 0.634 1.00 0.00 C ATOM 871 CE LYS A 62 0.034 30.167 0.905 1.00 0.00 C ATOM 872 NZ LYS A 62 1.483 30.369 1.081 1.00 0.00 N ATOM 0 H LYS A 62 0.042 23.707 0.106 1.00 0.00 H new ATOM 0 HA LYS A 62 1.172 26.332 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.391 26.325 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.572 25.825 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.567 28.172 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.036 27.842 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.256 28.343 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.369 28.620 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.319 30.782 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.490 30.505 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.681 31.384 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.805 29.857 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.988 30.009 0.246 1.00 0.00 H new ATOM 886 N SER A 63 2.666 25.543 2.021 1.00 0.00 N ATOM 887 CA SER A 63 3.712 25.031 2.893 1.00 0.00 C ATOM 888 C SER A 63 3.374 25.414 4.334 1.00 0.00 C ATOM 889 O SER A 63 4.157 26.070 5.020 1.00 0.00 O ATOM 890 CB SER A 63 5.071 25.569 2.433 1.00 0.00 C ATOM 891 OG SER A 63 5.094 26.981 2.476 1.00 0.00 O ATOM 0 H SER A 63 2.830 26.505 1.725 1.00 0.00 H new ATOM 0 HA SER A 63 3.773 23.944 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.860 25.169 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.277 25.228 1.418 1.00 0.00 H new ATOM 0 HG SER A 63 4.909 27.284 3.390 1.00 0.00 H new ATOM 897 N GLY A 64 2.184 24.997 4.784 1.00 0.00 N ATOM 898 CA GLY A 64 1.678 25.272 6.117 1.00 0.00 C ATOM 899 C GLY A 64 0.285 24.671 6.267 1.00 0.00 C ATOM 900 O GLY A 64 -0.670 25.387 6.564 1.00 0.00 O ATOM 0 H GLY A 64 1.540 24.449 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.349 24.852 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.642 26.348 6.289 1.00 0.00 H new ATOM 904 N GLY A 65 0.174 23.352 6.050 1.00 0.00 N ATOM 905 CA GLY A 65 -1.071 22.612 6.161 1.00 0.00 C ATOM 906 C GLY A 65 -1.889 22.673 4.871 1.00 0.00 C ATOM 907 O GLY A 65 -1.774 23.619 4.094 1.00 0.00 O ATOM 0 H GLY A 65 0.968 22.768 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.854 21.572 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.661 23.016 6.984 1.00 0.00 H new ATOM 911 N VAL A 66 -2.714 21.638 4.653 1.00 0.00 N ATOM 912 CA VAL A 66 -3.593 21.512 3.496 1.00 0.00 C ATOM 913 C VAL A 66 -4.698 22.571 3.588 1.00 0.00 C ATOM 914 O VAL A 66 -5.102 22.920 4.695 1.00 0.00 O ATOM 915 CB VAL A 66 -4.130 20.070 3.416 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.102 19.731 4.556 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.821 19.806 2.077 1.00 0.00 C ATOM 0 H VAL A 66 -2.785 20.850 5.296 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.052 21.696 2.568 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.256 19.426 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.447 18.703 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.593 19.843 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.957 20.406 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.188 18.780 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.658 20.494 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.110 19.956 1.265 1.00 0.00 H new ATOM 927 N TYR A 67 -5.161 23.070 2.429 1.00 0.00 N ATOM 928 CA TYR A 67 -6.182 24.102 2.215 1.00 0.00 C ATOM 929 C TYR A 67 -6.328 25.161 3.319 1.00 0.00 C ATOM 930 O TYR A 67 -7.437 25.509 3.717 1.00 0.00 O ATOM 931 CB TYR A 67 -7.498 23.547 1.625 1.00 0.00 C ATOM 932 CG TYR A 67 -8.616 22.992 2.505 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.431 22.657 3.861 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.886 22.809 1.922 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.504 22.159 4.623 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.955 22.299 2.680 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.766 21.975 4.034 1.00 0.00 C ATOM 938 OH TYR A 67 -11.806 21.491 4.774 1.00 0.00 O ATOM 0 H TYR A 67 -4.795 22.728 1.540 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.767 24.719 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.937 24.348 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.220 22.752 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.461 22.783 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.040 23.063 0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.357 21.917 