USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.52!) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.216 USER MOD Set 2.2: A 41 THR OG1 : rot -25:sc= 0.245 USER MOD Set 3.1: A 12 SER OG : rot -170:sc= 0.0863 USER MOD Set 3.2: A 15 GLN : amide:sc= 0 X(o=0.086,f=0.2) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 10 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.33) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 147:sc= -0.871 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 15:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.51) USER MOD Single : A 29 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.068) USER MOD Single : A 32 THR OG1 : rot 49:sc= 0.151 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 10:sc= 0.406 USER MOD Single : A 37 THR OG1 : rot -39:sc= 0.406 USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00486 USER MOD Single : A 40 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.018) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 4:sc= 0.51 USER MOD Single : A 57 GLN : amide:sc= -0.6 K(o=-0.6,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0366) USER MOD Single : A 63 SER OG : rot -56:sc= 0.248 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.37) USER MOD Single : A 81 THR OG1 : rot -25:sc= 0.63 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 85 TYR OH : rot -130:sc= -0.637 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-3.5!) USER MOD Single : A 92 THR OG1 : rot -46:sc= 0.405 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= 0.233 X(o=0.23,f=0) USER MOD Single : A 103 SER OG : rot 61:sc= 0.392 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.828 12.245 -6.891 1.00 0.00 N ATOM 16 CA SER A 2 6.408 11.907 -5.601 1.00 0.00 C ATOM 17 C SER A 2 7.764 12.608 -5.499 1.00 0.00 C ATOM 18 O SER A 2 8.784 12.075 -5.930 1.00 0.00 O ATOM 19 CB SER A 2 6.540 10.378 -5.524 1.00 0.00 C ATOM 20 OG SER A 2 7.340 9.976 -4.432 1.00 0.00 O ATOM 0 HA SER A 2 5.788 12.236 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.550 9.932 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.975 10.003 -6.451 1.00 0.00 H new ATOM 0 HG SER A 2 7.401 8.998 -4.413 1.00 0.00 H new ATOM 26 N ALA A 3 7.700 13.816 -4.911 1.00 0.00 N ATOM 27 CA ALA A 3 8.734 14.807 -4.640 1.00 0.00 C ATOM 28 C ALA A 3 8.466 15.999 -5.559 1.00 0.00 C ATOM 29 O ALA A 3 8.839 15.966 -6.730 1.00 0.00 O ATOM 30 CB ALA A 3 10.158 14.258 -4.773 1.00 0.00 C ATOM 0 H ALA A 3 6.799 14.155 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 3 8.680 15.116 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.875 15.050 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.299 13.439 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.314 13.894 -5.788 1.00 0.00 H new ATOM 36 N THR A 4 7.812 17.042 -5.025 1.00 0.00 N ATOM 37 CA THR A 4 7.448 18.257 -5.748 1.00 0.00 C ATOM 38 C THR A 4 8.314 19.442 -5.326 1.00 0.00 C ATOM 39 O THR A 4 8.010 20.109 -4.338 1.00 0.00 O ATOM 40 CB THR A 4 5.965 18.608 -5.513 1.00 0.00 C ATOM 41 OG1 THR A 4 5.571 18.267 -4.207 1.00 0.00 O ATOM 42 CG2 THR A 4 5.013 17.910 -6.473 1.00 0.00 C ATOM 0 H THR A 4 7.516 17.058 -4.049 1.00 0.00 H new ATOM 0 HA THR A 4 7.615 18.061 -6.807 1.00 0.00 H new ATOM 0 HB THR A 4 5.900 19.683 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.900 18.907 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.988 18.205 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.256 18.194 -7.497 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.112 16.830 -6.363 1.00 0.00 H new ATOM 50 N THR A 5 9.399 19.707 -6.064 1.00 0.00 N ATOM 51 CA THR A 5 10.283 20.820 -5.827 1.00 0.00 C ATOM 52 C THR A 5 9.864 21.802 -6.924 1.00 0.00 C ATOM 53 O THR A 5 10.246 21.686 -8.088 1.00 0.00 O ATOM 54 CB THR A 5 11.738 20.325 -5.812 1.00 0.00 C ATOM 55 OG1 THR A 5 12.115 20.087 -4.473 1.00 0.00 O ATOM 56 CG2 THR A 5 12.690 21.333 -6.434 1.00 0.00 C ATOM 0 H THR A 5 9.680 19.131 -6.858 1.00 0.00 H new ATOM 0 HA THR A 5 10.217 21.322 -4.862 1.00 0.00 H new ATOM 0 HB THR A 5 11.797 19.412 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.041 19.769 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.707 20.941 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.403 21.513 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.644 22.269 -5.877 1.00 0.00 H new ATOM 64 N CYS A 6 9.044 22.774 -6.517 1.00 0.00 N ATOM 65 CA CYS A 6 8.474 23.810 -7.358 1.00 0.00 C ATOM 66 C CYS A 6 9.387 25.034 -7.336 1.00 0.00 C ATOM 67 O CYS A 6 9.137 25.999 -6.613 1.00 0.00 O ATOM 68 CB CYS A 6 7.050 24.081 -6.848 1.00 0.00 C ATOM 69 SG CYS A 6 5.711 23.108 -7.606 1.00 0.00 S ATOM 0 H CYS A 6 8.750 22.857 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 6 8.402 23.512 -8.404 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.034 23.902 -5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.830 25.138 -6.999 1.00 0.00 H new ATOM 74 N GLY A 7 10.451 24.969 -8.147 1.00 0.00 N ATOM 75 CA GLY A 7 11.450 26.016 -8.281 1.00 0.00 C ATOM 76 C GLY A 7 12.378 26.022 -7.071 1.00 0.00 C ATOM 77 O GLY A 7 13.466 25.451 -7.124 1.00 0.00 O ATOM 0 H GLY A 7 10.638 24.161 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.029 25.861 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.960 26.985 -8.377 1.00 0.00 H new ATOM 81 N SER A 8 11.928 26.669 -5.989 1.00 0.00 N ATOM 82 CA SER A 8 12.646 26.813 -4.731 1.00 0.00 C ATOM 83 C SER A 8 11.857 26.139 -3.608 1.00 0.00 C ATOM 84 O SER A 8 12.439 25.410 -2.807 1.00 0.00 O ATOM 85 CB SER A 8 12.872 28.303 -4.451 1.00 0.00 C ATOM 86 OG SER A 8 13.593 28.472 -3.249 1.00 0.00 O ATOM 0 H SER A 8 11.015 27.123 -5.973 1.00 0.00 H new ATOM 0 HA SER A 8 13.619 26.325 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.419 28.756 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.913 28.817 -4.383 1.00 0.00 H new ATOM 0 HG SER A 8 13.732 29.428 -3.083 1.00 0.00 H new ATOM 92 N THR A 9 10.540 26.388 -3.556 1.00 0.00 N ATOM 93 CA THR A 9 9.633 25.846 -2.556 1.00 0.00 C ATOM 94 C THR A 9 9.577 24.319 -2.676 1.00 0.00 C ATOM 95 O THR A 9 8.936 23.780 -3.580 1.00 0.00 O ATOM 96 CB THR A 9 8.251 26.496 -2.721 1.00 0.00 C ATOM 97 OG1 THR A 9 8.376 27.902 -2.660 1.00 0.00 O ATOM 98 CG2 THR A 9 7.281 26.049 -1.624 1.00 0.00 C ATOM 0 H THR A 9 10.071 26.991 -4.232 1.00 0.00 H new ATOM 0 HA THR A 9 9.992 26.076 -1.553 1.00 0.00 H new ATOM 0 HB THR A 9 7.856 26.184 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.493 28.314 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.315 26.530 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.158 24.967 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.679 26.332 -0.649 1.00 0.00 H new ATOM 106 N ASN A 10 10.255 23.635 -1.747 1.00 0.00 N ATOM 107 CA ASN A 10 10.354 22.185 -1.682 1.00 0.00 C ATOM 108 C ASN A 10 9.193 21.596 -0.882 1.00 0.00 C ATOM 109 O ASN A 10 8.892 22.067 0.214 1.00 0.00 O ATOM 110 CB ASN A 10 11.703 21.816 -1.042 1.00 0.00 C ATOM 111 CG ASN A 10 11.957 20.307 -0.969 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.765 19.776 -1.727 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.279 19.607 -0.053 1.00 0.00 N ATOM 0 H ASN A 10 10.766 24.099 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 10 10.299 21.768 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.506 22.284 -1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.743 22.232 -0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.426 18.601 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.615 20.079 0.561 1.00 0.00 H new ATOM 120 N TYR A 11 8.546 20.569 -1.451 1.00 0.00 N ATOM 121 CA TYR A 11 7.447 19.835 -0.844 1.00 0.00 C ATOM 122 C TYR A 11 7.769 18.346 -0.988 1.00 0.00 C ATOM 123 O TYR A 11 8.234 17.904 -2.041 1.00 0.00 O ATOM 124 CB TYR A 11 6.124 20.091 -1.566 1.00 0.00 C ATOM 125 CG TYR A 11 5.573 21.497 -1.643 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.563 22.352 -0.526 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.042 21.941 -2.868 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.025 23.645 -0.641 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.503 23.228 -2.980 1.00 0.00 C ATOM 130 CZ TYR A 11 4.481 24.081 -1.863 1.00 0.00 C ATOM 131 OH TYR A 11 3.943 25.330 -1.967 1.00 0.00 O ATOM 0 H TYR A 11 8.788 20.221 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 11 7.341 20.152 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.235 19.728 -2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.366 19.470 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.968 22.016 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.050 21.285 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.029 24.307 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.104 23.566 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 11 4.221 25.871 -1.199 1.00 0.00 H new ATOM 141 N SER A 12 7.504 17.576 0.069 1.00 0.00 N ATOM 142 CA SER A 12 7.727 16.140 0.108 1.00 0.00 C ATOM 143 C SER A 12 6.642 15.382 -0.632 1.00 0.00 C ATOM 144 O SER A 12 5.556 15.904 -0.879 1.00 0.00 O ATOM 145 CB SER A 12 7.787 15.689 1.568 1.00 0.00 C ATOM 146 OG SER A 12 6.553 15.941 2.199 1.00 0.00 O ATOM 0 H SER A 12 7.120 17.947 0.938 1.00 0.00 H new ATOM 0 HA SER A 12 8.670 15.921 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.021 14.626 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.586 16.217 2.088 1.00 0.00 H new ATOM 0 HG SER A 12 6.644 15.800 3.164 1.00 0.00 H new ATOM 152 N ALA A 13 6.973 14.135 -0.988 1.00 0.00 N ATOM 153 CA ALA A 13 6.052 13.222 -1.639 1.00 0.00 C ATOM 154 C ALA A 13 4.904 12.943 -0.656 1.00 0.00 C ATOM 155 O ALA A 13 3.873 12.398 -1.048 1.00 0.00 O ATOM 156 CB ALA A 13 6.783 11.927 -1.987 1.00 0.00 C ATOM 0 H ALA A 13 7.898 13.737 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 13 5.659 13.651 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.093 11.240 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.613 12.147 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.166 11.469 -1.075 1.00 0.00 H new ATOM 162 N SER A 14 5.092 13.324 0.621 1.00 0.00 N ATOM 163 CA SER A 14 4.098 13.157 1.668 1.00 0.00 C ATOM 164 C SER A 14 3.093 14.307 1.564 1.00 0.00 C ATOM 165 O SER A 14 1.893 14.077 1.703 1.00 0.00 O ATOM 166 CB SER A 14 4.775 13.089 3.038 1.00 0.00 C ATOM 167 OG SER A 14 3.811 12.837 4.038 1.00 0.00 O ATOM 0 H SER A 14 5.954 13.761 0.947 1.00 0.00 H new ATOM 0 HA SER A 14 3.560 12.217 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.530 12.303 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.291 14.027 3.246 1.00 0.00 H new ATOM 0 HG SER A 14 4.251 12.793 4.913 1.00 0.00 H new ATOM 173 N GLN A 15 3.576 15.537 1.312 1.00 0.00 N ATOM 174 CA GLN A 15 2.721 16.712 1.154 1.00 0.00 C ATOM 175 C GLN A 15 1.839 16.512 -0.081 1.00 0.00 C ATOM 176 O GLN A 15 0.679 16.913 -0.088 1.00 0.00 O ATOM 177 CB GLN A 15 3.557 17.999 1.031 1.00 0.00 C ATOM 178 CG GLN A 15 3.665 18.756 2.358 1.00 0.00 C ATOM 179 CD GLN A 15 4.602 18.065 3.342 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.211 17.112 4.015 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.844 18.549 3.426 1.00 0.00 N ATOM 0 H GLN A 15 4.571 15.737 1.213 1.00 0.00 H new