USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 415 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 21 SER OG : rot 162:sc= 0.725 USER MOD Set 1.2: A 57 SER OG : rot 166:sc= 0.827 USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.0573 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 10 SER OG : rot 167:sc= -1.78! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 134:sc= 0.742 (180deg=0.0236) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 42 SER OG : rot -3:sc= 0.892 USER MOD Single : A 52 SER OG : rot -170:sc= -0.0904 USER MOD Single : A 53 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= 0.0875 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.76 (180deg=1.56) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 67 ASN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 70 ASN : amide:sc= -0.551 K(o=-0.55,f=-4.3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 76 ASN : amide:sc= 1.04 K(o=1,f=-0.032) USER MOD Single : A 79 ASN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.270 7.103 6.412 1.00 0.00 N ATOM 2 CA ALA A 1 -8.372 5.942 6.594 1.00 0.00 C ATOM 3 C ALA A 1 -9.120 4.652 6.306 1.00 0.00 C ATOM 4 O ALA A 1 -10.335 4.576 6.492 1.00 0.00 O ATOM 5 CB ALA A 1 -7.809 5.916 8.010 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.014 7.607 5.539 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.254 6.774 6.345 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.175 7.746 7.224 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.542 6.035 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.151 5.055 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.245 6.830 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.628 5.844 8.726 1.00 0.00 H new ATOM 13 N THR A 2 -8.397 3.647 5.842 1.00 0.00 N ATOM 14 CA THR A 2 -8.972 2.342 5.581 1.00 0.00 C ATOM 15 C THR A 2 -8.835 1.461 6.814 1.00 0.00 C ATOM 16 O THR A 2 -7.822 1.523 7.512 1.00 0.00 O ATOM 17 CB THR A 2 -8.278 1.662 4.388 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.207 2.494 3.913 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.264 1.404 3.259 1.00 0.00 C ATOM 0 H THR A 2 -7.400 3.714 5.637 1.00 0.00 H new ATOM 0 HA THR A 2 -10.026 2.478 5.339 1.00 0.00 H new ATOM 0 HB THR A 2 -7.880 0.704 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.766 2.058 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.748 0.923 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.063 0.754 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.688 2.350 2.923 1.00 0.00 H new ATOM 27 N THR A 3 -9.848 0.664 7.095 1.00 0.00 N ATOM 28 CA THR A 3 -9.809 -0.210 8.253 1.00 0.00 C ATOM 29 C THR A 3 -9.471 -1.637 7.842 1.00 0.00 C ATOM 30 O THR A 3 -10.168 -2.245 7.028 1.00 0.00 O ATOM 31 CB THR A 3 -11.145 -0.193 9.019 1.00 0.00 C ATOM 32 OG1 THR A 3 -11.744 1.109 8.942 1.00 0.00 O ATOM 33 CG2 THR A 3 -10.930 -0.573 10.477 1.00 0.00 C ATOM 0 H THR A 3 -10.703 0.603 6.542 1.00 0.00 H new ATOM 0 HA THR A 3 -9.029 0.166 8.915 1.00 0.00 H new ATOM 0 HB THR A 3 -11.812 -0.922 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.593 1.108 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.885 -0.555 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.503 -1.575 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.247 0.139 10.942 1.00 0.00 H new ATOM 41 N ILE A 4 -8.387 -2.161 8.390 1.00 0.00 N ATOM 42 CA ILE A 4 -7.969 -3.518 8.094 1.00 0.00 C ATOM 43 C ILE A 4 -8.706 -4.503 8.993 1.00 0.00 C ATOM 44 O ILE A 4 -8.680 -4.378 10.218 1.00 0.00 O ATOM 45 CB ILE A 4 -6.442 -3.689 8.268 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.699 -2.900 7.183 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.049 -5.163 8.220 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.226 -2.705 7.464 1.00 0.00 C ATOM 0 H ILE A 4 -7.781 -1.665 9.043 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.217 -3.723 7.053 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.160 -3.298 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.811 -3.418 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.170 -1.923 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.970 -5.256 8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.555 -5.701 9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.341 -5.586 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.772 -2.138 6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.103 -2.159 8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.739 -3.677 7.545 1.00 0.00 H new ATOM 60 N GLY A 5 -9.374 -5.471 8.387 1.00 0.00 N ATOM 61 CA GLY A 5 -10.103 -6.453 9.156 1.00 0.00 C ATOM 62 C GLY A 5 -9.521 -7.840 8.998 1.00 0.00 C ATOM 63 O GLY A 5 -8.679 -8.060 8.128 1.00 0.00 O ATOM 0 H GLY A 5 -9.424 -5.593 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.090 -6.172 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.146 -6.459 8.841 1.00 0.00 H new ATOM 67 N PRO A 6 -9.945 -8.801 9.832 1.00 0.00 N ATOM 68 CA PRO A 6 -9.480 -10.188 9.745 1.00 0.00 C ATOM 69 C PRO A 6 -9.915 -10.846 8.440 1.00 0.00 C ATOM 70 O PRO A 6 -9.275 -11.777 7.952 1.00 0.00 O ATOM 71 CB PRO A 6 -10.150 -10.883 10.942 1.00 0.00 C ATOM 72 CG PRO A 6 -10.617 -9.781 11.832 1.00 0.00 C ATOM 73 CD PRO A 6 -10.903 -8.614 10.932 1.00 0.00 C ATOM 0 HA PRO A 6 -8.392 -10.254 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.984 -11.506 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.448 -11.535 11.461 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.510 -10.077 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.856 -9.527 12.570 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.933 -8.622 10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.750 -7.663 11.443 1.00 0.00 H new ATOM 81 N ASN A 7 -11.008 -10.342 7.874 1.00 0.00 N ATOM 82 CA ASN A 7 -11.567 -10.898 6.650 1.00 0.00 C ATOM 83 C ASN A 7 -12.016 -9.790 5.708 1.00 0.00 C ATOM 84 O ASN A 7 -13.173 -9.748 5.293 1.00 0.00 O ATOM 85 CB ASN A 7 -12.747 -11.833 6.953 1.00 0.00 C ATOM 86 CG ASN A 7 -13.280 -11.686 8.367 1.00 0.00 C ATOM 87 OD1 ASN A 7 -13.906 -10.680 8.706 1.00 0.00 O ATOM 88 ND2 ASN A 7 -13.028 -12.680 9.204 1.00 0.00 N ATOM 0 H ASN A 7 -11.525 -9.546 8.247 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.781 -11.477 6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.552 -11.632 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.434 -12.865 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.356 -12.630 10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.506 -13.496 8.884 1.00 0.00 H new ATOM 95 N THR A 8 -11.105 -8.885 5.387 1.00 0.00 N ATOM 96 CA THR A 8 -11.388 -7.844 4.413 1.00 0.00 C ATOM 97 C THR A 8 -11.559 -8.450 3.022 1.00 0.00 C ATOM 98 O THR A 8 -12.490 -8.114 2.287 1.00 0.00 O ATOM 99 CB THR A 8 -10.264 -6.793 4.385 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.414 -6.963 5.530 1.00 0.00 O ATOM 101 CG2 THR A 8 -10.839 -5.384 4.380 1.00 0.00 C ATOM 0 H THR A 8 -10.167 -8.850 5.785 1.00 0.00 H new ATOM 0 HA THR A 8 -12.315 -7.353 4.708 1.00 0.00 H new ATOM 0 HB THR A 8 -9.684 -6.933 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.699 -6.294 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.025 -4.659 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.466 -5.250 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.438 -5.232 5.278 1.00 0.00 H new ATOM 109 N CYS A 9 -10.654 -9.358 2.676 1.00 0.00 N ATOM 110 CA CYS A 9 -10.702 -10.060 1.400 1.00 0.00 C ATOM 111 C CYS A 9 -9.963 -11.387 1.525 1.00 0.00 C ATOM 112 O CYS A 9 -9.428 -11.918 0.549 1.00 0.00 O ATOM 113 CB CYS A 9 -10.069 -9.203 0.297 1.00 0.00 C ATOM 114 SG CYS A 9 -8.873 -7.964 0.907 1.00 0.00 S ATOM 0 H CYS A 9 -9.869 -9.627 3.270 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.742 -10.250 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.566 -9.859 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.861 -8.690 -0.249 1.00 0.00 H new ATOM 119 N SER A 10 -9.937 -11.912 2.741 1.00 0.00 N ATOM 120 CA SER A 10 -9.180 -13.112 3.049 1.00 0.00 C ATOM 121 C SER A 10 -9.957 -14.374 2.683 1.00 0.00 C ATOM 122 O SER A 10 -10.617 -14.980 3.527 1.00 0.00 O ATOM 123 CB SER A 10 -8.823 -13.116 4.536 1.00 0.00 C ATOM 124 OG SER A 10 -9.144 -11.864 5.129 1.00 0.00 O ATOM 0 H SER A 10 -10.438 -11.519 3.538 1.00 0.00 H new ATOM 0 HA SER A 10 -8.267 -13.109 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.364 -13.915 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.760 -13.322 4.660 1.00 0.00 H new ATOM 0 HG SER A 10 -9.115 -11.947 6.105 1.00 0.00 H new ATOM 130 N ILE A 11 -9.892 -14.755 1.412 1.00 0.00 N ATOM 131 CA ILE A 11 -10.478 -16.011 0.960 1.00 0.00 C ATOM 132 C ILE A 11 -9.654 -17.176 1.491 1.00 0.00 C ATOM 133 O ILE A 11 -10.167 -18.077 2.155 1.00 0.00 O ATOM 134 CB ILE A 11 -10.538 -16.093 -0.581 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.749 -14.703 -1.199 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.636 -17.055 -1.018 1.00 0.00 C ATOM 137 CD1 ILE A 11 -12.102 -14.087 -0.895 1.00 0.00 C ATOM 0 H ILE A 11 -9.439 -14.212 0.677 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.498 -16.060 1.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.582 -16.474 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.968 -14.034 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.630 -14.776 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.666 -17.102 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.431 -18.048 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.598 -16.704 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.170 -13.107 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.891 -14.732 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.218 -13.979 0.183 1.00 0.00 H new ATOM 149 N ASP A 12 -8.363 -17.135 1.191 1.00 0.00 N ATOM 150 CA ASP A 12 -7.405 -18.079 1.748 1.00 0.00 C ATOM 151 C ASP A 12 -6.836 -17.500 3.034 1.00 0.00 C ATOM 152 O ASP A 12 -7.504 -16.721 3.715 1.00 0.00 O ATOM 153 CB ASP A 12 -6.274 -18.331 0.747 1.00 0.00 C ATOM 154 CG ASP A 12 -5.983 -19.803 0.543 1.00 0.00 C ATOM 155 OD1 ASP A 12 -5.420 -20.440 1.457 1.00 0.00 O ATOM 156 OD2 ASP A 12 -6.304 -20.327 -0.542 1.00 0.00 O ATOM 0 H ASP A 12 -7.952 -16.449 0.557 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.903 -19.026 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.537 -17.882 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.370 -17.832 1.095 1.00 0.00 H new ATOM 161 N ASP A 13 -5.599 -17.842 3.357 1.00 0.00 N ATOM 162 CA ASP A 13 -4.913 -17.207 4.477 1.00 0.00 C ATOM 163 C ASP A 13 -4.324 -15.879 4.017 1.00 0.00 C ATOM 164 O ASP A 13 -3.128 -15.600 4.168 1.00 0.00 O ATOM 165 CB ASP A 13 -3.841 -18.127 5.080 1.00 0.00 C ATOM 166 CG ASP A 13 -2.689 -18.432 4.142 1.00 0.00 C ATOM 167 OD1 ASP A 13 -2.934 -18.670 2.943 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.531 -18.445 4.609 1.00 0.00 O ATOM 0 H ASP A 13 -5.051 -18.549 2.866 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.634 -17.016 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.446 -17.664 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.309 -19.064 5.380 1.00 0.00 H new ATOM 173 N TYR A 14 -5.203 -15.052 3.473 1.00 0.00 N ATOM 174 CA TYR A 14 -4.820 -13.800 2.857 1.00 0.00 C ATOM 175 C TYR A 14 -4.565 -12.738 3.900 1.00 0.00 C ATOM 176 O TYR A 14 -5.491 -12.235 4.540 1.00 0.00 O ATOM 177 CB TYR A 14 -5.907 -13.338 1.888 1.00 0.00 C ATOM 178 CG TYR A 14 -5.835 -14.019 0.545 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.757 -14.823 0.227 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.833 -13.853 -0.400 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.667 -15.445 -0.998 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.756 -14.475 -1.634 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.667 -15.268 -1.930 1.00 0.00 C ATOM 184 OH TYR A 14 -5.583 -15.893 -3.155 1.00 0.00 O ATOM 0 H TYR A 14 -6.206 -15.235 3.448 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.894 -13.961 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.884 -13.527 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.824 -12.260 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.970 -14.966 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.684 -13.229 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.816 -16.069 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.544 -14.340 -2.361 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.369 -15.664 -3.693 1.00 0.00 H new ATOM 194 N LYS A 15 -3.303 -12.409 4.073 1.00 0.00 N ATOM 195 CA LYS A 15 -2.912 -11.355 4.975 1.00 0.00 C ATOM 196 C LYS A 15 -3.041 -10.025 4.259 1.00 0.00 C ATOM 197 O LYS A 15 -2.673 -9.911 3.086 1.00 0.00 O ATOM 198 CB LYS A 15 -1.471 -11.556 5.460 1.00 0.00 C ATOM 199 CG LYS A 15 -1.067 -13.014 5.608 1.00 0.00 C ATOM 200 CD LYS A 15 -0.225 -13.473 4.431 