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.922 22.156 2.221 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.606 21.427 4.211 1.00 0.00 H new ATOM 948 N THR A 68 -5.186 25.671 3.800 1.00 0.00 N ATOM 949 CA THR A 68 -5.086 26.695 4.832 1.00 0.00 C ATOM 950 C THR A 68 -3.931 27.621 4.447 1.00 0.00 C ATOM 951 O THR A 68 -2.769 27.226 4.524 1.00 0.00 O ATOM 952 CB THR A 68 -4.871 26.066 6.222 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.833 25.108 6.199 1.00 0.00 O ATOM 954 CG2 THR A 68 -6.154 25.420 6.763 1.00 0.00 C ATOM 0 H THR A 68 -4.273 25.365 3.463 1.00 0.00 H new ATOM 0 HA THR A 68 -6.014 27.263 4.897 1.00 0.00 H new ATOM 0 HB THR A 68 -4.587 26.880 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.135 24.310 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.958 24.989 7.745 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.934 26.176 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.482 24.636 6.081 1.00 0.00 H new ATOM 962 N GLY A 69 -4.257 28.848 4.024 1.00 0.00 N ATOM 963 CA GLY A 69 -3.264 29.826 3.611 1.00 0.00 C ATOM 964 C GLY A 69 -3.908 31.144 3.182 1.00 0.00 C ATOM 965 O GLY A 69 -5.125 31.311 3.252 1.00 0.00 O ATOM 0 H GLY A 69 -5.218 29.183 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.572 30.010 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.678 29.422 2.785 1.00 0.00 H new ATOM 969 N GLY A 70 -3.062 32.080 2.738 1.00 0.00 N ATOM 970 CA GLY A 70 -3.450 33.399 2.265 1.00 0.00 C ATOM 971 C GLY A 70 -2.258 34.057 1.574 1.00 0.00 C ATOM 972 O GLY A 70 -1.120 33.637 1.789 1.00 0.00 O ATOM 0 H GLY A 70 -2.054 31.927 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.288 33.318 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.786 34.014 3.100 1.00 0.00 H new ATOM 976 N SER A 71 -2.530 35.074 0.739 1.00 0.00 N ATOM 977 CA SER A 71 -1.551 35.835 -0.040 1.00 0.00 C ATOM 978 C SER A 71 -1.005 34.975 -1.194 1.00 0.00 C ATOM 979 O SER A 71 -0.881 33.763 -1.022 1.00 0.00 O ATOM 980 CB SER A 71 -0.437 36.382 0.872 1.00 0.00 C ATOM 981 OG SER A 71 0.379 37.310 0.196 1.00 0.00 O ATOM 0 H SER A 71 -3.484 35.399 0.585 1.00 0.00 H new ATOM 0 HA SER A 71 -2.041 36.700 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.882 36.857 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.175 35.556 1.235 1.00 0.00 H new ATOM 0 HG SER A 71 1.074 37.638 0.804 1.00 0.00 H new ATOM 987 N PRO A 72 -0.684 35.554 -2.370 1.00 0.00 N ATOM 988 CA PRO A 72 -0.077 34.841 -3.490 1.00 0.00 C ATOM 989 C PRO A 72 1.028 33.865 -3.073 1.00 0.00 C ATOM 990 O PRO A 72 2.100 34.280 -2.635 1.00 0.00 O ATOM 991 CB PRO A 72 0.434 35.924 -4.443 1.00 0.00 C ATOM 992 CG PRO A 72 -0.581 37.043 -4.234 1.00 0.00 C ATOM 993 CD PRO A 72 -0.895 36.947 -2.740 1.00 0.00 C ATOM 0 HA PRO A 72 -0.814 34.197 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.447 36.241 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.453 35.580 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.168 38.017 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.473 36.898 -4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.246 37.606 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.921 37.253 -2.537 1.00 0.00 H new ATOM 1001 N GLY A 73 0.737 32.565 -3.211 1.00 0.00 N ATOM 1002 CA GLY A 73 1.613 31.456 -2.872 1.00 0.00 C ATOM 1003 C GLY A 73 2.199 30.880 -4.158 1.00 0.00 C ATOM 1004 O GLY A 73 3.369 30.502 -4.189 1.00 0.00 O ATOM 0 H GLY A 73 -0.161 32.252 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.412 31.794 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.058 30.688 -2.333 1.00 0.00 H new ATOM 1008 N ALA A 74 1.363 30.814 -5.205 1.00 0.00 N ATOM 1009 CA ALA A 74 1.678 30.335 -6.542 1.00 0.00 C ATOM 1010 C ALA A 74 1.881 28.833 -6.677 1.00 0.00 C ATOM 1011 O ALA A 74 1.919 28.381 -7.812 1.00 0.00 O ATOM 1012 CB ALA A 74 2.877 31.065 -7.133 1.00 0.00 C ATOM 0 H ALA A 74 0.391 31.114 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 74 0.776 30.564 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.081 30.680 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.660 32.132 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.749 30.907 -6.498 1.00 0.00 H new ATOM 1018 N ASP A 75 2.009 28.061 -5.587 1.00 0.00 N ATOM 1019 CA ASP A 75 2.233 26.619 -5.652 1.00 0.00 C ATOM 1020 C ASP A 75 0.924 25.826 -5.698 1.00 0.00 C ATOM 1021 O ASP A 75 0.060 25.993 -4.835 1.00 0.00 O ATOM 1022 CB ASP A 75 3.039 26.170 -4.426 1.00 0.00 C ATOM 1023 CG ASP A 75 