ATOM 0 HA GLN A 15 2.094 16.824 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.557 17.747 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.108 18.650 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.022 19.768 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.675 18.846 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.123 19.341 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.514 18.126 4.069 1.00 0.00 H new ATOM 190 N VAL A 16 2.412 15.896 -1.119 1.00 0.00 N ATOM 191 CA VAL A 16 1.772 15.560 -2.380 1.00 0.00 C ATOM 192 C VAL A 16 0.593 14.630 -2.094 1.00 0.00 C ATOM 193 O VAL A 16 -0.523 14.887 -2.543 1.00 0.00 O ATOM 194 CB VAL A 16 2.817 14.858 -3.261 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.213 13.953 -4.333 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.729 15.924 -3.862 1.00 0.00 C ATOM 0 H VAL A 16 3.389 15.605 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 16 1.400 16.448 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 16 3.393 14.180 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.013 13.493 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.616 13.175 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.579 14.544 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.480 15.447 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.136 16.614 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.224 16.473 -3.061 1.00 0.00 H new ATOM 206 N ARG A 17 0.857 13.556 -1.335 1.00 0.00 N ATOM 207 CA ARG A 17 -0.132 12.549 -0.970 1.00 0.00 C ATOM 208 C ARG A 17 -1.260 13.141 -0.126 1.00 0.00 C ATOM 209 O ARG A 17 -2.417 12.775 -0.319 1.00 0.00 O ATOM 210 CB ARG A 17 0.541 11.366 -0.244 1.00 0.00 C ATOM 211 CG ARG A 17 0.488 10.071 -1.064 1.00 0.00 C ATOM 212 CD ARG A 17 1.408 10.122 -2.290 1.00 0.00 C ATOM 213 NE ARG A 17 1.183 8.972 -3.174 1.00 0.00 N ATOM 214 CZ ARG A 17 1.637 7.722 -2.973 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.399 7.418 -1.912 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.321 6.761 -3.853 1.00 0.00 N ATOM 0 H ARG A 17 1.784 13.366 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.581 12.178 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.580 11.617 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.050 11.205 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.775 9.231 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.537 9.890 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.233 11.046 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.449 10.136 -1.966 1.00 0.00 H new ATOM 0 HE ARG A 17 0.633 9.136 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.646 8.142 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.732 6.463 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.743 6.982 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.659 5.809 -3.712 1.00 0.00 H new ATOM 230 N ALA A 18 -0.931 14.054 0.794 1.00 0.00 N ATOM 231 CA ALA A 18 -1.908 14.685 1.673 1.00 0.00 C ATOM 232 C ALA A 18 -2.823 15.614 0.874 1.00 0.00 C ATOM 233 O ALA A 18 -4.048 15.513 0.954 1.00 0.00 O ATOM 234 CB ALA A 18 -1.185 15.451 2.783 1.00 0.00 C ATOM 0 H ALA A 18 0.025 14.374 0.947 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.529 13.914 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.919 15.921 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.572 14.760 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.549 16.218 2.341 1.00 0.00 H new ATOM 240 N ALA A 19 -2.209 16.510 0.093 1.00 0.00 N ATOM 241 CA ALA A 19 -2.891 17.492 -0.732 1.00 0.00 C ATOM 242 C ALA A 19 -3.807 16.811 -1.742 1.00 0.00 C ATOM 243 O ALA A 19 -4.907 17.301 -1.991 1.00 0.00 O ATOM 244 CB ALA A 19 -1.861 18.374 -1.438 1.00 0.00 C ATOM 0 H ALA A 19 -1.193 16.567 0.021 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.513 18.119 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.375 19.110 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.251 18.887 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.222 17.755 -2.067 1.00 0.00 H new ATOM 250 N ALA A 20 -3.361 15.683 -2.310 1.00 0.00 N ATOM 251 CA ALA A 20 -4.134 14.949 -3.296 1.00 0.00 C ATOM 252 C ALA A 20 -5.253 14.141 -2.668 1.00 0.00 C ATOM 253 O ALA A 20 -6.346 14.099 -3.228 1.00 0.00 O ATOM 254 CB ALA A 20 -3.226 14.099 -4.186 1.00 0.00 C ATOM 0 H ALA A 20 -2.457 15.263 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.622 15.682 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.832 13.560 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.520 14.745 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.679 13.385 -3.571 1.00 0.00 H new ATOM 260 N ASN A 21 -4.997 13.493 -1.528 1.00 0.00 N ATOM 261 CA ASN A 21 -6.025 12.736 -0.836 1.00 0.00 C ATOM 262 C ASN A 21 -7.119 13.705 -0.366 1.00 0.00 C ATOM 263 O ASN A 21 -8.255 13.287 -0.139 1.00 0.00 O ATOM 264 CB ASN A 21 -5.396 11.990 0.348 1.00 0.00 C ATOM 265 CG ASN A 21 -6.428 11.179 1.130 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.806 10.088 0.710 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.889 11.713 2.267 1.00 0.00 N ATOM 0 H ASN A 21 -4.085 13.482 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.474 11.999 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.614 11.324 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.918 12.707 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.582 11.211 2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.547 12.622 2.579 1.00 0.00 H new ATOM 274 N ALA A 22 -6.786 15.001 -0.242 1.00 0.00 N ATOM 275 CA ALA A 22 -7.724 16.003 0.228 1.00 0.00 C ATOM 276 C ALA A 22 -8.557 16.446 -0.959 1.00 0.00 C ATOM 277 O ALA A 22 -9.776 16.326 -0.933 1.00 0.00 O ATOM 278 CB ALA A 22 -6.984 17.172 0.855 1.00 0.00 C ATOM 0 H ALA A 22 -5.862 15.370 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.374 15.590 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.703 17.914 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.392 16.818 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.325 17.625 0.114 1.00 0.00 H new ATOM 284 N ALA A 23 -7.870 16.969 -1.982 1.00 0.00 N ATOM 285 CA ALA A 23 -8.455 17.407 -3.241 1.00 0.00 C ATOM 286 C ALA A 23 -9.455 16.363 -3.753 1.00 0.00 C ATOM 287 O ALA A 23 -10.569 16.712 -4.130 1.00 0.00 O ATOM 288 CB ALA A 23 -7.339 17.598 -4.269 1.00 0.00 C ATOM 0 H ALA A 23 -6.859 17.100 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.982 18.348 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.768 17.926 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.637 18.350 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.815 16.654 -4.416 1.00 0.00 H new ATOM 294 N CYS A 24 -9.045 15.085 -3.747 1.00 0.00 N ATOM 295 CA CYS A 24 -9.840 13.941 -4.168 1.00 0.00 C ATOM 296 C CYS A 24 -11.095 13.785 -3.315 1.00 0.00 C ATOM 297 O CYS A 24 -12.196 13.730 -3.859 1.00 0.00 O ATOM 298 CB CYS A 24 -8.997 12.663 -4.059 1.00 0.00 C ATOM 299 SG CYS A 24 -9.955 11.118 -4.063 1.00 0.00 S ATOM 0 H CYS A 24 -8.111 14.819 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.146 14.108 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.290 12.638 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.410 12.708 -3.142 1.00 0.00 H new ATOM 304 N GLN A 25 -10.927 13.724 -1.988 1.00 0.00 N ATOM 305 CA GLN A 25 -12.029 13.540 -1.060 1.00 0.00 C ATOM 306 C GLN A 25 -13.071 14.638 -1.229 1.00 0.00 C ATOM 307 O GLN A 25 -14.256 14.345 -1.309 1.00 0.00 O ATOM 308 CB GLN A 25 -11.490 13.506 0.377 1.00 0.00 C ATOM 309 CG GLN A 25 -12.606 13.293 1.408 1.00 0.00 C ATOM 310 CD GLN A 25 -12.073 13.266 2.840 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.872 13.124 3.067 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.974 13.409 3.815 1.00 0.00 N ATOM 0 H GLN A 25 -10.016 13.802 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.519 12.590 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.755 12.706 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.973 14.441 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.344 14.090 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.120 12.355 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.961 13.524 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.675 13.403 4.790 1.00 0.00 H new ATOM 321 N TYR A 26 -12.616 15.889 -1.301 1.00 0.00 N ATOM 322 CA TYR A 26 -13.456 17.069 -1.420 1.00 0.00 C ATOM 323 C TYR A 26 -14.189 17.151 -2.756 1.00 0.00 C ATOM 324 O TYR A 26 -15.399 17.366 -2.784 1.00 0.00 O ATOM 325 CB TYR A 26 -12.589 18.320 -1.212 1.00 0.00 C ATOM 326 CG TYR A 26 -11.853 18.440 0.114 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.219 17.680 1.245 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.780 19.347 0.209 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.508 17.815 2.450 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.082 19.495 1.417 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.438 18.722 2.537 1.00 0.00 C ATOM 332 OH TYR A 26 -9.756 18.860 3.711 1.00 0.00 O ATOM 0 H TYR A 26 -11.621 16.110 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.228 17.004 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.851 18.357 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.227 19.196 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.049 16.992 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.493 19.932 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.784 17.222 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.270 20.204 1.487 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.773 18.012 4.201 1.00 0.00 H new ATOM 342 N TYR A 27 -13.459 16.967 -3.859 1.00 0.00 N ATOM 343 CA TYR A 27 -13.999 17.051 -5.208 1.00 0.00 C ATOM 344 C TYR A 27 -15.027 15.948 -5.489 1.00 0.00 C ATOM 345 O TYR A 27 -15.992 16.198 -6.210 1.00 0.00 O ATOM 346 CB TYR A 27 -12.826 17.097 -6.198 1.00 0.00 C ATOM 347 CG TYR A 27 -13.121 17.520 -7.626 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.808 18.722 -7.894 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.692 16.713 -8.698 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.073 19.103 -9.220 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.954 17.103 -10.022 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.645 18.296 -10.286 1.00 0.00 C ATOM 353 OH TYR A 27 -13.890 18.672 -11.575 1.00 0.00 O ATOM 0 H TYR A 27 -12.462 16.753 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.571 17.971 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.075 17.777 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.375 16.105 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.131 19.351 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.161 15.793 -8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.608 20.020 -9.420 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.622 16.482 -10.841 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.525 17.999 -12.187 1.00 0.00 H new ATOM 363 N GLN A 28 -14.841 14.745 -4.921 1.00 0.00 N ATOM 364 CA GLN A 28 -15.768 13.628 -5.098 1.00 0.00 C ATOM 365 C GLN A 28 -16.956 13.725 -4.134 1.00 0.00 C ATOM 366 O GLN A 28 -18.099 13.574 -4.561 1.00 0.00 O ATOM 367 CB GLN A 28 -15.063 12.280 -4.903 1.00 0.00 C