1.00 0.00 C ATOM 201 CE LYS A 15 0.554 -14.731 4.762 1.00 0.00 C ATOM 202 NZ LYS A 15 -0.341 -15.873 5.104 1.00 0.00 N ATOM 0 H LYS A 15 -2.525 -12.863 3.594 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.564 -11.372 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.792 -11.071 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.349 -11.056 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.506 -13.146 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.959 -13.635 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.869 -13.658 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.466 -12.680 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.179 -15.003 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.223 -14.532 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.023 -16.726 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.310 -16.043 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.316 -15.647 4.820 1.00 0.00 H new ATOM 216 N PRO A 16 -3.609 -9.019 4.925 1.00 0.00 N ATOM 217 CA PRO A 16 -3.723 -7.679 4.368 1.00 0.00 C ATOM 218 C PRO A 16 -2.365 -6.997 4.279 1.00 0.00 C ATOM 219 O PRO A 16 -1.573 -7.056 5.212 1.00 0.00 O ATOM 220 CB PRO A 16 -4.635 -6.942 5.360 1.00 0.00 C ATOM 221 CG PRO A 16 -5.230 -8.012 6.212 1.00 0.00 C ATOM 222 CD PRO A 16 -4.208 -9.103 6.259 1.00 0.00 C ATOM 0 HA PRO A 16 -4.117 -7.687 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.069 -6.229 5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.408 -6.377 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.452 -7.639 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.169 -8.372 5.791 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.473 -8.939 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.660 -10.078 6.442 1.00 0.00 H new ATOM 230 N TYR A 17 -2.090 -6.385 3.147 1.00 0.00 N ATOM 231 CA TYR A 17 -0.859 -5.637 2.959 1.00 0.00 C ATOM 232 C TYR A 17 -1.183 -4.165 2.774 1.00 0.00 C ATOM 233 O TYR A 17 -2.190 -3.826 2.147 1.00 0.00 O ATOM 234 CB TYR A 17 -0.088 -6.152 1.740 1.00 0.00 C ATOM 235 CG TYR A 17 0.630 -7.468 1.958 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.064 -8.610 2.331 1.00 0.00 C ATOM 237 CD2 TYR A 17 2.001 -7.571 1.769 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.585 -9.815 2.508 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.659 -8.770 1.947 1.00 0.00 C ATOM 240 CZ TYR A 17 1.945 -9.890 2.316 1.00 0.00 C ATOM 241 OH TYR A 17 2.592 -11.088 2.502 1.00 0.00 O ATOM 0 H TYR A 17 -2.707 -6.390 2.335 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.234 -5.769 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.783 -6.266 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.643 -5.399 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.131 -8.555 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.563 -6.696 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.028 -10.694 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.727 -8.831 1.798 1.00 0.00 H new ATOM 0 HH TYR A 17 1.981 -11.825 2.293 1.00 0.00 H new ATOM 251 N CYS A 18 -0.346 -3.300 3.320 1.00 0.00 N ATOM 252 CA CYS A 18 -0.573 -1.865 3.223 1.00 0.00 C ATOM 253 C CYS A 18 0.582 -1.188 2.495 1.00 0.00 C ATOM 254 O CYS A 18 1.707 -1.136 3.000 1.00 0.00 O ATOM 255 CB CYS A 18 -0.746 -1.255 4.617 1.00 0.00 C ATOM 256 SG CYS A 18 -1.769 0.252 4.646 1.00 0.00 S ATOM 0 H CYS A 18 0.495 -3.563 3.834 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.488 -1.702 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.195 -1.999 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.238 -1.022 5.025 1.00 0.00 H new ATOM 261 N CYS A 19 0.294 -0.673 1.308 1.00 0.00 N ATOM 262 CA CYS A 19 1.283 0.027 0.501 1.00 0.00 C ATOM 263 C CYS A 19 0.577 1.039 -0.394 1.00 0.00 C ATOM 264 O CYS A 19 -0.548 0.802 -0.826 1.00 0.00 O ATOM 265 CB CYS A 19 2.073 -0.962 -0.366 1.00 0.00 C ATOM 266 SG CYS A 19 3.325 -1.939 0.536 1.00 0.00 S ATOM 0 H CYS A 19 -0.629 -0.728 0.878 1.00 0.00 H new ATOM 0 HA CYS A 19 1.980 0.539 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.372 -1.647 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.569 -0.409 -1.163 1.00 0.00 H new ATOM 271 N GLN A 20 1.225 2.162 -0.665 1.00 0.00 N ATOM 272 CA GLN A 20 0.631 3.186 -1.513 1.00 0.00 C ATOM 273 C GLN A 20 1.068 2.987 -2.957 1.00 0.00 C ATOM 274 O GLN A 20 2.244 2.741 -3.232 1.00 0.00 O ATOM 275 CB GLN A 20 1.019 4.588 -1.028 1.00 0.00 C ATOM 276 CG GLN A 20 -0.044 5.639 -1.308 1.00 0.00 C ATOM 277 CD GLN A 20 0.355 7.020 -0.823 1.00 0.00 C ATOM 278 OE1 GLN A 20 -0.401 7.684 -0.112 1.00 0.00 O ATOM 279 NE2 GLN A 20 1.537 7.469 -1.217 1.00 0.00 N ATOM 0 H GLN A 20 2.156 2.387 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.454 3.094 -1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.212 4.553 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.950 4.886 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.238 5.677 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.976 5.344 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.133 6.887 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.851 8.397 -0.932 1.00 0.00 H new ATOM 288 N SER A 21 0.125 3.105 -3.876 1.00 0.00 N ATOM 289 CA SER A 21 0.396 2.865 -5.283 1.00 0.00 C ATOM 290 C SER A 21 0.839 4.148 -5.982 1.00 0.00 C ATOM 291 O SER A 21 0.310 4.523 -7.031 1.00 0.00 O ATOM 292 CB SER A 21 -0.850 2.286 -5.950 1.00 0.00 C ATOM 293 OG SER A 21 -1.491 1.347 -5.095 1.00 0.00 O ATOM 0 H SER A 21 -0.839 3.367 -3.672 1.00 0.00 H new ATOM 0 HA SER A 21 1.212 2.147 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.542 3.091 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.575 1.802 -6.887 1.00 0.00 H new ATOM 0 HG SER A 21 -2.413 1.206 -5.396 1.00 0.00 H new ATOM 569 N SER A 42 8.263 -5.320 -8.575 1.00 0.00 N ATOM 570 CA SER A 42 7.250 -5.977 -7.767 1.00 0.00 C ATOM 571 C SER A 42 7.240 -5.416 -6.349 1.00 0.00 C ATOM 572 O SER A 42 8.146 -4.675 -5.952 1.00 0.00 O ATOM 573 CB SER A 42 7.516 -7.481 -7.736 1.00 0.00 C ATOM 574 OG SER A 42 8.732 -7.799 -8.397 1.00 0.00 O ATOM 0 HA SER A 42 6.273 -5.791 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.560 -7.824 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.690 -8.009 -8.213 1.00 0.00 H new ATOM 0 HG SER A 42 9.120 -6.984 -8.778 1.00 0.00 H new ATOM 580 N LEU A 43 6.215 -5.768 -5.591 1.00 0.00 N ATOM 581 CA LEU A 43 6.073 -5.283 -4.229 1.00 0.00 C ATOM 582 C LEU