4.350 26.936 -4.257 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.234 26.757 -5.120 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.447 27.685 -3.261 1.00 0.00 O ATOM 0 H ASP A 75 1.959 28.426 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 75 2.780 26.419 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.431 26.301 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.256 25.105 -4.511 1.00 0.00 H new ATOM 1030 N ARG A 76 0.785 24.951 -6.705 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.392 24.116 -6.864 1.00 0.00 C ATOM 1032 C ARG A 76 -0.056 22.677 -7.237 1.00 0.00 C ATOM 1033 O ARG A 76 0.914 22.414 -7.944 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.330 24.646 -7.960 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.777 26.110 -7.848 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.047 26.266 -8.703 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.322 27.639 -9.150 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.588 28.725 -8.402 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.523 28.707 -7.065 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.924 29.865 -9.022 1.00 0.00 N ATOM 0 H ARG A 76 1.492 24.810 -7.427 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.876 24.144 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.834 24.516 -8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.222 24.020 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.978 26.372 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.992 26.780 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.960 25.624 -9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.901 25.907 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.310 27.788 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.264 27.849 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.732 29.552 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.974 29.896 -10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.130 30.701 -8.475 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.879 21.751 -6.732 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.808 20.327 -7.012 1.00 0.00 C ATOM 1056 C VAL A 77 -2.060 20.096 -7.854 1.00 0.00 C ATOM 1057 O VAL A 77 -3.058 20.797 -7.694 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.727 19.427 -5.771 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.638 19.577 -5.094 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.838 19.666 -4.745 1.00 0.00 C ATOM 0 H VAL A 77 -1.638 21.990 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 77 0.116 20.053 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.864 18.410 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.681 18.933 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.424 19.291 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.782 20.614 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.705 18.989 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.793 20.697 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.807 19.482 -5.209 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.030 19.126 -8.762 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.158 18.877 -9.640 1.00 0.00 C ATOM 1072 C VAL A 78 -3.437 17.378 -9.689 1.00 0.00 C ATOM 1073 O VAL A 78 -2.536 16.586 -9.959 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.835 19.535 -10.996 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -3.988 19.363 -11.993 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.539 21.044 -10.813 1.00 0.00 C ATOM 0 H VAL A 78 -1.236 18.502 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.088 19.321 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.952 19.036 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.726 19.839 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.170 18.301 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.889 19.826 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.313 21.491 -11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.410 21.536 -10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.685 21.169 -10.148 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.700 17.012 -9.417 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.182 15.636 -9.385 1.00 0.00 C ATOM 1088 C ILE A 79 -6.173 15.445 -10.531 1.00 0.00 C ATOM 1089 O ILE A 79 -6.754 16.411 -11.020 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.816 15.283 -8.023 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.789 