ATOM 368 CG GLN A 28 -14.116 11.935 -6.056 1.00 0.00 C ATOM 369 CD GLN A 28 -13.656 10.482 -5.947 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.028 10.102 -4.959 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.961 9.664 -6.960 1.00 0.00 N ATOM 0 H GLN A 28 -14.042 14.525 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.140 13.688 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.500 12.301 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.812 11.494 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.620 12.094 -7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.252 12.600 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.483 10.018 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.671 8.686 -6.931 1.00 0.00 H new ATOM 380 N ASN A 29 -16.693 13.987 -2.843 1.00 0.00 N ATOM 381 CA ASN A 29 -17.708 14.090 -1.794 1.00 0.00 C ATOM 382 C ASN A 29 -18.565 15.359 -1.926 1.00 0.00 C ATOM 383 O ASN A 29 -19.497 15.544 -1.145 1.00 0.00 O ATOM 384 CB ASN A 29 -17.021 14.001 -0.421 1.00 0.00 C ATOM 385 CG ASN A 29 -17.972 13.967 0.775 1.00 0.00 C ATOM 386 OD1 ASN A 29 -17.854 14.783 1.687 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.913 13.021 0.786 1.00 0.00 N ATOM 0 H ASN A 29 -15.745 14.136 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.404 13.258 -1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.401 13.105 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.352 14.854 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.564 12.958 1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.981 12.361 0.012 1.00 0.00 H new ATOM 394 N ASP A 30 -18.253 16.230 -2.898 1.00 0.00 N ATOM 395 CA ASP A 30 -18.962 17.468 -3.188 1.00 0.00 C ATOM 396 C ASP A 30 -18.750 18.489 -2.072 1.00 0.00 C ATOM 397 O ASP A 30 -19.621 18.712 -1.232 1.00 0.00 O ATOM 398 CB ASP A 30 -20.440 17.211 -3.508 1.00 0.00 C ATOM 399 CG ASP A 30 -21.146 18.472 -3.998 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.752 18.965 -5.076 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.068 18.924 -3.283 1.00 0.00 O ATOM 0 H ASP A 30 -17.464 16.076 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.539 17.906 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.517 16.434 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.944 16.836 -2.617 1.00 0.00 H new ATOM 406 N ASP A 31 -17.560 19.091 -2.090 1.00 0.00 N ATOM 407 CA ASP A 31 -17.105 20.113 -1.161 1.00 0.00 C ATOM 408 C ASP A 31 -16.229 21.081 -1.950 1.00 0.00 C ATOM 409 O ASP A 31 -15.245 20.662 -2.561 1.00 0.00 O ATOM 410 CB ASP A 31 -16.299 19.499 -0.011 1.00 0.00 C ATOM 411 CG ASP A 31 -17.073 18.422 0.740 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.794 18.792 1.692 1.00 0.00 O ATOM 413 OD2 ASP A 31 -16.932 17.246 0.343 1.00 0.00 O ATOM 0 H ASP A 31 -16.855 18.863 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.961 20.623 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.378 19.070 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.010 20.286 0.686 1.00 0.00 H new ATOM 418 N THR A 32 -16.594 22.367 -1.941 1.00 0.00 N ATOM 419 CA THR A 32 -15.870 23.419 -2.637 1.00 0.00 C ATOM 420 C THR A 32 -15.056 24.212 -1.614 1.00 0.00 C ATOM 421 O THR A 32 -15.485 25.268 -1.153 1.00 0.00 O ATOM 422 CB THR A 32 -16.839 24.281 -3.460 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.911 24.748 -2.667 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.391 23.470 -4.639 1.00 0.00 C ATOM 0 H THR A 32 -17.415 22.705 -1.440 1.00 0.00 H new ATOM 0 HA THR A 32 -15.168 22.999 -3.357 1.00 0.00 H new ATOM 0 HB THR A 32 -16.285 25.143 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.560 25.131 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.077 24.089 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.568 23.148 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.921 22.595 -4.262 1.00 0.00 H new ATOM 432 N ALA A 33 -13.874 23.681 -1.265 1.00 0.00 N ATOM 433 CA ALA A 33 -12.962 24.276 -0.298 1.00 0.00 C ATOM 434 C ALA A 33 -12.494 25.648 -0.783 1.00 0.00 C ATOM 435 O ALA A 33 -11.759 25.735 -1.765 1.00 0.00 O ATOM 436 CB ALA A 33 -11.769 23.342 -0.072 1.00 0.00 C ATOM 0 H ALA A 33 -13.526 22.807 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.483 24.413 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.088 23.790 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.124 22.384 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.245 23.187 -1.015 1.00 0.00 H new ATOM 442 N GLY A 34 -12.920 26.711 -0.087 1.00 0.00 N ATOM 443 CA GLY A 34 -12.593 28.090 -0.411 1.00 0.00 C ATOM 444 C GLY A 34 -11.084 28.315 -0.483 1.00 0.00 C ATOM 445 O GLY A 34 -10.399 28.232 0.531 1.00 0.00 O ATOM 0 H GLY A 34 -13.516 26.624 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.046 28.356 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.023 28.752 0.341 1.00 0.00 H new ATOM 449 N SER A 35 -10.577 28.595 -1.688 1.00 0.00 N ATOM 450 CA SER A 35 -9.171 28.858 -1.962 1.00 0.00 C ATOM 451 C SER A 35 -9.088 30.063 -2.895 1.00 0.00 C ATOM 452 O SER A 35 -8.438 31.056 -2.572 1.00 0.00 O ATOM 453 CB SER A 35 -8.513 27.611 -2.560 1.00 0.00 C ATOM 454 OG SER A 35 -8.513 26.558 -1.619 1.00 0.00 O ATOM 0 H SER A 35 -11.159 28.645 -2.524 1.00 0.00 H new ATOM 0 HA SER A 35 -8.629 29.089 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.048 27.305 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.490 27.840 -2.860 1.00 0.00 H new ATOM 0 HG SER A 35 -8.091 25.766 -2.014 1.00 0.00 H new ATOM 460 N SER A 36 -9.751 29.955 -4.053 1.00 0.00 N ATOM 461 CA SER A 36 -9.840 30.974 -5.088 1.00 0.00 C ATOM 462 C SER A 36 -11.094 30.657 -5.903 1.00 0.00 C ATOM 463 O SER A 36 -12.074 31.398 -5.863 1.00 0.00 O ATOM 464 CB SER A 36 -8.579 30.987 -5.965 1.00 0.00 C ATOM 465 OG SER A 36 -7.460 31.449 -5.240 1.00 0.00 O ATOM 0 H SER A 36 -10.264 29.108 -4.299 1.00 0.00 H new ATOM 0 HA SER A 36 -9.909 31.971 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.383 29.983 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.743 31.626 -6.833 1.00 0.00 H new ATOM 0 HG SER A 36 -7.691 31.515 -4.290 1.00 0.00 H new ATOM 471 N THR A 37 -11.041 29.538 -6.636 1.00 0.00 N ATOM 472 CA THR A 37 -12.107 29.003 -7.475 1.00 0.00 C ATOM 473 C THR A 37 -11.836 27.508 -7.721 1.00 0.00 C ATOM 474 O THR A 37 -12.206 26.966 -8.760 1.00 0.00 O ATOM 475 CB THR A 37 -12.230 29.834 -8.769 1.00 0.00 C ATOM 476 OG1 THR A 37 -13.351 29.414 -9.521 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.977 29.772 -9.652 1.00 0.00 C ATOM 0 H THR A 37 -10.205 28.954 -6.657 1.00 0.00 H new ATOM 0 HA THR A 37 -13.075 29.080 -6.980 1.00 0.00 H new ATOM 0 HB THR A 37 -12.352 30.869 -8.451 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.426 28.438 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.131 30.378 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.121 30.155 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.788 28.739 -9.943 1.00 0.00 H new ATOM 485 N TYR A 38 -11.196 26.847 -6.745 1.00 0.00 N ATOM 486 CA TYR A 38 -10.805 25.444 -6.759 1.00 0.00 C ATOM 487 C TYR A 38 -11.400 24.752 -5.526 1.00 0.00 C ATOM 488 O TYR A 38 -11.675 25.428 -4.536 1.00 0.00 O ATOM 489 CB TYR A 38 -9.261 25.388 -6.706 1.00 0.00 C ATOM 490 CG TYR A 38 -8.525 26.356 -7.623 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.907 26.479 -8.969 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.455 27.136 -7.139 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.243 27.380 -9.818 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.789 28.037 -7.985 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.191 28.168 -9.325 1.00 0.00 C ATOM 496 OH TYR A 38 -6.554 29.049 -10.148 1.00 0.00 O ATOM 0 H TYR A 38 -10.925 27.311 -5.878 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.167 24.941 -7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.945 25.579 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.945 24.374 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.717 25.877 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.145 27.040 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.542 27.467 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.969 28.629 -7.606 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.852 29.515 -9.648 1.00 0.00 H new ATOM 506 N PRO A 39 -11.622 23.426 -5.553 1.00 0.00 N ATOM 507 CA PRO A 39 -11.370 22.517 -6.657 1.00 0.00 C ATOM 508 C PRO A 39 -12.480 22.555 -7.710 1.00 0.00 C ATOM 509 O PRO A 39 -13.665 22.527 -7.379 1.00 0.00 O ATOM 510 CB PRO A 39 -11.285 21.134 -6.009 1.00 0.00 C ATOM 511 CG PRO A 39 -12.287 21.238 -4.858 1.00 0.00 C ATOM 512 CD PRO A 39 -12.158 22.697 -4.415 1.00 0.00 C ATOM 0 HA PRO A 39 -10.460 22.790 -7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.553 20.342 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.279 20.916 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.301 21.004 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.045 20.548 -4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.126 23.099 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.498 22.784 -3.552 1.00 0.00 H new ATOM 520 N HIS A 40 -12.074 22.629 -8.983 1.00 0.00 N ATOM 521 CA HIS A 40 -12.955 22.643 -10.140 1.00 0.00 C ATOM 522 C HIS A 40 -12.198 22.069 -11.338 1.00 0.00 C ATOM 523 O HIS A 40 -10.977 21.919 -11.285 1.00 0.00 O ATOM 524 CB HIS A 40 -13.561 24.031 -10.404 1.00 0.00 C ATOM 525 CG HIS A 40 -12.677 25.035 -11.100 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.200 26.151 -11.737 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.317 25.133 -11.272 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.168 26.843 -12.248 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.989 26.273 -11.998 1.00 0.00 N ATOM 0 H HIS A 40 -11.087 22.682 -9.237 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.820 22.009 -9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.463 23.900 -11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.870 24.455 -9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.599 24.420 -10.894 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.281 27.763 -12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.062 26.597 -12.275 1.00 0.00 H new ATOM 537 N THR A 41 -12.930 21.741 -12.408 1.00 0.00 N ATOM 538 CA THR A 41 -12.431 21.177 -13.636 1.00 0.00 C ATOM 539 C THR A 41 -11.273 21.993 -14.216 1.00 0.00 C ATOM 540 O THR A 41 -11.295 23.223 -14.168 1.00 0.00 O ATOM 541 CB THR A 41 -13.626 21.116 -14.592 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.732 20.512 -13.948 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.282 20.291 -15.818 1.00 0.00 C ATOM 0 H THR A 41 -13.941 21.875 -12.427 1.00 0.00 H new ATOM 0 HA THR A 41 -12.015 20.184 -13.467 1.00 0.00 H new ATOM 0 HB THR A 41 -13.873 22.135 -14.889 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.412 19.921 -13.235 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.142 20.258 -16.487 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.437 20.744 -16.336 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.020 19.278 -15.513 1.00 0.00 H new ATOM 551 N TYR A 42 -10.267 21.291 -14.753 1.00 0.00 N ATOM 552 CA TYR