A 43 6.402 -6.381 -3.234 1.00 0.00 C ATOM 583 O LEU A 43 6.107 -7.549 -3.472 1.00 0.00 O ATOM 584 CB LEU A 43 4.642 -4.786 -3.982 1.00 0.00 C ATOM 585 CG LEU A 43 3.549 -5.543 -4.743 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.379 -5.859 -3.824 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.082 -4.740 -5.951 1.00 0.00 C ATOM 0 H LEU A 43 5.467 -6.390 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 43 6.770 -4.456 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.431 -4.851 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.588 -3.732 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 43 3.968 -6.484 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.613 -6.397 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.724 -6.476 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.960 -4.931 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.306 -5.294 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.682 -3.782 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.924 -4.568 -6.621 1.00 0.00 H new ATOM 599 N GLY A 44 7.044 -6.003 -2.143 1.00 0.00 N ATOM 600 CA GLY A 44 7.209 -6.907 -1.029 1.00 0.00 C ATOM 601 C GLY A 44 6.217 -6.566 0.054 1.00 0.00 C ATOM 602 O GLY A 44 5.448 -7.416 0.503 1.00 0.00 O ATOM 0 H GLY A 44 7.456 -5.080 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.063 -7.936 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.225 -6.838 -0.640 1.00 0.00 H new ATOM 606 N CYS A 45 6.233 -5.296 0.448 1.00 0.00 N ATOM 607 CA CYS A 45 5.248 -4.741 1.367 1.00 0.00 C ATOM 608 C CYS A 45 5.339 -5.362 2.758 1.00 0.00 C ATOM 609 O CYS A 45 6.220 -6.174 3.042 1.00 0.00 O ATOM 610 CB CYS A 45 3.842 -4.922 0.795 1.00 0.00 C ATOM 611 SG CYS A 45 3.394 -3.699 -0.480 1.00 0.00 S ATOM 0 H CYS A 45 6.932 -4.622 0.137 1.00 0.00 H new ATOM 0 HA CYS A 45 5.464 -3.678 1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.761 -5.922 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.120 -4.863 1.609 1.00 0.00 H new ATOM 616 N VAL A 46 4.430 -4.954 3.632 1.00 0.00 N ATOM 617 CA VAL A 46 4.362 -5.497 4.977 1.00 0.00 C ATOM 618 C VAL A 46 2.924 -5.849 5.316 1.00 0.00 C ATOM 619 O VAL A 46 1.991 -5.273 4.752 1.00 0.00 O ATOM 620 CB VAL A 46 4.901 -4.508 6.033 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.402 -4.675 6.205 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.561 -3.071 5.662 1.00 0.00 C ATOM 0 H VAL A 46 3.726 -4.244 3.430 1.00 0.00 H new ATOM 0 HA VAL A 46 4.989 -6.388 4.999 1.00 0.00 H new ATOM 0 HB VAL A 46 4.417 -4.734 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.763 -3.969 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.620 -5.692 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.901 -4.483 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.953 -2.396 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.008 -2.829 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.479 -2.958 5.599 1.00 0.00 H new ATOM 632 N VAL A 47 2.750 -6.795 6.223 1.00 0.00 N ATOM 633 CA VAL A 47 1.422 -7.224 6.626 1.00 0.00 C ATOM 634 C VAL A 47 0.775 -6.178 7.529 1.00 0.00 C ATOM 635 O VAL A 47 1.394 -5.681 8.471 1.00 0.00 O ATOM 636 CB VAL A 47 1.456 -8.587 7.353 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.057 -9.018 7.770 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.096 -9.644 6.470 1.00 0.00 C ATOM 0 H VAL A 47 3.513 -7.281 6.695 1.00 0.00 H new ATOM 0 HA VAL A 47 0.830 -7.338 5.718 1.00 0.00 H new ATOM 0 HB VAL A 47 2.058 -8.475 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.109 -9.980 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.367 -8.273 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.574 -9.109 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.112 -10.598 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.520 -9.747 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.116 -9.346 6.228 1.00 0.00 H new ATOM 648 N GLY A 48 -0.464 -5.841 7.217 1.00 0.00 N ATOM 649 CA GLY A 48 -1.186 -4.848 7.970 1.00 0.00 C ATOM 650 C GLY A 48 -1.822 -5.426 9.215 1.00 0.00 C ATOM 651 O GLY A 48 -2.419 -6.505 9.172 1.00 0.00 O ATOM 0 H GLY A 48 -0.988 -6.247 6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.507 -4.043 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.959 -4.408 7.340 1.00 0.00 H new ATOM 655 N VAL A 49 -1.678 -4.721 10.325 1.00 0.00 N ATOM 656 CA VAL A 49 -2.243 -5.163 11.592 1.00 0.00 C ATOM 657 C VAL A 49 -3.769 -5.080 11.564 1.00 0.00 C ATOM 658 O VAL A 49 -4.346 -4.053 11.188 1.00 0.00 O ATOM 659 CB VAL A 49 -1.678 -4.342 12.776 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.602 -2.863 12.429 1.00 0.00 C ATOM 661 CG2 VAL A 49 -2.498 -4.558 14.039 1.00 0.00 C ATOM 0 H VAL A 49 -1.173 -3.836 10.375 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.956 -6.204 11.737 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.666 -4.697 12.969 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.202 -2.310 13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.950 -2.725 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.600 -2.493 12.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.076 -3.968 14.852 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.528 -4.247 13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.479 -5.614 14.309 1.00 0.00 H new ATOM 671 N ILE A 50 -4.413 -6.174 11.948 1.00 0.00 N ATOM 672 CA ILE A 50 -5.863 -6.270 11.914 1.00 0.00 C ATOM 673 C ILE A 50 -6.497 -5.399 12.998 1.00 0.00 C ATOM 674 O ILE A 50 -6.036 -5.368 14.141 1.00 0.00 O ATOM 675 CB ILE A 50 -6.313 -7.747 12.067 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.374 -8.421 10.693 1.00 0.00 C ATOM 677 CG2 ILE A 50 -7.661 -7.863 12.770 1.00 0.00 C ATOM 678 CD1 ILE A 50 -5.112 -9.162 10.315 1.00 0.00 C ATOM 0 H ILE A 50 -3.947 -7.014 12.290 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.204 -5.902 10.946 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.575 -8.254 12.689 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.211 -9.119 10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.578 -7.663 9.937 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.937 -8.914 12.856 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.591 -7.424 13.765 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.419 -7.334 12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.235 -9.611 9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.274 -8.466 