16.362 -7.530 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.773 15.041 -6.930 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.770 15.776 -6.508 1.00 0.00 C ATOM 0 H ILE A 79 -5.431 17.692 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.340 14.955 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.364 14.358 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.232 17.183 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.339 16.777 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.276 14.797 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.126 14.213 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.172 15.940 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.452 16.556 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.340 14.971 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.216 15.384 -5.655 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.371 14.187 -10.940 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.249 13.822 -12.034 1.00 0.00 C ATOM 1107 C ASN A 80 -8.687 13.828 -11.546 1.00 0.00 C ATOM 1108 O ASN A 80 -8.937 13.976 -10.350 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.823 12.488 -12.672 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.006 11.250 -11.791 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -7.712 11.271 -10.787 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.355 10.150 -12.179 1.00 0.00 N ATOM 0 H ASN A 80 -5.912 13.386 -10.505 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.171 14.560 -12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.392 12.346 -13.591 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.773 12.559 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.436 9.291 -11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.777 10.169 -13.019 1.00 0.00 H new ATOM 1119 N THR A 81 -9.629 13.653 -12.475 1.00 0.00 N ATOM 1120 CA THR A 81 -11.043 13.673 -12.165 1.00 0.00 C ATOM 1121 C THR A 81 -11.582 12.412 -11.500 1.00 0.00 C ATOM 1122 O THR A 81 -12.747 12.062 -11.682 1.00 0.00 O ATOM 1123 CB THR A 81 -11.817 14.216 -13.381 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.099 14.718 -13.094 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.964 13.134 -14.435 1.00 0.00 C ATOM 0 H THR A 81 -9.423 13.494 -13.461 1.00 0.00 H new ATOM 0 HA THR A 81 -11.216 14.375 -11.350 1.00 0.00 H new ATOM 0 HB THR A 81 -11.218 15.055 -13.735 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.250 14.696 -12.126 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.513 13.530 -15.289 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.977 12.805 -14.759 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.508 12.288 -14.015 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.737 11.719 -10.730 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.143 10.555 -9.993 1.00 0.00 C ATOM 1135 C ASN A 82 -10.649 10.890 -8.592 1.00 0.00 C ATOM 1136 O ASN A 82 -11.413 11.336 -7.738 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.540 9.265 -10.582 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.149 8.858 -11.925 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.327 9.685 -12.818 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.462 7.569 -12.078 1.00 0.00 N ATOM 0 H ASN A 82 -9.754 11.963 -10.611 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.213 10.348 -10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.466 9.401 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.678 8.452 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.863 7.242 -12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.300 6.911 -11.316 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.350 10.671 -8.400 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.620 10.869 -7.152 1.00 0.00 C ATOM 1149 C CYS A 83 -7.089 10.907 -7.259 1.00 0.00 C ATOM 1150 O CYS A 83 -6.436 11.428 -6.356 1.00 0.00 O ATOM 1151 CB CYS A 83 -9.044 9.782 -6.149 1.00 0.00 C ATOM 1152 SG CYS A 83 -10.337 10.283 -4.986 1.00 0.00 S ATOM 0 H CYS A 83 -8.748 10.333 -9.151 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.891 11.870 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.392 8.911 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -8.167 9.469 -5.582 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.512 10.383 -8.349 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.059 10.254 -8.484 1.00 0.00 C ATOM 1159 C GLU A 84 -4.289 11.470 -8.994 1.00 0.00 C