A 42 -9.083 21.874 -15.363 1.00 0.00 C ATOM 553 C TYR A 42 -8.866 21.247 -16.738 1.00 0.00 C ATOM 554 O TYR A 42 -8.690 20.035 -16.846 1.00 0.00 O ATOM 555 CB TYR A 42 -7.884 21.637 -14.444 1.00 0.00 C ATOM 556 CG TYR A 42 -6.574 22.237 -14.927 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.440 23.632 -15.067 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.482 21.402 -15.230 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.223 24.187 -15.497 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.265 21.958 -15.664 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.135 23.351 -15.796 1.00 0.00 C ATOM 562 OH TYR A 42 -2.956 23.889 -16.226 1.00 0.00 O ATOM 0 H TYR A 42 -10.262 20.271 -14.771 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.207 22.949 -15.496 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.113 22.047 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.749 20.563 -14.318 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.276 24.278 -14.843 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.579 20.331 -15.129 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.124 25.258 -15.598 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.430 21.314 -15.896 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.308 23.171 -16.387 1.00 0.00 H new ATOM 572 N ASN A 43 -8.887 22.083 -17.782 1.00 0.00 N ATOM 573 CA ASN A 43 -8.714 21.682 -19.168 1.00 0.00 C ATOM 574 C ASN A 43 -8.432 22.947 -19.979 1.00 0.00 C ATOM 575 O ASN A 43 -9.363 23.615 -20.430 1.00 0.00 O ATOM 576 CB ASN A 43 -9.965 20.943 -19.669 1.00 0.00 C ATOM 577 CG ASN A 43 -9.884 20.621 -21.160 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.621 21.191 -21.960 1.00 0.00 O ATOM 579 ND2 ASN A 43 -8.985 19.708 -21.535 1.00 0.00 N ATOM 0 H ASN A 43 -9.030 23.087 -17.674 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.880 20.989 -19.276 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.089 20.018 -19.105 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.847 21.554 -19.478 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.891 19.460 -22.520 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.393 19.259 -20.837 1.00 0.00 H new ATOM 586 N ASN A 44 -7.147 23.275 -20.151 1.00 0.00 N ATOM 587 CA ASN A 44 -6.715 24.454 -20.884 1.00 0.00 C ATOM 588 C ASN A 44 -5.266 24.313 -21.351 1.00 0.00 C ATOM 589 O ASN A 44 -4.507 23.503 -20.819 1.00 0.00 O ATOM 590 CB ASN A 44 -6.918 25.719 -20.030 1.00 0.00 C ATOM 591 CG ASN A 44 -6.253 25.660 -18.652 1.00 0.00 C ATOM 592 OD1 ASN A 44 -5.211 25.033 -18.472 1.00 0.00 O ATOM 593 ND2 ASN A 44 -6.864 26.327 -17.668 1.00 0.00 N ATOM 0 H ASN A 44 -6.376 22.720 -19.779 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.331 24.551 -21.778 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.525 26.578 -20.574 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.987 25.887 -19.898 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.467 26.327 -16.729 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.728 26.836 -17.856 1.00 0.00 H new ATOM 600 N TYR A 45 -4.910 25.112 -22.364 1.00 0.00 N ATOM 601 CA TYR A 45 -3.589 25.179 -22.975 1.00 0.00 C ATOM 602 C TYR A 45 -3.228 23.901 -23.740 1.00 0.00 C ATOM 603 O TYR A 45 -3.882 22.869 -23.592 1.00 0.00 O ATOM 604 CB TYR A 45 -2.537 25.568 -21.923 1.00 0.00 C ATOM 605 CG TYR A 45 -1.345 26.320 -22.480 1.00 0.00 C ATOM 606 CD1 TYR A 45 -1.511 27.628 -22.972 1.00 0.00 C ATOM 607 CD2 TYR A 45 -0.072 25.724 -22.500 1.00 0.00 C ATOM 608 CE1 TYR A 45 -0.409 28.334 -23.485 1.00 0.00 C ATOM 609 CE2 TYR A 45 1.031 26.431 -23.010 1.00 0.00 C ATOM 610 CZ TYR A 45 0.863 27.737 -23.503 1.00 0.00 C ATOM 611 OH TYR A 45 1.934 28.423 -23.997 1.00 0.00 O ATOM 0 H TYR A 45 -5.571 25.758 -22.796 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.605 25.964 -23.731 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.014 26.182 -21.159 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.182 24.663 -21.429 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.487 28.090 -22.955 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.059 24.721 -22.123 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.540 29.336 -23.866 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.008 25.971 -23.023 1.00 0.00 H new ATOM 0 HH TYR A 45 2.737 27.865 -23.934 1.00 0.00 H new ATOM 621 N GLU A 46 -2.181 23.987 -24.569 1.00 0.00 N ATOM 622 CA GLU A 46 -1.686 22.896 -25.399 1.00 0.00 C ATOM 623 C GLU A 46 -0.339 22.392 -24.885 1.00 0.00 C ATOM 624 O GLU A 46 -0.137 21.182 -24.780 1.00 0.00 O ATOM 625 CB GLU A 46 -1.570 23.367 -26.857 1.00 0.00 C ATOM 626 CG GLU A 46 -2.907 23.840 -27.443 1.00 0.00 C ATOM 627 CD GLU A 46 -3.963 22.736 -27.447 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.853 21.848 -28.320 1.00 0.00 O ATOM 629 OE2 GLU A 46 -4.860 22.797 -26.578 1.00 0.00 O ATOM 0 H GLU A 46 -1.642 24.846 -24.680 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.392 22.067 -25.350 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.847 24.181 -26.914 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.181 22.551 -27.467 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.274 24.688 -26.865 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.750 24.193 -28.462 1.00 0.00 H new ATOM 636 N GLY A 47 0.578 23.311 -24.554 1.00 0.00 N ATOM 637 CA GLY A 47 1.913 22.991 -24.065 1.00 0.00 C ATOM 638 C GLY A 47 1.957 22.626 -22.577 1.00 0.00 C ATOM 639 O GLY A 47 2.906 22.999 -21.889 1.00 0.00 O ATOM 0 H GLY A 47 0.403 24.314 -24.622 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.312 22.159 -24.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.568 23.845 -24.239 1.00 0.00 H new ATOM 643 N PHE A 48 0.945 21.897 -22.085 1.00 0.00 N ATOM 644 CA PHE A 48 0.836 21.443 -20.707 1.00 0.00 C ATOM 645 C PHE A 48 -0.097 20.237 -20.663 1.00 0.00 C ATOM 646 O PHE A 48 -1.213 20.295 -21.178 1.00 0.00 O ATOM 647 CB PHE A 48 0.355 22.557 -19.759 1.00 0.00 C ATOM 648 CG PHE A 48 1.486 23.182 -18.966 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.006 22.496 -17.852 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.028 24.426 -19.338 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.064 23.052 -17.116 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.086 24.981 -18.600 1.00 0.00 C ATOM 653 CZ PHE A 48 3.605 24.294 -17.489 1.00 0.00 C ATOM 0 H PHE A 48 0.157 21.602 -22.662 1.00 0.00 H new ATOM 0 HA PHE A 48 1.827 21.157 -20.354 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.146 23.331 -20.340 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.383 22.148 -19.069 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.591 21.542 -17.564 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.630 24.954 -20.192 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.463 22.525 -16.262 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.501 25.936 -18.886 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.419 24.721 -16.922 1.00 0.00 H new ATOM 663 N ASP A 49 0.381 19.154 -20.040 1.00 0.00 N ATOM 664 CA ASP A 49 -0.327 17.893 -19.891 1.00 0.00 C ATOM 665 C ASP A 49 0.379 17.049 -18.826 1.00 0.00 C ATOM 666 O ASP A 49 1.325 17.510 -18.188 1.00 0.00 O ATOM 667 CB ASP A 49 -0.395 17.169 -21.248 1.00 0.00 C ATOM 668 CG ASP A 49 0.992 16.898 -21.827 1.00 0.00 C ATOM 669 OD1 ASP A 49 1.549 15.827 -21.500 1.00 0.00 O ATOM 670 OD2 ASP A 49 1.473 17.768 -22.585 1.00 0.00 O ATOM 0 H ASP A 49 1.307 19.139 -19.612 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.352 18.068 -19.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.928 16.226 -21.128 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.969 17.772 -21.951 1.00 0.00 H new ATOM 675 N PHE A 50 -0.095 15.812 -18.638 1.00 0.00 N ATOM 676 CA PHE A 50 0.432 14.840 -17.689 1.00 0.00 C ATOM 677 C PHE A 50 0.342 13.451 -18.337 1.00 0.00 C ATOM 678 O PHE A 50 -0.471 13.267 -19.242 1.00 0.00 O ATOM 679 CB PHE A 50 -0.382 14.937 -16.391 1.00 0.00 C ATOM 680 CG PHE A 50 -0.361 16.306 -15.732 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.808 16.767 -15.100 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.510 17.120 -15.754 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.828 18.033 -14.489 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.492 18.382 -15.134 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.322 18.840 -14.505 1.00 0.00 C ATOM 0 H PHE A 50 -0.889 15.452 -19.167 1.00 0.00 H new ATOM 0 HA PHE A 50 1.475 15.031 -17.439 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.416 14.667 -16.605 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.001 14.201 -15.683 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.692 16.147 -15.084 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.406 16.775 -16.248 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.728 18.385 -14.007 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.378 19.000 -15.141 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.307 19.812 -14.034 1.00 0.00 H new ATOM 695 N PRO A 51 1.151 12.465 -17.906 1.00 0.00 N ATOM 696 CA PRO A 51 1.157 11.118 -18.470 1.00 0.00 C ATOM 697 C PRO A 51 0.030 10.255 -17.880 1.00 0.00 C ATOM 698 O PRO A 51 0.254 9.121 -17.460 1.00 0.00 O ATOM 699 CB PRO A 51 2.553 10.589 -18.128 1.00 0.00 C ATOM 700 CG PRO A 51 2.790 11.181 -16.739 1.00 0.00 C ATOM 701 CD PRO A 51 2.148 12.567 -16.850 1.00 0.00 C ATOM 0 HA PRO A 51 0.969 11.101 -19.543 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.584 9.500 -18.117 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.302 10.922 -18.846 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.324 10.580 -15.958 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.852 11.244 -16.502 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.688 12.860 -15.906 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.894 13.324 -17.090 1.00 0.00 H new ATOM 709 N VAL A 52 -1.186 10.810 -17.871 1.00 0.00 N ATOM 710 CA VAL A 52 -2.420 10.233 -17.361 1.00 0.00 C ATOM 711 C VAL A 52 -3.581 10.877 -18.130 1.00 0.00 C ATOM 712 O VAL A 52 -3.370 11.828 -18.883 1.00 0.00 O ATOM 713 CB VAL A 52 -2.551 10.488 -15.845 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.675 9.558 -14.999 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.215 11.936 -15.474 1.00 0.00 C ATOM 0 H VAL A 52 -1.338 11.745 -18.250 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.427 9.153 -17.505 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.597 10.281 -15.620 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.813 9.789 -13.943 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.959 8.522 -15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.628 9.700 -15.267 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.321 12.070 -14.397 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.189 12.158 -15.768 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.896 12.612 -15.992 1.00 0.00 H new ATOM 725 N ASP A 53 -4.803 10.366 -17.933 1.00 0.00 N ATOM 726 CA ASP A 53 -6.011 10.849 -18.592 1.00 0.00 C ATOM 727 C ASP A 53 -6.909 11.573 -17.590 1.00 0.00 C ATOM 728 O ASP A 53 -7.001 11.169 -16.432 1.00 0.00 O ATOM 729 CB ASP A 53 -6.754 9.667 -19.223 1.00 0.00 C ATOM 730 CG ASP A 53 -5.913 8.995 -20.306 1.00 0.00 C ATOM 731 OD1 ASP A 53 -5.893 9.538 -21.432 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.300 7.953 -19.987 1.00 0.00 O ATOM 0 H ASP A 53 -4.977 9.589 -17.296 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.736 11.556 -19.