10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.916 -9.944 11.048 1.00 0.00 H new ATOM 690 N GLY A 51 -7.545 -4.677 12.618 1.00 0.00 N ATOM 691 CA GLY A 51 -8.258 -3.835 13.554 1.00 0.00 C ATOM 692 C GLY A 51 -7.715 -2.427 13.594 1.00 0.00 C ATOM 693 O GLY A 51 -8.232 -1.577 14.316 1.00 0.00 O ATOM 0 H GLY A 51 -7.915 -4.662 11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.313 -3.807 13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.198 -4.273 14.550 1.00 0.00 H new ATOM 697 N SER A 52 -6.681 -2.173 12.812 1.00 0.00 N ATOM 698 CA SER A 52 -6.030 -0.877 12.817 1.00 0.00 C ATOM 699 C SER A 52 -6.328 -0.096 11.540 1.00 0.00 C ATOM 700 O SER A 52 -6.899 -0.633 10.583 1.00 0.00 O ATOM 701 CB SER A 52 -4.531 -1.064 12.994 1.00 0.00 C ATOM 702 OG SER A 52 -4.262 -1.901 14.105 1.00 0.00 O ATOM 0 H SER A 52 -6.274 -2.849 12.165 1.00 0.00 H new ATOM 0 HA SER A 52 -6.423 -0.295 13.651 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.104 -1.500 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.052 -0.095 13.137 1.00 0.00 H new ATOM 0 HG SER A 52 -3.302 -1.885 14.302 1.00 0.00 H new ATOM 708 N GLN A 53 -5.935 1.172 11.540 1.00 0.00 N ATOM 709 CA GLN A 53 -6.194 2.062 10.418 1.00 0.00 C ATOM 710 C GLN A 53 -4.991 2.131 9.487 1.00 0.00 C ATOM 711 O GLN A 53 -3.841 2.059 9.926 1.00 0.00 O ATOM 712 CB GLN A 53 -6.527 3.469 10.921 1.00 0.00 C ATOM 713 CG GLN A 53 -7.843 3.560 11.678 1.00 0.00 C ATOM 714 CD GLN A 53 -7.678 3.337 13.170 1.00 0.00 C ATOM 715 OE1 GLN A 53 -6.562 3.317 13.691 1.00 0.00 O ATOM 716 NE2 GLN A 53 -8.788 3.167 13.867 1.00 0.00 N ATOM 0 H GLN A 53 -5.432 1.609 12.312 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.044 1.662 9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.722 3.812 11.571 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.561 4.149 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.288 4.541 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.538 2.821 11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.693 3.191 13.398 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.739 3.012 14.874 1.00 0.00 H new ATOM 725 N CYS A 54 -5.265 2.277 8.205 1.00 0.00 N ATOM 726 CA CYS A 54 -4.221 2.418 7.205 1.00 0.00 C ATOM 727 C CYS A 54 -4.527 3.594 6.291 1.00 0.00 C ATOM 728 O CYS A 54 -5.685 3.979 6.132 1.00 0.00 O ATOM 729 CB CYS A 54 -4.087 1.130 6.390 1.00 0.00 C ATOM 730 SG CYS A 54 -2.457 0.330 6.553 1.00 0.00 S ATOM 0 H CYS A 54 -6.212 2.301 7.827 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.274 2.606 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.860 0.429 6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.269 1.354 5.339 1.00 0.00 H new ATOM 735 N GLY A 55 -3.490 4.171 5.711 1.00 0.00 N ATOM 736 CA GLY A 55 -3.673 5.280 4.797 1.00 0.00 C ATOM 737 C GLY A 55 -3.061 4.995 3.445 1.00 0.00 C ATOM 738 O GLY A 55 -2.320 5.815 2.901 1.00 0.00 O ATOM 0 H GLY A 55 -2.520 3.892 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.737 5.483 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.222 6.178 5.219 1.00 0.00 H new ATOM 742 N ALA A 56 -3.363 3.821 2.908 1.00 0.00 N ATOM 743 CA ALA A 56 -2.804 3.387 1.638 1.00 0.00 C ATOM 744 C ALA A 56 -3.690 2.323 0.998 1.00 0.00 C ATOM 745 O ALA A 56 -4.792 2.057 1.477 1.00 0.00 O ATOM 746 CB ALA A 56 -1.395 2.855 1.841 1.00 0.00 C ATOM 0 H ALA A 56 -3.998 3.148 3.338 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.760 4.244 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.986 2.533 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.766 3.641 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.421 2.009 2.527 1.00 0.00 H new ATOM 752 N SER A 57 -3.206 1.717 -0.077 1.00 0.00 N ATOM 753 CA SER A 57 -3.947 0.677 -0.766 1.00 0.00 C ATOM 754 C SER A 57 -3.812 -0.649 -0.030 1.00 0.00 C ATOM 755 O SER A 57 -2.701 -1.094 0.272 1.00 0.00 O ATOM 756 CB SER A 57 -3.443 0.541 -2.202 1.00 0.00 C ATOM 757 OG SER A 57 -3.048 1.801 -2.719 1.00 0.00 O ATOM 0 H SER A 57 -2.298 1.931 -0.490 1.00 0.00 H new ATOM 0 HA SER A 57 -5.001 0.953 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.600 -0.150 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.227 0.115 -2.828 1.00 0.00 H new ATOM 0 HG SER A 57 -2.527 1.670 -3.539 1.00 0.00 H new ATOM 763 N VAL A 58 -4.942 -1.274 0.262 1.00 0.00 N ATOM 764 CA VAL A 58 -4.948 -2.534 0.987 1.00 0.00 C ATOM 765 C VAL A 58 -5.075 -3.706 0.030 1.00 0.00 C ATOM 766 O VAL A 58 -5.926 -3.707 -0.861 1.00 0.00 O ATOM 767 CB VAL A 58 -6.089 -2.605 2.026 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.609 -2.115 3.381 1.00 0.00 C ATOM 769 CG2 VAL A 58 -7.298 -1.806 1.567 1.00 0.00 C ATOM 0 H VAL A 58 -5.867 -0.928 0.008 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.997 -2.591 1.517 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.391 -3.648 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.427 -2.173 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.782 -2.739 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.273 -1.082 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.085 -1.874 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.014 -0.762 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.662 -2.208 0.622 1.00 0.00 H new ATOM 779 N LYS A 59 -4.206 -4.686 0.203 1.00 0.00 N ATOM 780 CA LYS A 59 -4.233 -5.887 -0.616 1.00 0.00 C ATOM 781 C LYS A 59 -4.384 -7.120 0.262 1.00 0.00 C ATOM 782 O LYS A 59 -3.989 -7.105 1.422 1.00 0.00 O ATOM 783 CB LYS A 59 -2.951 -5.999 -1.451 1.00 0.00 C ATOM 784 CG LYS A 59 -2.437 -4.669 -1.981 1.00 0.00 C ATOM 785 CD LYS A 59 -2.527 -4.604 -3.496 1.00 0.00 C ATOM 786 CE LYS A 59 -3.637 -3.665 -3.945 1.00 0.00 C ATOM 787 NZ LYS A 59 -3.525 -3.317 -5.385 1.00 0.00 N ATOM 0 H LYS A 59 -3.468 -4.674 0.907 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.087 -5.822 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.173 -6.461 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.136 -6.666 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.015 -3.854 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.402 -4.527 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.575 -4.266 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.709 -5.602 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.604 -4.132 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.604 -2.753 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.802 -2.324 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.542 -3.450 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.152 -3.933 -5.941 1.00 0.00 H new ATOM 801 N CYS A 60 -4.964 -8.175 -0.280 1.00 0.00 N ATOM 802 CA CYS A 60 -5.071 -9.434 0.442 1.00 0.00 C ATOM 803 C CYS A 60 -4.234 -10.497 -0.255 1.00 0.00 C ATOM 804 O CYS A 60 -4.587 -10.966 -1.339 1.00 0.00 O ATOM 805 CB CYS A 60 -6.535 -9.871 0.530 1.00 0.00 C ATOM 806 SG CYS A 60 -7.467 -9.064 1.875 1.00 0.00 S ATOM 0 H CYS A 60 -5.368 -8.188 -1.216 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.694 -9.300 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.026 -9.656 -0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.574 -10.951 0.671 1.00 0.00 H new ATOM 811 N CYS A 61 -3.115 -10.870 0.355 1.00 0.00 N ATOM 812 CA CYS A 61 -2.148 -11.713 -0.326 1.00 0.00 C ATOM 813 C CYS A 61 -1.755 -12.946 0.473 1.00 0.00 C ATOM 814 O CYS A 61 -1.870 -12.993 1.698 1.00 0.00 O ATOM 815 CB CYS A 61 -0.884 -10.919 -0.631 1.00 0.00 C ATOM 816 SG CYS A 61 -1.155 -9.138 -0.929 1.00 0.00 S ATOM 0 H CYS A 61 -2.860 -10.605 1.306 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.635 -12.048 -1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.190 -11.033 0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.403 -11.351 -1.508 1.00 0.00 H new ATOM 821 N LYS A 62 -1.302 -13.940 -0.274 1.00 0.00 N ATOM 822 CA LYS A 62 -0.650 -15.121 0.252 1.00 0.00 C ATOM 823 C LYS A 62 0.408 -15.539 -0.766 1.00 0.00 C ATOM 824 O LYS A 62 0.268 -15.251 -1.962 1.00 0.00 O ATOM 825 CB LYS A 62 -1.675 -16.245 0.492 1.00 0.00 C ATOM 826 CG LYS A 62 -1.105 -17.654 0.427 1.00 0.00 C ATOM 827 CD LYS A 62 -2.031 -18.592 -0.333 1.00 0.00 C ATOM 828 CE LYS A 62 -1.786 -20.047 0.038 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.672 -20.497 1.145 1.00 0.00 N ATOM 0 H LYS A 62 -1.382 -13.944 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.184 -14.914 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.132 -16.098 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.471 -16.156 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.129 -17.631 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.950 -18.033 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.068 -18.332 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.883 -18.460 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.950 -20.677 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.744 -20.176 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.404 -21.459 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.572 -19.851 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.660 -20.496 0.821 1.00 0.00 H new ATOM 843 N ASP A 63 1.479 -16.162 -0.313 1.00 0.00 N ATOM 844 CA ASP A 63 2.531 -16.585 -1.224 1.00 0.00 C ATOM 845 C ASP A 63 3.366 -17.694 -0.618 1.00 0.00 C ATOM 846 O ASP A 63 2.987 -18.302 0.384 1.00 0.00 O ATOM 847 CB ASP A 63 3.430 -15.402 -1.588 1.00 0.00 C ATOM 848 CG ASP A 63 3.157 -14.878 -2.982 1.00 0.00 C ATOM 849 OD1 ASP A 63 2.716 -15.666 -3.844 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.381 -13.678 -3.218 1.00 0.00 O ATOM 0 H ASP A 63 1.645 -16.386 0.668 1.00 0.00 H new ATOM 0 HA ASP A 63 2.055 -16.965 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.281 -14.600 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.474 -15.706 -1.515 1.00 0.00 H new ATOM 855 N ASP A 64 4.513 -17.940 -1.228 1.00 0.00 N ATOM 856 CA ASP A 64 5.445 -18.952 -0.759 1.00 0.00 C ATOM 857 C ASP A 64 6.407 -18.349 0.260 1.00 0.00 C ATOM 858 O ASP A 64 7.338 -19.007 0.724 1.00 0.00 O ATOM 859 CB ASP A 64 6.228 -19.537 -1.939 1.00 0.00 C ATOM 860 CG ASP A 64 6.983 -18.480 -2.723 1.00 0.00 C ATOM 861 OD1 ASP A 64 6.335 -17.571 -3.288 1.00 0.00 O ATOM 862 OD2 ASP A 64 8.229 -18.561 -2.784 1.00 0.00 O ATOM 0 H ASP A 64 4.825 -17.444 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 64 4.881 -19.752 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.933 -20.281 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.539 -20.055 -2.606 1.00 0.00 H new ATOM 867 N VAL A 65 6.172 -17.087 0.595 1.00 0.00 N ATOM 868 CA VAL A 65 6.978 -16.392 1.585 1.00 0.00 C ATOM 869 C VAL A 65 6.597 -16.834 2.989 1.00 0.00 C ATOM 870 O VAL A 65 5.533 -16.475 3.500 1.00 0.00 O ATOM 871 CB VAL A 65 6.809 -14.862 1.493 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.058 -14.146 1.989 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.469 -14.432 0.072 1.00 0.00 C ATOM 0 H VAL A 65 5.424 -16.522 0.192 1.00 0.00 H new ATOM 0 HA VAL A 65 8.018 -16.646 1.377 1.00 0.00 H new ATOM 0 HB VAL A 65 5.977 -14.580 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.914 -13.068 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.243 -14.416 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.912 -14.441 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.356 -13.348 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.271 -14.735 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.537 -14.905 -0.238 1.00 0.00 H new ATOM 883 N THR A 66 7.456 -17.631 3.591 1.00 0.00 N ATOM 884 CA THR A 66 7.260 -18.073 4.957 1.00 0.00 C ATOM 885 C THR A 66 8.133 -17.259 5.906 1.00 0.00 C ATOM 886 O THR A 66 8.020 -16.033 5.973 1.00 0.00 O ATOM 887 CB THR A 66 7.583 -19.573 5.103 1.00 0.00 C ATOM 888 OG1 THR A 66 8.144 -20.069 3.881 1.00 0.00 O ATOM 889 CG2 THR A 66 6.329 -20.356 5.456 1.00 0.00 C ATOM 0 H THR A 66 8.304 -17.989 3.151 1.00 0.00 H new ATOM 0 HA THR A 66 6.212 -17.920 5.215 1.00 0.00 H new ATOM 0 HB THR A 66 8.307 -19.699 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.349 -21.022 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.576 -21.413 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.924 -19.988 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.587 -20.229 4.668 1.00 0.00 H new ATOM 897 N ASN A 67 9.006 -17.934 6.629 1.00 0.00 N ATOM 898 CA ASN A 67 9.923 -17.257 7.528 1.00 0.00 C ATOM 899 C ASN A 67 11.286 -17.112 6.871 1.00 0.00 C ATOM 900 O ASN A 67 12.195 -17.912 7.102 1.00 0.00 O ATOM 901 CB ASN A 67 10.051 -18.013 8.849 1.00 0.00 C ATOM 902 CG ASN A 67 10.394 -17.096 10.007 1.00 0.00 C ATOM 903 OD1 ASN A 67 10.486 -15.878 9.847 1.00 0.00 O ATOM 904 ND2 ASN A 67 10.584 -17.676 11.179 1.00 0.00 N ATOM 0 H ASN A 67 9.100 -18.950 6.612 1.00 0.00 H new ATOM 0 HA ASN A 67 9.524 -16.266 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.115 -18.529 9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.822 -18.778 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.817 -17.111 11.996 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.498 -18.689 11.267 1.00 0.00 H new ATOM 911 N THR A 68 11.406 -16.102 6.032 1.00 0.00 N ATOM 912 CA THR A 68 12.640 -15.832 5.322 1.00 0.00 C ATOM 913 C THR A 68 13.577 -14.969 6.165 1.00 0.00 C ATOM 914 O THR A 68 13.126 -14.180 7.001 1.00 0.00 O ATOM 915 CB THR A 68 12.340 -15.113 3.993 1.00 0.00 C ATOM 916 OG1 THR A 68 10.974 -15.345 3.618 1.00 0.00 O ATOM 917 CG2 THR A 68 13.259 -15.600 2.885 1.00 0.00 C ATOM 0 H THR A 68 10.652 -15.447 5.824 1.00 0.00 H new ATOM 0 HA THR A 68 13.128 -16.785 5.120 1.00 0.00 H new ATOM 0 HB THR A 68 12.511 -14.046 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.784 -14.886 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 68 13.023 -15.075 1.960 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.296 -15.404 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.118 -16.671 2.740 1.00 0.00 H new ATOM 925 N GLY A 69 14.880 -15.128 5.949 1.00 0.00 N ATOM 926 CA GLY A 69 15.858 -14.325 6.654 1.00 0.00 C ATOM 927 C GLY A 69 16.087 -12.997 5.969 1.00 0.00 C ATOM 928 O GLY A 69 17.143 -12.759 5.380 1.00 0.00 O ATOM 0 H GLY A 69 15.275 -15.803 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.520 -14.154 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.800 -14.870 6.716 1.00 0.00 H new ATOM 932 N ASN A 70 15.084 -12.140 6.031 1.00 0.00 N ATOM 933 CA ASN A 70 15.144 -10.835 5.397 1.00 0.00 C ATOM 934 C ASN A 70 14.552 -9.785 6.327 1.00 0.00 C ATOM 935 O ASN A 70 13.883 -10.126 7.304 1.00 0.00 O ATOM 936 CB ASN A 70 14.382 -10.861 4.066 1.00 0.00 C ATOM 937 CG ASN A 70 14.742 -9.699 3.162 1.00 0.00 C ATOM 938 OD1 ASN A 70 14.133 -8.630 3.231 1.00 0.00 O ATOM 939 ND2 ASN A 70 15.731 -9.898 2.305 1.00 0.00 N ATOM 0 H ASN A 70 14.209 -12.327 6.520 1.00 0.00 H new ATOM 0 HA ASN A 70 16.185 -10.581 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.594 -11.797 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.311 -10.842 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.014 -9.151 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 70 16.210 -10.798 2.279 1.00 0.00 H new ATOM 946 N SER A 71 14.798 -8.517 6.024 1.00 0.00 N ATOM 947 CA SER A 71 14.295 -7.418 6.834 1.00 0.00 C ATOM 948 C SER A 71 12.769 -7.378 6.823 1.00 0.00 C ATOM 949 O SER A 71 12.143 -6.959 7.796 1.00 0.00 O ATOM 950 CB SER A 71 14.860 -6.100 6.312 1.00 0.00 C ATOM 951 OG SER A 71 16.042 -6.330 5.560 1.00 0.00 O ATOM 0 H SER A 71 15.347 -8.224 5.216 1.00 0.00 H new ATOM 0 HA SER A 71 14.617 -7.571 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.118 -5.600 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.077 -5.434 7.147 1.00 0.00 H new ATOM 0 HG SER A 71 16.392 -5.476 5.231 1.00 0.00 H new ATOM 957 N PHE A 72 12.180 -7.818 5.718 1.00 0.00 N ATOM 958 CA PHE A 72 10.733 -7.871 5.590 1.00 0.00 C ATOM 959 C PHE A 72 10.330 -9.074 4.741 1.00 0.00 C ATOM 960 O PHE A 72 11.169 -9.904 4.394 1.00 0.00 O ATOM 961 CB PHE A 72 10.195 -6.559 4.996 1.00 0.00 C ATOM 962 CG PHE A 72 10.431 -6.388 3.519 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.708 -6.188 3.015 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.366 -6.421 2.636 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.913 -6.027 1.658 1.00 0.00 C ATOM 966 CE2 PHE A 72 9.566 -6.261 1.281 1.00 0.00 C ATOM 967 CZ PHE A 72 10.839 -6.065 0.790 1.00 0.00 C ATOM 0 H PHE A 72 12.687 -8.144 4.895 1.00 0.00 H new ATOM 0 HA PHE A 72 10.291 -7.989 6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.123 -6.503 5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.656 -5.723 5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.550 -6.158 3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.366 -6.574 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.911 -5.872 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.725 -6.289 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.996 -5.941 -0.271 1.00 0.00 H new ATOM 977 N LEU A 73 9.049 -9.172 4.418 1.00 0.00 N ATOM 978 CA LEU A 73 8.543 -10.297 3.647 1.00 0.00 C ATOM 979 C LEU A 73 8.323 -9.902 2.192 1.00 0.00 C ATOM 980 O LEU A 73 7.328 -9.266 1.858 1.00 0.00 O ATOM 981 CB LEU A 73 7.232 -10.810 4.254 1.00 0.00 C ATOM 982 CG LEU A 73 6.489 -9.809 5.143 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.317 -9.194 4.393 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.009 -10.485 6.419 1.00 0.00 C ATOM 0 H LEU A 73 8.341 -8.486 4.678 1.00 0.00 H new ATOM 0 HA LEU A 73 9.287 -11.093 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.569 -11.113 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.447 -11.703 4.841 1.00 0.00 H new ATOM 0 HG LEU A 73 7.180 -9.011 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.802 -8.485 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.684 -8.675 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.625 -9.980 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.483 -9.759 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.334 -11.303 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.865 -10.878 6.967 1.00 0.00 H new ATOM 996 N ILE A 74 9.263 -10.264 1.331 1.00 0.00 N ATOM 997 CA ILE A 74 9.131 -9.983 -0.090 1.00 0.00 C ATOM 998 C ILE A 74 8.237 -11.028 -0.744 1.00 0.00 C ATOM 999 O ILE A 74 8.580 -12.209 -0.782 1.00 0.00 O ATOM 1000 CB ILE A 74 10.495 -9.968 -0.810 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.593 -9.479 0.134 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.430 -9.090 -2.051 1.00 0.00 C ATOM 1003 CD1 ILE A 74 12.897 -10.228 -0.014 1.00 0.00 C ATOM 0 H ILE A 74 10.121 -10.751 1.590 1.00 0.00 H new ATOM 0 HA ILE A 74 8.688 -8.991 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 74 10.734 -10.986 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.770 -8.419 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.245 -9.573 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.400 -9.090 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.673 -9.479 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.170 -8.071 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.629 -9.827 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.735 -11.285 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.269 -10.113 -1.032 1.00 0.00 H new ATOM 1015 N ILE A 75 7.096 -10.588 -1.254 1.00 0.00 N ATOM 1016 CA ILE A 75 6.125 -11.493 -1.848 1.00 0.00 C ATOM 1017 C ILE A 75 6.347 -11.630 -3.345 1.00 0.00 C ATOM 1018 O ILE A 75 6.911 -10.743 -3.991 1.00 0.00 O ATOM 1019 CB ILE A 75 4.669 -11.036 -1.598 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.529 -9.526 -1.781 1.00 0.00 C ATOM 1021 CG2 ILE A 75 4.213 -11.439 -0.209 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.105 -9.070 -2.006 1.00 0.00 C ATOM 0 H ILE A 75 6.820 -9.606 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 75 6.274 -12.458 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 75 4.033 -11.531 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.927 -9.024 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.139 -9.214 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.186 -11.108 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.264 -12.523 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.861 -10.976 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.085 -7.987 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.709 -9.543 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.493 -9.351 -1.149 1.00 0.00 H new ATOM 1034 N ASN A 76 5.911 -12.756 -3.884 1.00 0.00 N ATOM 1035 CA ASN A 76 5.993 -13.009 -5.313 1.00 0.00 C ATOM 1036 C ASN A 76 4.834 -12.315 -6.011 1.00 0.00 C ATOM 1037 O ASN A 76 4.828 -12.162 -7.232 1.00 0.00 O ATOM 1038 CB ASN A 76 5.938 -14.514 -5.594 1.00 0.00 C ATOM 1039 CG ASN A 76 7.292 -15.094 -5.944 1.00 0.00 C ATOM 1040 OD1 ASN A 76 7.917 -14.701 -6.930 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.745 -16.050 -5.152 1.00 0.00 N ATOM 0 H ASN A 76 5.493 -13.516 -3.348 1.00 0.00 H new ATOM 0 HA ASN A 76 6.939 -12.620 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.543 -15.029 -4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.244 -14.701 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.644 -16.491 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.196 -16.347 -4.345 1.00 0.00 H new ATOM 1048 N ALA A 77 3.850 -11.913 -5.202 1.00 0.00 N ATOM 1049 CA ALA A 77 2.651 -11.238 -5.677 1.00 0.00 C ATOM 1050 C ALA A 77 1.812 -12.187 -6.515 1.00 0.00 C ATOM 1051 O ALA A 77 1.163 -11.784 -7.479 1.00 0.00 O ATOM 1052 CB ALA A 77 2.996 -9.971 -6.452 1.00 0.00 C ATOM 0 H ALA A 77 3.868 -12.051 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 77 2.064 -10.934 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.078 -9.491 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.545 -9.287 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.612 -10.228 -7.314 1.00 0.00 H new ATOM 1058 N ALA A 78 1.827 -13.458 -6.134 1.00 0.00 N ATOM 1059 CA ALA A 78 1.083 -14.469 -6.857 1.00 0.00 C ATOM 1060 C ALA A 78 -0.335 -14.587 -6.323 1.00 0.00 C ATOM 1061 O ALA A 78 -1.297 -14.296 -7.034 1.00 0.00 O ATOM 1062 CB ALA A 78 1.796 -15.811 -6.793 1.00 0.00 C ATOM 0 H ALA A 78 2.347 -13.808 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 78 1.025 -14.162 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.220 -16.556 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.787 -15.718 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.893 -16.122 -5.753 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.476 -14.975 -5.056 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.794 -15.190 -4.482 1.00 0.00 C ATOM 1070 C ASN A 79 -2.256 -13.941 -3.747 1.00 0.00 C ATOM 1071 O ASN A 79 -2.653 -13.998 -2.591 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.787 -16.391 -3.526 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.153 -17.629 -4.130 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.843 -18.476 -4.697 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.163 -17.754 -3.997 1.00 0.00 N ATOM 0 H ASN A 79 0.301 -15.144 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.488 -15.403 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.249 -16.121 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.812 -16.621 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.638 -18.575 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.699 -17.029 -3.520 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.185 -12.806 -4.414 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.642 -11.563 -3.823 1.00 0.00 C ATOM 1084 C CYS A 80 -3.692 -10.918 -4.714 1.00 0.00 C ATOM 1085 O CYS A 80 -3.484 -10.763 -5.918 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.465 -10.607 -3.602 1.00 0.00 C ATOM 1087 SG CYS A 80 -1.925 -9.027 -2.811 1.00 0.00 S ATOM 0 H CYS A 80 -1.817 -12.718 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.090 -11.781 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.717 -11.105 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.996 -10.397 -4.563 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.811 -10.545 -4.120 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.913 -9.955 -4.865 1.00 0.00 C ATOM 1094 C VAL A 81 -6.379 -8.668 -4.205 1.00 0.00 C ATOM 1095 O VAL A 81 -6.704 -8.659 -3.015 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.109 -10.923 -4.988 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.944 -11.814 -6.208 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -7.269 -11.761 -3.727 1.00 0.00 C ATOM 0 H VAL A 81 -4.983 -10.640 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.539 -9.741 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.015 -10.330 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.795 -12.491 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.893 -11.197 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.026 -12.394 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.119 -12.433 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.364 -12.345 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.439 -11.105 -2.873 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.366 -7.589 -4.987 1.00 0.00 N ATOM 1109 CA ALA A 82 -6.860 -6.281 -4.564 1.00 0.00 C ATOM 1110 C ALA A 82 -6.506 -5.245 -5.618 1.00 0.00 C ATOM 1111 O ALA A 82 -5.628 -5.539 -6.457 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.278 -5.862 -3.225 1.00 0.00 C ATOM 1113 OXT ALA A 82 -7.083 -4.139 -5.587 1.00 0.00 O ATOM 0 H ALA A 82 -6.008 -7.600 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.942 -6.351 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.671 -4.884 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.553 -6.593 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.192 -5.808 -3.301 1.00 0.00 H new