ATOM 1160 O GLU A 84 -4.734 12.147 -9.911 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.742 9.015 -9.342 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.511 8.267 -8.816 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.175 7.067 -9.697 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.914 6.064 -9.595 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.188 7.171 -10.458 1.00 0.00 O ATOM 0 H GLU A 84 -7.036 10.040 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.698 10.152 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.602 8.345 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.570 9.320 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.658 8.945 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.695 7.932 -7.795 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.116 11.725 -8.392 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.212 12.815 -8.743 1.00 0.00 C ATOM 1174 C TYR A 85 -1.863 12.714 -10.229 1.00 0.00 C ATOM 1175 O TYR A 85 -1.482 11.649 -10.714 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.984 12.769 -7.817 1.00 0.00 C ATOM 1177 CG TYR A 85 0.215 13.624 -8.222 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.039 13.220 -9.292 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.520 14.815 -7.531 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.137 14.005 -9.683 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.619 15.598 -7.927 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.432 15.194 -8.998 1.00 0.00 C ATOM 1183 OH TYR A 85 3.504 15.951 -9.374 1.00 0.00 O ATOM 0 H TYR A 85 -2.766 11.155 -7.622 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.681 13.788 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.299 13.076 -6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.653 11.733 -7.742 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.825 12.300 -9.815 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.091 15.126 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.755 13.693 -10.512 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.839 16.517 -7.404 1.00 0.00 H new ATOM 0 HH TYR A 85 3.565 16.741 -8.797 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.015 13.840 -10.938 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.734 13.981 -12.356 1.00 0.00 C ATOM 1195 C ALA A 86 -0.405 14.718 -12.528 1.00 0.00 C ATOM 1196 O ALA A 86 0.430 14.307 -13.331 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.891 14.728 -13.028 1.00 0.00 C ATOM 0 H ALA A 86 -2.350 14.706 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.645 13.005 -12.832 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.685 14.836 -14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.815 14.165 -12.893 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.998 15.715 -12.577 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.213 15.801 -11.763 1.00 0.00 N ATOM 1204 CA GLY A 87 1.003 16.589 -11.809 1.00 0.00 C ATOM 1205 C GLY A 87 0.992 17.698 -10.761 1.00 0.00 C ATOM 1206 O GLY A 87 0.237 17.644 -9.791 1.00 0.00 O ATOM 0 H GLY A 87 -0.904 16.147 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.864 15.941 -11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.117 17.026 -12.801 1.00 0.00 H new ATOM 1210 N ALA A 88 1.851 18.701 -10.970 1.00 0.00 N ATOM 1211 CA ALA A 88 2.006 19.864 -10.118 1.00 0.00 C ATOM 1212 C ALA A 88 2.600 21.001 -10.945 1.00 0.00 C ATOM 1213 O ALA A 88 3.375 20.761 -11.872 1.00 0.00 O ATOM 1214 CB ALA A 88 2.896 19.525 -8.919 1.00 0.00 C ATOM 0 H ALA A 88 2.479 18.716 -11.773 1.00 0.00 H new ATOM 0 HA ALA A 88 1.037 20.177 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.005 20.406 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.440 18.719 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.877 19.208 -9.272 1.00 0.00 H new ATOM 1220 N ILE A 89 2.233 22.240 -10.595 1.00 0.00 N ATOM 1221 CA ILE A 89 2.663 23.458 -11.267 1.00 0.00 C ATOM 1222 C ILE A 89 2.881 24.578 -10.245 1.00 0.00 C ATOM 1223 O ILE A 89 2.440 24.468 -9.103 1.00 0.00 O ATOM 1224 CB ILE A 89 1.602 23.857 -12.317 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.229 24.115 -11.666 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.488 22.784 -13.410 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.850 24.537 -12.666 1.00 0.00 C ATOM 0 H ILE A 89 1.608 22.421 -9.810 1.00 0.00 H new ATOM 0 HA ILE A 89 3.612 23.285 -11.775 1.00 0.00 H new ATOM 0 HB ILE A 89 1.931 24.789 -12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.097 23.211 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.335 24.891 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.735 23.085 -14.139 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.450 22.669 -13.909 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.197 21.835 -12.959 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.790 24.702 -12.139 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.546 25.459 -13.162 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.984 23.752 -13.410 1.00 0.00 H new ATOM 1239 N THR A 90 3.572 25.653 -10.648 1.00 0.00 N ATOM 1240 CA THR A 90 3.830 26.799 -9.783 1.00 0.00 C ATOM 1241 C THR A 90 4.173 28.053 -10.591 1.00 0.00 C ATOM 1242 O THR A 90 4.504 27.937 -11.768 1.00 0.00 O ATOM 1243 CB THR A 90 4.953 26.484 -8.782 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.176 27.588 -7.929 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.270 26.116 -9.481 1.00 0.00 C ATOM 0 H THR A 90 3.966 25.747 -11.584 1.00 0.00 H new ATOM 0 HA THR A 90 2.913 27.001 -9.229 1.00 0.00 H new ATOM 0 HB THR A 90 4.624 25.622 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.189 27.284 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.032 25.902 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.117 25.235 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.597 26.949 -10.103 1.00 0.00 H new ATOM 1253 N HIS A 91 4.090 29.248 -9.974 1.00 0.00 N ATOM 1254 CA HIS A 91 4.468 30.472 -10.691 1.00 0.00 C ATOM 1255 C HIS A 91 5.993 30.574 -10.691 1.00 0.00 C ATOM 1256 O HIS A 91 6.597 30.648 -11.758 1.00 0.00 O ATOM 1257 CB HIS A 91 3.949 31.818 -10.145 1.00 0.00 C ATOM 1258 CG HIS A 91 2.473 32.062 -10.296 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.901 33.323 -10.223 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.429 31.205 -10.510 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.576 33.165 -10.387 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.225 31.894 -10.568 1.00 0.00 N ATOM 0 H HIS A 91 3.775 29.387 -9.014 1.00 0.00 H new ATOM 0 HA HIS A 91 4.000 30.350 -11.668 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.202 31.880 -9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.484 32.623 -10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.528 30.135 -10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.129 33.983 -10.373 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.710 31.515 -10.715 1.00 0.00 H new ATOM 1270 N THR A 92 6.595 30.563 -9.488 1.00 0.00 N ATOM 1271 CA THR A 92 8.018 30.686 -9.186 1.00 0.00 C ATOM 1272 C THR A 92 8.745 31.857 -9.872 1.00 0.00 C ATOM 1273 O THR A 92 9.972 31.933 -9.838 1.00 0.00 O ATOM 1274 CB THR A 92 8.709 29.328 -9.297 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.965 29.379 -8.653 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.908 28.897 -10.744 1.00 0.00 C ATOM 0 H THR A 92 6.045 30.459 -8.635 1.00 0.00 H new ATOM 0 HA THR A 92 8.090 30.992 -8.142 1.00 0.00 H new ATOM 0 HB THR A 92 8.061 28.595 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.437 30.195 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.403 27.926 -10.770 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.939 28.824 -11.238 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.525 29.632 -11.261 1.00 0.00 H new ATOM 1284 N GLY A 93 7.986 32.771 -10.484 1.00 0.00 N ATOM 1285 CA GLY A 93 8.452 33.945 -11.191 1.00 0.00 C ATOM 1286 C GLY A 93 7.577 34.095 -12.430 1.00 0.00 C ATOM 1287 O GLY A 93 6.952 35.135 -12.630 1.00 0.00 O ATOM 0 H GLY A 93 6.969 32.697 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.380 34.830 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.500 33.837 -11.470 1.00 0.00 H new ATOM 1291 N ALA A 94 7.539 33.027 -13.241 1.00 0.00 N ATOM 1292 CA ALA A 94 6.797 32.914 -14.494 1.00 0.00 C ATOM 1293 C ALA A 94 7.097 34.077 -15.451 1.00 0.00 C ATOM 1294 O ALA A 94 8.029 34.850 -15.228 1.00 0.00 O ATOM 1295 CB ALA A 94 5.300 32.755 -14.185 1.00 0.00 C ATOM 0 H ALA A 94 8.056 32.175 -13.023 1.00 0.00 H new ATOM 0 HA ALA A 94 7.127 32.022 -15.026 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.743 32.670 -15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.145 31.857 -13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.949 33.625 -13.630 1.00 0.00 H new ATOM 1301 N SER A 95 6.318 34.202 -16.534 1.00 0.00 N ATOM 1302 CA SER A 95 6.485 35.276 -17.504 1.00 0.00 C ATOM 1303 C SER