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.005 8.939 -18.451 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.694 10.013 -19.653 1.00 0.00 H new ATOM 737 N GLY A 54 -7.575 12.640 -18.050 1.00 0.00 N ATOM 738 CA GLY A 54 -8.483 13.438 -17.240 1.00 0.00 C ATOM 739 C GLY A 54 -9.903 12.861 -17.275 1.00 0.00 C ATOM 740 O GLY A 54 -10.075 11.690 -17.612 1.00 0.00 O ATOM 0 H GLY A 54 -7.492 12.972 -19.011 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.125 13.470 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.495 14.465 -17.605 1.00 0.00 H new ATOM 744 N PRO A 55 -10.934 13.654 -16.927 1.00 0.00 N ATOM 745 CA PRO A 55 -10.872 15.047 -16.494 1.00 0.00 C ATOM 746 C PRO A 55 -9.955 15.275 -15.292 1.00 0.00 C ATOM 747 O PRO A 55 -9.779 14.381 -14.468 1.00 0.00 O ATOM 748 CB PRO A 55 -12.311 15.437 -16.136 1.00 0.00 C ATOM 749 CG PRO A 55 -13.159 14.472 -16.962 1.00 0.00 C ATOM 750 CD PRO A 55 -12.315 13.200 -16.950 1.00 0.00 C ATOM 0 HA PRO A 55 -10.450 15.656 -17.294 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.503 15.327 -15.069 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.521 16.476 -16.392 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.141 14.312 -16.517 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.324 14.841 -17.974 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.541 12.586 -16.078 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.513 12.589 -17.830 1.00 0.00 H new ATOM 758 N TYR A 56 -9.385 16.483 -15.204 1.00 0.00 N ATOM 759 CA TYR A 56 -8.477 16.896 -14.141 1.00 0.00 C ATOM 760 C TYR A 56 -9.144 17.958 -13.274 1.00 0.00 C ATOM 761 O TYR A 56 -10.240 18.423 -13.587 1.00 0.00 O ATOM 762 CB TYR A 56 -7.184 17.456 -14.748 1.00 0.00 C ATOM 763 CG TYR A 56 -6.565 16.601 -15.833 1.00 0.00 C ATOM 764 CD1 TYR A 56 -5.809 15.464 -15.497 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.749 16.944 -17.186 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.232 14.681 -16.512 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.170 16.163 -18.199 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.410 15.030 -17.863 1.00 0.00 C ATOM 769 OH TYR A 56 -4.860 14.270 -18.853 1.00 0.00 O ATOM 0 H TYR A 56 -9.551 17.217 -15.893 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.235 16.031 -13.523 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.391 18.444 -15.159 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.454 17.589 -13.950 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.672 15.193 -14.461 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.338 17.811 -17.446 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.650 13.809 -16.254 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.309 16.433 -19.235 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.432 13.481 -18.460 1.00 0.00 H new ATOM 779 N GLN A 57 -8.470 18.342 -12.183 1.00 0.00 N ATOM 780 CA GLN A 57 -8.959 19.354 -11.264 1.00 0.00 C ATOM 781 C GLN A 57 -7.799 19.999 -10.513 1.00 0.00 C ATOM 782 O GLN A 57 -6.824 19.331 -10.170 1.00 0.00 O ATOM 783 CB GLN A 57 -10.008 18.758 -10.319 1.00 0.00 C ATOM 784 CG GLN A 57 -9.432 17.653 -9.423 1.00 0.00 C ATOM 785 CD GLN A 57 -9.289 18.096 -7.968 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.704 19.137 -7.683 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.816 17.297 -7.038 1.00 0.00 N ATOM 0 H GLN A 57 -7.565 17.951 -11.919 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.451 20.144 -11.831 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.421 19.550 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.832 18.353 -10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.079 16.777 -9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.457 17.351 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.295 16.440 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.740 17.544 -6.051 1.00 0.00 H new ATOM 796 N GLU A 58 -7.929 21.305 -10.257 1.00 0.00 N ATOM 797 CA GLU A 58 -6.923 22.101 -9.570 1.00 0.00 C ATOM 798 C GLU A 58 -7.122 22.052 -8.061 1.00 0.00 C ATOM 799 O GLU A 58 -8.238 21.897 -7.578 1.00 0.00 O ATOM 800 CB GLU A 58 -7.042 23.563 -10.024 1.00 0.00 C ATOM 801 CG GLU A 58 -6.553 23.764 -11.461 1.00 0.00 C ATOM 802 CD GLU A 58 -7.423 24.776 -12.201 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.573 24.405 -12.519 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.929 25.897 -12.445 1.00 0.00 O ATOM 0 H GLU A 58 -8.753 21.842 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.942 21.694 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.082 23.882 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.464 24.198 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.518 24.107 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.568 22.811 -11.990 1.00 0.00 H new ATOM 811 N PHE A 59 -6.016 22.174 -7.325 1.00 0.00 N ATOM 812 CA PHE A 59 -6.003 22.188 -5.875 1.00 0.00 C ATOM 813 C PHE A 59 -4.702 22.871 -5.470 1.00 0.00 C ATOM 814 O PHE A 59 -3.634 22.287 -5.628 1.00 0.00 O ATOM 815 CB PHE A 59 -6.099 20.782 -5.296 1.00 0.00 C ATOM 816 CG PHE A 59 -6.318 20.859 -3.797 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.595 21.193 -3.310 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.265 20.617 -2.894 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.822 21.288 -1.927 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.494 20.709 -1.509 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.770 21.055 -1.027 1.00 0.00 C ATOM 0 H PHE A 59 -5.088 22.267 -7.737 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.868 22.724 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.920 20.240 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.186 20.227 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.404 21.377 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.283 20.361 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.805 21.540 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.690 20.514 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.940 21.141 0.036 1.00 0.00 H new ATOM 831 N PRO A 60 -4.747 24.093 -4.931 1.00 0.00 N ATOM 832 CA PRO A 60 -3.542 24.807 -4.590 1.00 0.00 C ATOM 833 C PRO A 60 -2.926 24.362 -3.265 1.00 0.00 C ATOM 834 O PRO A 60 -3.640 24.163 -2.282 1.00 0.00 O ATOM 835 CB PRO A 60 -3.961 26.259 -4.646 1.00 0.00 C ATOM 836 CG PRO A 60 -5.354 26.202 -4.023 1.00 0.00 C ATOM 837 CD PRO A 60 -5.914 24.887 -4.587 1.00 0.00 C ATOM 0 HA PRO A 60 -2.720 24.606 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.286 26.902 -4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.984 26.639 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.312 26.192 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.963 27.059 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.535 24.376 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.539 25.068 -5.462 1.00 0.00 H new ATOM 845 N ILE A 61 -1.595 24.194 -3.256 1.00 0.00 N ATOM 846 CA ILE A 61 -0.822 23.797 -2.098 1.00 0.00 C ATOM 847 C ILE A 61 -0.195 24.997 -1.436 1.00 0.00 C ATOM 848 O ILE A 61 -0.283 26.146 -1.866 1.00 0.00 O ATOM 849 CB ILE A 61 0.195 22.698 -2.433 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.948 21.908 -1.344 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.096 23.027 -3.618 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.238 20.471 -1.787 1.00 0.00 C ATOM 0 H ILE A 61 -1.021 24.338 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.504 23.353 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.550 21.947 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.885 22.413 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.356 21.895 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.786 22.201 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.485 23.182 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.662 23.934 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.770 19.946 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.299 19.958 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.852 20.485 -2.688 1.00 0.00 H new ATOM 864 N LYS A 62 0.449 24.611 -0.358 1.00 0.00 N ATOM 865 CA LYS A 62 1.168 25.476 0.569 1.00 0.00 C ATOM 866 C LYS A 62 2.235 24.689 1.331 1.00 0.00 C ATOM 867 O LYS A 62 2.519 23.539 1.002 1.00 0.00 O ATOM 868 CB LYS A 62 0.162 26.210 1.483 1.00 0.00 C ATOM 869 CG LYS A 62 0.441 27.717 1.656 1.00 0.00 C ATOM 870 CD LYS A 62 0.229 28.527 0.364 1.00 0.00 C ATOM 871 CE LYS A 62 0.386 30.039 0.577 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.689 30.615 1.404 1.00 0.00 N ATOM 0 H LYS A 62 0.491 23.630 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 62 1.710 26.244 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.841 26.083 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.169 25.736 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.210 28.113 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.467 27.853 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.944 28.195 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.767 28.322 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.348 30.236 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.400 30.538 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.580 31.648 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.612 30.380 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.635 30.223 2.366 1.00 0.00 H new ATOM 886 N SER A 63 2.816 25.315 2.360 1.00 0.00 N ATOM 887 CA SER A 63 3.871 24.765 3.200 1.00 0.00 C ATOM 888 C SER A 63 3.339 23.745 4.218 1.00 0.00 C ATOM 889 O SER A 63 3.591 23.864 5.418 1.00 0.00 O ATOM 890 CB SER A 63 4.604 25.933 3.873 1.00 0.00 C ATOM 891 OG SER A 63 5.740 25.472 4.573 1.00 0.00 O ATOM 0 H SER A 63 2.548 26.259 2.637 1.00 0.00 H new ATOM 0 HA SER A 63 4.571 24.204 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.905 26.662 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.930 26.444 4.560 1.00 0.00 H new ATOM 0 HG SER A 63 5.471 24.783 5.216 1.00 0.00 H new ATOM 897 N GLY A 64 2.591 22.745 3.738 1.00 0.00 N ATOM 898 CA GLY A 64 2.026 21.680 4.549 1.00 0.00 C ATOM 899 C GLY A 64 0.744 22.150 5.225 1.00 0.00 C ATOM 900 O GLY A 64 0.708 22.300 6.444 1.00 0.00 O ATOM 0 H GLY A 64 2.361 22.659 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.818 20.811 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.748 21.366 5.303 1.00 0.00 H new ATOM 904 N GLY A 65 -0.301 22.374 4.421 1.00 0.00 N ATOM 905 CA GLY A 65 -1.599 22.815 4.907 1.00 0.00 C ATOM 906 C GLY A 65 -2.663 22.660 3.823 1.00 0.00 C ATOM 907 O GLY A 65 -2.729 23.467 2.897 1.00 0.00 O ATOM 0 H GLY A 65 -0.263 22.252 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.880 22.234 5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.541 23.858 5.220 1.00 0.00 H new ATOM 911 N VAL A 66 -3.493 21.615 3.949 1.00 0.00 N ATOM 912 CA VAL A 66 -4.582 21.312 3.029 