A 95 5.761 36.528 -16.999 1.00 0.00 C ATOM 1304 O SER A 95 6.296 37.629 -17.103 1.00 0.00 O ATOM 1305 CB SER A 95 5.978 34.841 -18.883 1.00 0.00 C ATOM 1306 OG SER A 95 6.344 35.802 -19.850 1.00 0.00 O ATOM 0 H SER A 95 5.558 33.559 -16.756 1.00 0.00 H new ATOM 0 HA SER A 95 7.544 35.511 -17.614 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.397 33.870 -19.145 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.894 34.726 -18.863 1.00 0.00 H new ATOM 0 HG SER A 95 6.020 35.520 -20.731 1.00 0.00 H new ATOM 1312 N GLY A 96 4.550 36.349 -16.449 1.00 0.00 N ATOM 1313 CA GLY A 96 3.731 37.421 -15.905 1.00 0.00 C ATOM 1314 C GLY A 96 2.911 36.895 -14.729 1.00 0.00 C ATOM 1315 O GLY A 96 3.272 37.121 -13.575 1.00 0.00 O ATOM 0 H GLY A 96 4.112 35.431 -16.373 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.364 38.246 -15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.068 37.813 -16.677 1.00 0.00 H new ATOM 1319 N ASN A 97 1.804 36.207 -15.036 1.00 0.00 N ATOM 1320 CA ASN A 97 0.882 35.618 -14.066 1.00 0.00 C ATOM 1321 C ASN A 97 0.577 34.152 -14.397 1.00 0.00 C ATOM 1322 O ASN A 97 -0.224 33.524 -13.704 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.418 36.433 -14.041 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.180 37.891 -13.649 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.154 38.220 -12.465 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.008 38.766 -14.645 1.00 0.00 N ATOM 0 H ASN A 97 1.519 36.041 -16.001 1.00 0.00 H new ATOM 0 HA ASN A 97 1.355 35.643 -13.084 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.887 36.395 -15.024 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.116 35.979 -13.337 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.153 39.751 -14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.037 38.448 -15.614 1.00 0.00 H new ATOM 1333 N ASN A 98 1.214 33.602 -15.440 1.00 0.00 N ATOM 1334 CA ASN A 98 1.030 32.234 -15.903 1.00 0.00 C ATOM 1335 C ASN A 98 1.680 31.221 -14.953 1.00 0.00 C ATOM 1336 O ASN A 98 2.113 31.569 -13.854 1.00 0.00 O ATOM 1337 CB ASN A 98 1.585 32.129 -17.331 1.00 0.00 C ATOM 1338 CG ASN A 98 3.091 32.375 -17.359 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.528 33.516 -17.225 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.886 31.312 -17.518 1.00 0.00 N ATOM 0 H ASN A 98 1.892 34.121 -15.998 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.032 31.989 -15.912 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.368 31.141 -17.736 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.084 32.854 -17.973 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.899 31.430 -17.532 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.480 30.383 -17.626 1.00 0.00 H new ATOM 1347 N PHE A 99 1.746 29.962 -15.402 1.00 0.00 N ATOM 1348 CA PHE A 99 2.300 28.843 -14.661 1.00 0.00 C ATOM 1349 C PHE A 99 3.353 28.087 -15.461 1.00 0.00 C ATOM 1350 O PHE A 99 3.357 28.104 -16.691 1.00 0.00 O ATOM 1351 CB PHE A 99 1.155 27.879 -14.320 1.00 0.00 C ATOM 1352 CG PHE A 99 0.457 28.236 -13.031 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.587 29.177 -13.004 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.867 27.606 -11.845 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.204 29.500 -11.782 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.253 27.925 -10.628 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.772 28.882 -10.594 1.00 0.00 C ATOM 0 H PHE A 99 1.401 29.694 -16.324 1.00 0.00 H new ATOM 0 HA PHE A 99 2.781 29.233 -13.764 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.430 27.881 -15.134 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.549 26.865 -14.246 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.914 29.650 -13.918 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.659 26.872 -11.872 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.008 30.221 -11.756 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.568 27.436 -9.718 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.231 29.145 -9.653 1.00 0.00 H new ATOM 1367 N VAL A 100 4.250 27.436 -14.712 1.00 0.00 N ATOM 1368 CA VAL A 100 5.330 26.596 -15.202 1.00 0.00 C ATOM 1369 C VAL A 100 5.255 25.276 -14.439 1.00 0.00 C ATOM 1370 O VAL A 100 4.624 25.184 -13.386 1.00 0.00 O ATOM 1371 CB VAL A 100 6.716 27.246 -15.087 1.00 0.00 C ATOM 1372 CG1 VAL A 100 6.831 28.402 -16.080 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.056 27.709 -13.671 1.00 0.00 C ATOM 0 H VAL A 100 4.234 27.489 -13.693 1.00 0.00 H new ATOM 0 HA VAL A 100 5.200 26.436 -16.272 1.00 0.00 H new ATOM 0 HB VAL A 100 7.448 26.476 -15.331 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.817 28.859 -15.994 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.693 28.026 -17.094 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.065 29.147 -15.862 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.049 28.158 -13.664 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.322 28.445 -13.343 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.040 26.854 -12.995 1.00 0.00 H new ATOM 1383 N GLY A 101 5.919 24.257 -14.981 1.00 0.00 N ATOM 1384 CA GLY A 101 5.937 22.923 -14.405 1.00 0.00 C ATOM 1385 C GLY A 101 6.790 22.839 -13.139 1.00 0.00 C ATOM 1386 O GLY A 101 7.787 23.548 -13.009 1.00 0.00 O ATOM 0 H GLY A 101 6.463 24.340 -15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.917 22.619 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.319 22.218 -15.143 1.00 0.00 H new ATOM 1390 N CYS A 102 6.381 21.973 -12.201 1.00 0.00 N ATOM 1391 CA CYS A 102 7.087 21.733 -10.945 1.00 0.00 C ATOM 1392 C CYS A 102 8.257 20.784 -11.250 1.00 0.00 C ATOM 1393 O CYS A 102 8.413 20.360 -12.396 1.00 0.00 O ATOM 1394 CB CYS A 102 6.102 21.108 -9.947 1.00 0.00 C ATOM 1395 SG CYS A 102 6.420 21.310 -8.174 1.00 0.00 S ATOM 0 H CYS A 102 5.535 21.412 -12.301 1.00 0.00 H new ATOM 0 HA CYS A 102 7.476 22.653 -10.508 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.114 21.519 -10.155 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.053 20.039 -10.155 1.00 0.00 H new ATOM 1400 N SER A 103 9.079 20.426 -10.253 1.00 0.00 N ATOM 1401 CA SER A 103 10.218 19.540 -10.494 1.00 0.00 C ATOM 1402 C SER A 103 9.790 18.101 -10.222 1.00 0.00 C ATOM 1403 O SER A 103 9.728 17.683 -9.071 1.00 0.00 O ATOM 1404 CB SER A 103 11.434 19.941 -9.654 1.00 0.00 C ATOM 1405 OG SER A 103 11.820 21.266 -9.949 1.00 0.00 O ATOM 0 H SER A 103 8.976 20.733 -9.286 1.00 0.00 H new ATOM 0 HA SER A 103 10.528 19.628 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.197 19.852 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.262 19.261 -9.854 1.00 0.00 H new ATOM 0 HG SER A 103 11.330 21.886 -9.370 1.00 0.00 H new ATOM 1411 N GLY A 104 9.494 17.350 -11.289 1.00 0.00 N ATOM 1412 CA GLY A 104 9.053 15.967 -11.210 1.00 0.00 C ATOM 1413 C GLY A 104 7.529 15.955 -11.257 1.00 0.00 C ATOM 1414 O GLY A 104 6.875 15.763 -10.232 1.00 0.00 O ATOM 0 H GLY A 104 9.558 17.700 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.464 15.388 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.410 15.505 -10.289 1.00 0.00 H new ATOM 1418 N THR A 105 6.985 16.174 -12.461 1.00 0.00 N ATOM 1419 CA THR A 105 5.555 16.227 -12.749 1.00 0.00 C ATOM 1420 C THR A 105 5.208 15.434 -14.014 1.00 0.00 C ATOM 1421 O THR A 105 4.256 15.736 -14.733 1.00 0.00 O ATOM 1422 CB THR A 105 5.135 17.701 -12.813 1.00 0.00 C ATOM 1423 OG1 THR A 105 3.753 17.840 -13.060 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.930 18.392 -13.917 1.00 0.00 C ATOM 0 H THR A 105 7.557 16.325 -13.292 1.00 0.00 H new ATOM 0 HA THR A 105 4.986 15.744 -11.955 1.00 0.00 H new ATOM 0 HB THR A 105 5.343 18.162 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.465 17.158 -13.702 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.640 19.441 -13.972 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.995 18.321 -13.697 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.724 17.908 -14.872 1.00 0.00 H new ATOM 1432 N ASN A 106 6.008 14.400 -14.256 1.00 0.00 N ATOM 1433 CA ASN A 106 5.914 13.494 -15.391 1.00 0.00 C ATOM 1434 C ASN A 106 6.520 12.129 -15.041 1.00 0.00 C ATOM 1435 O ASN A 106 6.743 11.885 -13.835 1.00 0.00 O ATOM 1436 CB ASN A 106 6.597 14.133 -16.610 1.00 0.00 C ATOM 1437 CG ASN A 106 8.068 14.457 -16.347 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.393 15.564 -15.921 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.957 13.493 -16.600 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.591 11.293 -15.968 1.00 0.00 O ATOM 0 H ASN A 106 6.779 14.161 -13.632 1.00 0.00 H new ATOM 0 HA ASN A 106 4.867 13.322 -15.640 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.523 13.456 -17.461 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.069 15.047 -16.882 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.950 13.661 -16.440 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.643 12.589 -16.953 1.00 0.00 H new TER 1447 ASN A 106