1.00 0.00 C ATOM 913 C VAL A 66 -5.631 22.421 3.130 1.00 0.00 C ATOM 914 O VAL A 66 -6.185 22.634 4.208 1.00 0.00 O ATOM 915 CB VAL A 66 -5.186 19.945 3.403 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.501 19.673 2.669 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.224 18.796 3.073 1.00 0.00 C ATOM 0 H VAL A 66 -3.418 20.945 4.714 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.221 21.262 2.002 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.369 19.990 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.888 18.698 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.227 20.445 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.326 19.682 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.683 17.847 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.009 18.797 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.296 18.927 3.630 1.00 0.00 H new ATOM 927 N TYR A 67 -5.902 23.108 2.010 1.00 0.00 N ATOM 928 CA TYR A 67 -6.858 24.205 1.898 1.00 0.00 C ATOM 929 C TYR A 67 -6.426 25.410 2.745 1.00 0.00 C ATOM 930 O TYR A 67 -6.373 25.340 3.972 1.00 0.00 O ATOM 931 CB TYR A 67 -8.295 23.712 2.159 1.00 0.00 C ATOM 932 CG TYR A 67 -9.156 24.612 3.028 1.00 0.00 C ATOM 933 CD1 TYR A 67 -9.576 25.866 2.547 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.525 24.200 4.322 1.00 0.00 C ATOM 935 CE1 TYR A 67 -10.364 26.703 3.359 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.311 25.039 5.131 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.729 26.291 4.651 1.00 0.00 C ATOM 938 OH TYR A 67 -11.500 27.105 5.431 1.00 0.00 O ATOM 0 H TYR A 67 -5.439 22.901 1.125 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.863 24.573 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.794 23.581 1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.242 22.729 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.294 26.186 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.204 23.238 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.689 27.664 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.594 24.720 6.123 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.663 26.672 6.295 1.00 0.00 H new ATOM 948 N THR A 68 -6.131 26.529 2.071 1.00 0.00 N ATOM 949 CA THR A 68 -5.681 27.767 2.687 1.00 0.00 C ATOM 950 C THR A 68 -6.830 28.754 2.886 1.00 0.00 C ATOM 951 O THR A 68 -7.266 28.968 4.017 1.00 0.00 O ATOM 952 CB THR A 68 -4.550 28.376 1.843 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.940 28.527 0.492 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.303 27.492 1.898 1.00 0.00 C ATOM 0 H THR A 68 -6.203 26.592 1.055 1.00 0.00 H new ATOM 0 HA THR A 68 -5.296 27.542 3.682 1.00 0.00 H new ATOM 0 HB THR A 68 -4.328 29.357 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.201 28.918 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.513 27.939 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.965 27.404 2.930 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.541 26.502 1.508 1.00 0.00 H new ATOM 962 N GLY A 69 -7.313 29.355 1.791 1.00 0.00 N ATOM 963 CA GLY A 69 -8.382 30.345 1.812 1.00 0.00 C ATOM 964 C GLY A 69 -7.836 31.771 1.922 1.00 0.00 C ATOM 965 O GLY A 69 -8.595 32.722 1.745 1.00 0.00 O ATOM 0 H GLY A 69 -6.962 29.159 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.979 30.254 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.046 30.145 2.653 1.00 0.00 H new ATOM 969 N GLY A 70 -6.533 31.932 2.206 1.00 0.00 N ATOM 970 CA GLY A 70 -5.887 33.225 2.351 1.00 0.00 C ATOM 971 C GLY A 70 -5.400 33.733 0.997 1.00 0.00 C ATOM 972 O GLY A 70 -6.148 34.412 0.296 1.00 0.00 O ATOM 0 H GLY A 70 -5.897 31.146 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.585 33.941 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.046 33.143 3.039 1.00 0.00 H new ATOM 976 N SER A 71 -4.149 33.402 0.638 1.00 0.00 N ATOM 977 CA SER A 71 -3.534 33.831 -0.613 1.00 0.00 C ATOM 978 C SER A 71 -2.667 32.731 -1.241 1.00 0.00 C ATOM 979 O SER A 71 -1.441 32.840 -1.231 1.00 0.00 O ATOM 980 CB SER A 71 -2.724 35.113 -0.366 1.00 0.00 C ATOM 981 OG SER A 71 -3.576 36.150 0.076 1.00 0.00 O ATOM 0 H SER A 71 -3.538 32.825 1.217 1.00 0.00 H new ATOM 0 HA SER A 71 -4.326 34.039 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.950 34.925 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.217 35.414 -1.283 1.00 0.00 H new ATOM 0 HG SER A 71 -3.050 36.962 0.232 1.00 0.00 H new ATOM 987 N PRO A 72 -3.282 31.678 -1.809 1.00 0.00 N ATOM 988 CA PRO A 72 -2.607 30.769 -2.722 1.00 0.00 C ATOM 989 C PRO A 72 -2.422 31.550 -4.025 1.00 0.00 C ATOM 990 O PRO A 72 -3.405 31.832 -4.709 1.00 0.00 O ATOM 991 CB PRO A 72 -3.551 29.574 -2.876 1.00 0.00 C ATOM 992 CG PRO A 72 -4.940 30.153 -2.600 1.00 0.00 C ATOM 993 CD PRO A 72 -4.677 31.306 -1.628 1.00 0.00 C ATOM 0 HA PRO A 72 -1.632 30.409 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.490 29.145 -3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.304 28.779 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.415 30.504 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.603 29.407 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.335 32.149 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.868 31.000 -0.600 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.170 31.890 -4.370 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.858 32.679 -5.553 1.00 0.00 C ATOM 1003 C GLY A 73 0.067 32.043 -6.589 1.00 0.00 C ATOM 1004 O GLY A 73 0.212 32.638 -7.654 1.00 0.00 O ATOM 0 H GLY A 73 -0.349 31.620 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.796 32.933 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.406 33.615 -5.226 1.00 0.00 H new ATOM 1008 N ALA A 74 0.695 30.882 -6.332 1.00 0.00 N ATOM 1009 CA ALA A 74 1.591 30.290 -7.323 1.00 0.00 C ATOM 1010 C ALA A 74 1.661 28.770 -7.276 1.00 0.00 C ATOM 1011 O ALA A 74 1.339 28.152 -8.279 1.00 0.00 O ATOM 1012 CB ALA A 74 2.996 30.887 -7.229 1.00 0.00 C ATOM 0 H ALA A 74 0.599 30.351 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 74 1.151 30.544 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.638 30.426 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.947 31.962 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.405 30.700 -6.236 1.00 0.00 H new ATOM 1018 N ASP A 75 2.080 28.167 -6.154 1.00 0.00 N ATOM 1019 CA ASP A 75 2.222 26.719 -6.013 1.00 0.00 C ATOM 1020 C ASP A 75 0.895 25.948 -5.969 1.00 0.00 C ATOM 1021 O ASP A 75 0.094 26.153 -5.056 1.00 0.00 O ATOM 1022 CB ASP A 75 3.022 26.424 -4.742 1.00 0.00 C ATOM 1023 CG ASP A 75 4.450 26.966 -4.796 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.609 28.188 -4.585 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.360 26.144 -5.038 1.00 0.00 O ATOM 0 H ASP A 75 2.332 28.682 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 75 2.737 26.372 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.506 26.859 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.054 25.346 -4.581 1.00 0.00 H new ATOM 1030 N ARG A 76 0.667 25.049 -6.946 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.548 24.244 -6.986 1.00 0.00 C ATOM 1032 C ARG A 76 -0.359 22.846 -7.572 1.00 0.00 C ATOM 1033 O ARG A 76 0.333 22.669 -8.572 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.690 24.990 -7.695 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.526 25.107 -9.211 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.690 25.935 -9.757 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.652 26.008 -11.219 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.589 26.602 -11.975 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.609 27.256 -11.404 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.502 26.546 -13.310 1.00 0.00 N ATOM 0 H ARG A 76 1.314 24.869 -7.714 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.821 24.088 -5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.629 24.478 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.770 25.992 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.575 25.581 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.516 24.118 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.634 25.494 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.651 26.941 -9.339 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.859 25.578 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.678 27.305 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.317 27.705 -11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.725 26.053 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.213 26.996 -13.887 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.982 21.853 -6.916 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.968 20.462 -7.345 1.00 0.00 C ATOM 1056 C VAL A 77 -2.243 20.279 -8.166 1.00 0.00 C ATOM 1057 O VAL A 77 -3.251 20.936 -7.910 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.885 19.459 -6.182 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.421 19.614 -5.395 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.061 19.534 -5.202 1.00 0.00 C ATOM 0 H VAL A 77 -1.515 22.006 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.071 20.254 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.923 18.483 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.444 18.889 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.268 19.442 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.481 20.622 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.925 18.794 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.105 20.530 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.991 19.331 -5.733 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.208 19.388 -9.154 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.341 19.146 -10.033 1.00 0.00 C ATOM 1072 C VAL A 78 -3.501 17.627 -10.171 1.00 0.00 C ATOM 1073 O VAL A 78 -2.603 16.940 -10.662 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.087 19.946 -11.326 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.148 19.704 -12.402 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.031 21.454 -10.980 1.00 0.00 C ATOM 0 H VAL A 78 -1.391 18.815 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.304 19.496 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.139 19.603 -11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.911 20.296 -13.286 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.163 18.647 -12.667 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.126 19.997 -12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.852 22.029 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.978 21.761 -10.537 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.223 21.635 -10.271 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.657 17.111 -9.718 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.984 15.689 -9.725 1.00 0.00 C ATOM 1088 C ILE A 79 -5.962 15.326 -10.850 1.00 0.00 C ATOM 1089 O ILE A 79 -6.355 16.176 -11.648 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.505 15.247 -8.331 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.979 15.586 -8.051 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.663 15.808 -7.178 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.588 14.649 -7.002 1.00 0.00 C ATOM 0 H ILE A 79 -5.401 17.691 -9.330 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.068 15.135 -9.932 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.413 14.162 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.056 16.617 -7.706 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.550 15.516 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.074 15.466 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.635 15.460 -7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.681 16.897 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.630 14.921 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.535 13.620 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.033 14.738 -6.068 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.346 14.042 -10.880 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.284 13.423 -11.805 1.00 0.00 C ATOM 1107 C ASN A 80 -8.606 13.337 -11.042 1.00 0.00 C ATOM 1108 O ASN A 80 -8.604 13.234 -9.814 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.802 12.035 -12.244 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.462 12.094 -12.976 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.423 12.261 -14.194 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.359 11.950 -12.237 1.00 0.00 N ATOM 0 H ASN A 80 -5.979 13.368 -10.208 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.386 14.003 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.708 11.391 -11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.550 11.582 -12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.441 11.977 -12.681 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.435 11.813 -11.229 1.00 0.00 H new ATOM 1119 N THR A 81 -9.737 13.361 -11.753 1.00 0.00 N ATOM 1120 CA THR A 81 -11.052 13.340 -11.127 1.00 0.00 C ATOM 1121 C THR A 81 -11.462 12.132 -10.308 1.00 0.00 C ATOM 1122 O THR A 81 -12.510 12.191 -9.662 1.00 0.00 O ATOM 1123 CB THR A 81 -12.136 13.840 -12.092 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.315 14.193 -11.399 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.473 12.747 -13.099 1.00 0.00 C ATOM 0 H THR A 81 -9.762 13.395 -12.772 1.00 0.00 H new ATOM 0 HA THR A 81 -10.936 14.057 -10.314 1.00 0.00 H new ATOM 0 HB THR A 81 -11.747 14.722 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.360 13.697 -10.555 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.243 13.106 -13.782 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.579 12.486 -13.665 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.839 11.866 -12.571 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.679 11.053 -10.292 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.068 9.931 -9.477 1.00 0.00 C ATOM 1135 C ASN A 82 -10.418 10.238 -8.133 1.00 0.00 C ATOM 1136 O ASN A 82 -11.062 10.699 -7.197 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.606 8.613 -10.118 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.798 7.424 -9.176 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.771 7.371 -8.425 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.866 6.468 -9.210 1.00 0.00 N ATOM 0 H ASN A 82 -9.810 10.944 -10.814 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.144 9.799 -9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.164 8.441 -11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.554 8.692 -10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.946 5.656 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.074 6.550 -9.848 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.118 9.978 -8.083 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.275 10.146 -6.908 1.00 0.00 C ATOM 1149 C CYS A 83 -6.770 10.164 -7.184 1.00 0.00 C ATOM 1150 O CYS A 83 -6.001 10.495 -6.281 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.626 9.090 -5.847 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.539 9.653 -4.125 1.00 0.00 S ATOM 0 H CYS A 83 -8.603 9.631 -8.892 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.498 11.145 -6.532 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.635 8.727 -6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.953 8.241 -5.968 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.332 9.829 -8.406 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.914 9.751 -8.736 1.00 0.00 C ATOM 1159 C GLU A 84 -4.347 11.140 -8.981 1.00 0.00 C ATOM 1160 O GLU A 84 -5.080 12.028 -9.391 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.749 8.830 -9.953 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.284 8.635 -10.364 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.133 7.492 -11.366 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.488 6.352 -10.991 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.659 7.770 -12.487 1.00 0.00 O ATOM 0 H GLU A 84 -6.952 9.607 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.351 9.331 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.190 7.859 -9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.304 9.246 -10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.902 9.557 -10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.681 8.428 -9.480 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.050 11.327 -8.719 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.351 12.591 -8.881 1.00 0.00 C ATOM 1174 C TYR A 85 -1.701 12.650 -10.269 1.00 0.00 C ATOM 1175 O TYR A 85 -1.119 11.657 -10.708 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.322 12.703 -7.750 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.424 13.923 -7.782 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.895 15.156 -8.270 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.898 13.823 -7.312 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -0.052 16.274 -8.302 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.737 14.946 -7.343 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.266 16.166 -7.836 1.00 0.00 C ATOM 1183 OH TYR A 85 2.094 17.241 -7.868 1.00 0.00 O ATOM 0 H TYR A 85 -2.447 10.578 -8.379 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.036 13.437 -8.819 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.855 12.695 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.692 11.813 -7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.913 15.241 -8.622 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.266 12.883 -6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.416 17.216 -8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.753 14.868 -6.984 1.00 0.00 H new ATOM 0 HH TYR A 85 2.943 16.988 -8.287 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.786 13.803 -10.957 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.229 13.980 -12.292 1.00 0.00 C ATOM 1195 C ALA A 86 0.161 14.615 -12.220 1.00 0.00 C ATOM 1196 O ALA A 86 1.129 14.036 -12.712 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.200 14.802 -13.147 1.00 0.00 C ATOM 0 H ALA A 86 -2.247 14.637 -10.592 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.103 13.007 -12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.783 14.934 -14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.154 14.279 -13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.354 15.778 -12.686 1.00 0.00 H new ATOM 1203 N GLY A 87 0.260 15.801 -11.606 1.00 0.00 N ATOM 1204 CA GLY A 87 1.513 16.521 -11.443 1.00 0.00 C ATOM 1205 C GLY A 87 1.258 17.953 -10.980 1.00 0.00 C ATOM 1206 O GLY A 87 0.118 18.416 -10.999 1.00 0.00 O ATOM 0 H GLY A 87 -0.543 16.287 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.142 16.006 -10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.058 16.531 -12.387 1.00 0.00 H new ATOM 1210 N ALA A 88 2.328 18.652 -10.571 1.00 0.00 N ATOM 1211 CA ALA A 88 2.262 20.023 -10.075 1.00 0.00 C ATOM 1212 C ALA A 88 2.847 21.033 -11.053 1.00 0.00 C ATOM 1213 O ALA A 88 3.692 20.720 -11.893 1.00 0.00 O ATOM 1214 CB ALA A 88 3.011 20.154 -8.745 1.00 0.00 C ATOM 0 H ALA A 88 3.274 18.270 -10.578 1.00 0.00 H new ATOM 0 HA ALA A 88 1.203 20.243 -9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.950 21.184 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.561 19.490 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.057 19.881 -8.888 1.00 0.00 H new ATOM 1220 N ILE A 89 2.360 22.267 -10.891 1.00 0.00 N ATOM 1221 CA ILE A 89 2.734 23.452 -11.640 1.00 0.00 C ATOM 1222 C ILE A 89 2.808 24.600 -10.632 1.00 0.00 C ATOM 1223 O ILE A 89 2.177 24.536 -9.575 1.00 0.00 O ATOM 1224 CB ILE A 89 1.751 23.705 -12.799 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.296 23.830 -12.307 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.880 22.574 -13.829 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.695 24.109 -13.441 1.00 0.00 C ATOM 0 H ILE A 89 1.650 22.469 -10.187 1.00 0.00 H new ATOM 0 HA ILE A 89 3.704 23.340 -12.124 1.00 0.00 H new ATOM 0 HB ILE A 89 2.009 24.657 -13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.009 22.909 -11.799 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.234 24.632 -11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.186 22.749 -14.651 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.899 22.547 -14.214 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.647 21.621 -13.354 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.703 24.187 -13.033 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.430 25.044 -13.934 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.659 23.295 -14.165 1.00 0.00 H new ATOM 1239 N THR A 90 3.581 25.648 -10.934 1.00 0.00 N ATOM 1240 CA THR A 90 3.732 26.772 -10.021 1.00 0.00 C ATOM 1241 C THR A 90 4.105 28.067 -10.734 1.00 0.00 C ATOM 1242 O THR A 90 4.648 28.014 -11.833 1.00 0.00 O ATOM 1243 CB THR A 90 4.820 26.432 -8.984 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.031 27.519 -8.105 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.149 26.058 -9.656 1.00 0.00 C ATOM 0 H THR A 90 4.108 25.736 -11.803 1.00 0.00 H new ATOM 0 HA THR A 90 2.767 26.935 -9.541 1.00 0.00 H new ATOM 0 HB THR A 90 4.463 25.570 -8.419 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.724 27.283 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.890 25.825 -8.892 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.001 25.188 -10.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.500 26.895 -10.259 1.00 0.00 H new ATOM 1253 N HIS A 91 3.806 29.226 -10.118 1.00 0.00 N ATOM 1254 CA HIS A 91 4.227 30.488 -10.738 1.00 0.00 C ATOM 1255 C HIS A 91 5.720 30.695 -10.464 1.00 0.00 C ATOM 1256 O HIS A 91 6.468 30.954 -11.404 1.00 0.00 O ATOM 1257 CB HIS A 91 3.506 31.802 -10.372 1.00 0.00 C ATOM 1258 CG HIS A 91 2.046 31.916 -10.701 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.294 33.017 -10.324 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.178 31.101 -11.378 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.045 32.823 -10.777 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.093 31.669 -11.428 1.00 0.00 N ATOM 0 H HIS A 91 3.300 29.313 -9.236 1.00 0.00 H new ATOM 0 HA HIS A 91 3.953 30.330 -11.781 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.621 31.959 -9.299 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.026 32.619 -10.871 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.443 30.149 -11.813 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.761 33.527 -10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.934 31.289 -11.862 1.00 0.00 H new ATOM 1270 N THR A 92 6.138 30.565 -9.193 1.00 0.00 N ATOM 1271 CA THR A 92 7.489 30.726 -8.655 1.00 0.00 C ATOM 1272 C THR A 92 8.272 31.962 -9.138 1.00 0.00 C ATOM 1273 O THR A 92 9.487 32.033 -8.950 1.00 0.00 O ATOM 1274 CB THR A 92 8.254 29.402 -8.771 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.389 29.394 -7.930 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.675 29.137 -10.212 1.00 0.00 C ATOM 0 H THR A 92 5.476 30.323 -8.455 1.00 0.00 H new ATOM 0 HA THR A 92 7.372 30.965 -7.598 1.00 0.00 H new ATOM 0 HB THR A 92 7.579 28.607 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.875 30.239 -8.029 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.215 28.192 -10.265 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.790 29.085 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.321 29.944 -10.557 1.00 0.00 H new ATOM 1284 N GLY A 93 7.587 32.938 -9.743 1.00 0.00 N ATOM 1285 CA GLY A 93 8.164 34.165 -10.268 1.00 0.00 C ATOM 1286 C GLY A 93 8.591 33.984 -11.723 1.00 0.00 C ATOM 1287 O GLY A 93 9.718 34.323 -12.081 1.00 0.00 O ATOM 0 H GLY A 93 6.578 32.886 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.437 34.974 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.025 34.455 -9.665 1.00 0.00 H new ATOM 1291 N ALA A 94 7.686 33.451 -12.557 1.00 0.00 N ATOM 1292 CA ALA A 94 7.915 33.218 -13.975 1.00 0.00 C ATOM 1293 C ALA A 94 7.631 34.499 -14.761 1.00 0.00 C ATOM 1294 O ALA A 94 8.548 35.280 -15.012 1.00 0.00 O ATOM 1295 CB ALA A 94 7.068 32.026 -14.440 1.00 0.00 C ATOM 0 H ALA A 94 6.756 33.166 -12.249 1.00 0.00 H new ATOM 0 HA ALA A 94 8.958 32.961 -14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.239 31.851 -15.502 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.350 31.137 -13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.013 32.242 -14.273 1.00 0.00 H new ATOM 1301 N SER A 95 6.368 34.704 -15.151 1.00 0.00 N ATOM 1302 CA SER A 95 5.907 35.871 -15.892 1.00 0.00 C ATOM 1303 C SER A 95 4.466 36.180 -15.477 1.00 0.00 C ATOM 1304 O SER A 95 3.545 36.110 -16.288 1.00 0.00 O ATOM 1305 CB SER A 95 6.050 35.647 -17.407 1.00 0.00 C ATOM 1306 OG SER A 95 7.401 35.452 -17.763 1.00 0.00 O ATOM 0 H SER A 95 5.620 34.039 -14.951 1.00 0.00 H new ATOM 0 HA SER A 95 6.525 36.736 -15.653 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.462 34.780 -17.707 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.649 36.506 -17.945 1.00 0.00 H new ATOM 0 HG SER A 95 7.467 35.310 -18.730 1.00 0.00 H new ATOM 1312 N GLY A 96 4.280 36.517 -14.195 1.00 0.00 N ATOM 1313 CA GLY A 96 2.990 36.861 -13.617 1.00 0.00 C ATOM 1314 C GLY A 96 2.091 35.635 -13.470 1.00 0.00 C ATOM 1315 O GLY A 96 2.277 34.841 -12.551 1.00 0.00 O ATOM 0 H GLY A 96 5.045 36.557 -13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.140 37.321 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.495 37.601 -14.246 1.00 0.00 H new ATOM 1319 N ASN A 97 1.125 35.484 -14.384 1.00 0.00 N ATOM 1320 CA ASN A 97 0.167 34.385 -14.381 1.00 0.00 C ATOM 1321 C ASN A 97 0.766 33.101 -14.957 1.00 0.00 C ATOM 1322 O ASN A 97 0.323 32.014 -14.589 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.078 34.798 -15.179 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.150 33.708 -15.175 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.317 32.997 -16.165 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.883 33.574 -14.065 1.00 0.00 N ATOM 0 H ASN A 97 0.989 36.136 -15.157 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.107 34.174 -13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.491 35.714 -14.757 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.792 35.021 -16.207 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.612 32.862 -14.018 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.713 34.184 -13.265 1.00 0.00 H new ATOM 1333 N ASN A 98 1.764 33.223 -15.848 1.00 0.00 N ATOM 1334 CA ASN A 98 2.423 32.095 -16.492 1.00 0.00 C ATOM 1335 C ASN A 98 2.869 31.053 -15.469 1.00 0.00 C ATOM 1336 O ASN A 98 3.507 31.382 -14.471 1.00 0.00 O ATOM 1337 CB ASN A 98 3.627 32.561 -17.316 1.00 0.00 C ATOM 1338 CG ASN A 98 3.210 33.253 -18.613 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.319 32.667 -19.689 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.738 34.499 -18.524 1.00 0.00 N ATOM 0 H ASN A 98 2.135 34.127 -16.140 1.00 0.00 H new ATOM 0 HA ASN A 98 1.695 31.634 -17.160 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.230 33.246 -16.719 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.257 31.703 -17.551 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.453 34.998 -19.367 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.662 34.952 -17.613 1.00 0.00 H new ATOM 1347 N PHE A 99 2.505 29.797 -15.746 1.00 0.00 N ATOM 1348 CA PHE A 99 2.798 28.640 -14.924 1.00 0.00 C ATOM 1349 C PHE A 99 3.934 27.829 -15.539 1.00 0.00 C ATOM 1350 O PHE A 99 3.934 27.575 -16.743 1.00 0.00 O ATOM 1351 CB PHE A 99 1.543 27.753 -14.864 1.00 0.00 C ATOM 1352 CG PHE A 99 0.648 28.054 -13.688 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.971 27.491 -12.446 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.490 28.873 -13.815 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.179 27.756 -11.323 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.288 29.138 -12.687 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.945 28.589 -11.438 1.00 0.00 C ATOM 0 H PHE A 99 1.977 29.559 -16.586 1.00 0.00 H new ATOM 0 HA PHE A 99 3.090 28.972 -13.928 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.974 27.880 -15.785 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.849 26.708 -14.819 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.835 26.850 -12.355 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.749 29.296 -14.774 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.433 27.320 -10.368 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.164 29.763 -12.780 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.546 28.808 -10.568 1.00 0.00 H new ATOM 1367 N VAL A 100 4.896 27.437 -14.696 1.00 0.00 N ATOM 1368 CA VAL A 100 6.041 26.617 -15.064 1.00 0.00 C ATOM 1369 C VAL A 100 5.862 25.257 -14.394 1.00 0.00 C ATOM 1370 O VAL A 100 5.057 25.101 -13.478 1.00 0.00 O ATOM 1371 CB VAL A 100 7.385 27.283 -14.729 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.616 28.471 -15.664 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.503 27.716 -13.267 1.00 0.00 C ATOM 0 H VAL A 100 4.893 27.693 -13.709 1.00 0.00 H new ATOM 0 HA VAL A 100 6.076 26.491 -16.146 1.00 0.00 H new ATOM 0 HB VAL A 100 8.160 26.532 -14.881 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.569 28.942 -15.425 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.632 28.123 -16.697 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.812 29.196 -15.537 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.476 28.178 -13.102 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.716 28.434 -13.036 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.401 26.845 -12.620 1.00 0.00 H new ATOM 1383 N GLY A 101 6.635 24.274 -14.857 1.00 0.00 N ATOM 1384 CA GLY A 101 6.567 22.908 -14.363 1.00 0.00 C ATOM 1385 C GLY A 101 7.355 22.670 -13.077 1.00 0.00 C ATOM 1386 O GLY A 101 8.474 23.158 -12.931 1.00 0.00 O ATOM 0 H GLY A 101 7.330 24.410 -15.591 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.523 22.647 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.940 22.235 -15.135 1.00 0.00 H new ATOM 1390 N CYS A 102 6.753 21.913 -12.148 1.00 0.00 N ATOM 1391 CA CYS A 102 7.348 21.528 -10.872 1.00 0.00 C ATOM 1392 C CYS A 102 8.224 20.296 -11.150 1.00 0.00 C ATOM 1393 O CYS A 102 8.426 19.928 -12.307 1.00 0.00 O ATOM 1394 CB CYS A 102 6.203 21.198 -9.898 1.00 0.00 C ATOM 1395 SG CYS A 102 6.497 21.283 -8.104 1.00 0.00 S ATOM 0 H CYS A 102 5.810 21.544 -12.273 1.00 0.00 H new ATOM 0 HA CYS A 102 7.957 22.316 -10.430 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.377 21.872 -10.125 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.862 20.188 -10.125 1.00 0.00 H new ATOM 1400 N SER A 103 8.766 19.650 -10.113 1.00 0.00 N ATOM 1401 CA SER A 103 9.572 18.451 -10.326 1.00 0.00 C ATOM 1402 C SER A 103 8.661 17.334 -10.838 1.00 0.00 C ATOM 1403 O SER A 103 7.538 17.175 -10.361 1.00 0.00 O ATOM 1404 CB SER A 103 10.287 18.023 -9.050 1.00 0.00 C ATOM 1405 OG SER A 103 11.217 19.013 -8.686 1.00 0.00 O ATOM 0 H SER A 103 8.663 19.932 -9.138 1.00 0.00 H new ATOM 0 HA SER A 103 10.344 18.667 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.565 17.873 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.794 17.071 -9.205 1.00 0.00 H new ATOM 0 HG SER A 103 10.748 19.857 -8.517 1.00 0.00 H new ATOM 1411 N GLY A 104 9.156 16.566 -11.814 1.00 0.00 N ATOM 1412 CA GLY A 104 8.413 15.483 -12.437 1.00 0.00 C ATOM 1413 C GLY A 104 7.436 16.044 -13.476 1.00 0.00 C ATOM 1414 O GLY A 104 6.352 15.497 -13.667 1.00 0.00 O ATOM 0 H GLY A 104 10.095 16.686 -12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.102 14.786 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.867 14.923 -11.678 1.00 0.00 H new ATOM 1418 N THR A 105 7.830 17.144 -14.134 1.00 0.00 N ATOM 1419 CA THR A 105 7.082 17.842 -15.168 1.00 0.00 C ATOM 1420 C THR A 105 8.119 18.581 -16.015 1.00 0.00 C ATOM 1421 O THR A 105 8.844 19.423 -15.489 1.00 0.00 O ATOM 1422 CB THR A 105 6.055 18.809 -14.544 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.098 18.106 -13.777 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.312 19.619 -15.610 1.00 0.00 C ATOM 0 H THR A 105 8.728 17.587 -13.942 1.00 0.00 H new ATOM 0 HA THR A 105 6.505 17.151 -15.783 1.00 0.00 H new ATOM 0 HB THR A 105 6.622 19.488 -13.907 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.459 18.740 -13.390 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.599 20.287 -15.128 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.028 20.206 -16.185 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.780 18.941 -16.277 1.00 0.00 H new ATOM 1432 N ASN A 106 8.185 18.250 -17.315 1.00 0.00 N ATOM 1433 CA ASN A 106 9.112 18.818 -18.289 1.00 0.00 C ATOM 1434 C ASN A 106 10.554 18.429 -17.950 1.00 0.00 C ATOM 1435 O ASN A 106 11.215 19.213 -17.234 1.00 0.00 O ATOM 1436 CB ASN A 106 8.908 20.336 -18.445 1.00 0.00 C ATOM 1437 CG ASN A 106 9.748 20.908 -19.585 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.831 21.442 -19.354 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.247 20.806 -20.819 1.00 0.00 N ATOM 1440 OXT ASN A 106 10.921 17.283 -18.292 1.00 0.00 O ATOM 0 H ASN A 106 7.566 17.551 -17.726 1.00 0.00 H new ATOM 0 HA ASN A 106 8.896 18.391 -19.268 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.854 20.544 -18.631 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.172 20.836 -17.513 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.767 21.179 -21.613 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.344 20.355 -20.967 1.00 0.00 H new