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 -28:sc= 0.991 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -178:sc= 1.22 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.143 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00833 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -73:sc= 1.08 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.11) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.62) USER MOD Single : A 42 SER OG : rot -13:sc= 0.836 USER MOD Single : A 52 SER OG : rot 81:sc= 1.23 USER MOD Single : A 53 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.8!) USER MOD Single : A 57 SER OG : rot -150:sc= 0.747 USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= 0.615 (180deg=-2.83!) USER MOD Single : A 66 THR OG1 : rot 32:sc= 0.142 USER MOD Single : A 67 ASN : amide:sc= 1.6 K(o=1.6,f=-9.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.158 USER MOD Single : A 76 ASN : amide:sc= 1.01 K(o=1,f=-0.018) USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.147 7.528 8.313 1.00 0.00 N ATOM 2 CA ALA A 1 -7.489 6.579 7.383 1.00 0.00 C ATOM 3 C ALA A 1 -8.292 5.287 7.296 1.00 0.00 C ATOM 4 O ALA A 1 -9.281 5.115 8.011 1.00 0.00 O ATOM 5 CB ALA A 1 -6.066 6.290 7.838 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.364 8.413 7.811 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.029 7.108 8.671 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.511 7.730 9.111 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.448 7.032 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.597 5.592 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.495 7.218 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.085 5.852 8.836 1.00 0.00 H new ATOM 13 N THR A 2 -7.871 4.384 6.421 1.00 0.00 N ATOM 14 CA THR A 2 -8.545 3.110 6.255 1.00 0.00 C ATOM 15 C THR A 2 -8.063 2.102 7.294 1.00 0.00 C ATOM 16 O THR A 2 -6.910 1.669 7.270 1.00 0.00 O ATOM 17 CB THR A 2 -8.316 2.540 4.843 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.202 3.607 3.891 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.453 1.617 4.440 1.00 0.00 C ATOM 0 H THR A 2 -7.062 4.514 5.814 1.00 0.00 H new ATOM 0 HA THR A 2 -9.612 3.285 6.395 1.00 0.00 H new ATOM 0 HB THR A 2 -7.389 1.966 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.055 3.233 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.268 1.227 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.517 0.789 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.391 2.172 4.446 1.00 0.00 H new ATOM 27 N THR A 3 -8.941 1.751 8.216 1.00 0.00 N ATOM 28 CA THR A 3 -8.618 0.770 9.232 1.00 0.00 C ATOM 29 C THR A 3 -8.741 -0.642 8.671 1.00 0.00 C ATOM 30 O THR A 3 -9.731 -0.980 8.012 1.00 0.00 O ATOM 31 CB THR A 3 -9.536 0.915 10.459 1.00 0.00 C ATOM 32 OG1 THR A 3 -9.985 2.275 10.572 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.811 0.507 11.730 1.00 0.00 C ATOM 0 H THR A 3 -9.885 2.132 8.281 1.00 0.00 H new ATOM 0 HA THR A 3 -7.589 0.947 9.543 1.00 0.00 H new ATOM 0 HB THR A 3 -10.394 0.257 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.570 2.362 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.481 0.618 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.495 -0.533 11.651 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.937 1.143 11.870 1.00 0.00 H new ATOM 41 N ILE A 4 -7.724 -1.453 8.910 1.00 0.00 N ATOM 42 CA ILE A 4 -7.739 -2.835 8.478 1.00 0.00 C ATOM 43 C ILE A 4 -8.494 -3.680 9.493 1.00 0.00 C ATOM 44 O ILE A 4 -7.988 -3.969 10.580 1.00 0.00 O ATOM 45 CB ILE A 4 -6.310 -3.394 8.299 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.525 -2.534 7.305 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.355 -4.841 7.827 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.041 -2.456 7.602 1.00 0.00 C ATOM 0 H ILE A 4 -6.876 -1.174 9.403 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.239 -2.877 7.510 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.804 -3.363 9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.665 -2.936 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.939 -1.526 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.339 -5.216 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.881 -5.448 8.564 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.877 -4.896 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.553 -1.830 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.890 -2.025 8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.611 -3.457 7.573 1.00 0.00 H new ATOM 60 N GLY A 5 -9.717 -4.038 9.144 1.00 0.00 N ATOM 61 CA GLY A 5 -10.531 -4.835 10.028 1.00 0.00 C ATOM 62 C GLY A 5 -10.581 -6.281 9.595 1.00 0.00 C ATOM 63 O GLY A 5 -9.885 -6.675 8.657 1.00 0.00 O ATOM 0 H GLY A 5 -10.161 -3.789 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.135 -4.773 11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.542 -4.429 10.056 1.00 0.00 H new ATOM 67 N PRO A 6 -11.411 -7.101 10.255 1.00 0.00 N ATOM 68 CA PRO A 6 -11.532 -8.526 9.940 1.00 0.00 C ATOM 69 C PRO A 6 -12.292 -8.761 8.640 1.00 0.00 C ATOM 70 O PRO A 6 -12.271 -9.853 8.077 1.00 0.00 O ATOM 71 CB PRO A 6 -12.317 -9.078 11.126 1.00 0.00 C ATOM 72 CG PRO A 6 -13.137 -7.930 11.593 1.00 0.00 C ATOM 73 CD PRO A 6 -12.297 -6.705 11.367 1.00 0.00 C ATOM 0 HA PRO A 6 -10.562 -9.002 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.943 -9.920 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.651 -9.436 11.911 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.074 -7.869 11.040 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.395 -8.038 12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.908 -5.841 11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.729 -6.437 12.258 1.00 0.00 H new ATOM 81 N ASN A 7 -12.950 -7.717 8.160 1.00 0.00 N ATOM 82 CA ASN A 7 -13.728 -7.798 6.933 1.00 0.00 C ATOM 83 C ASN A 7 -12.859 -7.446 5.734 1.00 0.00 C ATOM 84 O ASN A 7 -13.262 -6.680 4.860 1.00 0.00 O ATOM 85 CB ASN A 7 -14.929 -6.854 6.999 1.00 0.00 C ATOM 86 CG ASN A 7 -16.240 -7.602 7.124 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.720 -8.203 6.160 1.00 0.00 O ATOM 88 ND2 ASN A 7 -16.823 -7.569 8.309 1.00 0.00 N ATOM 0 H ASN A 7 -12.961 -6.799 8.604 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.090 -8.820 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.814 -6.182 7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.951 -6.234 6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.708 -8.054 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.388 -7.058 9.077 1.00 0.00 H new ATOM 95 N THR A 8 -11.660 -8.006 5.706 1.00 0.00 N ATOM 96 CA THR A 8 -10.713 -7.723 4.644 1.00 0.00 C ATOM 97 C THR A 8 -10.965 -8.615 3.432 1.00 0.00 C ATOM 98 O THR A 8 -11.284 -8.125 2.348 1.00 0.00 O ATOM 99 CB THR A 8 -9.273 -7.912 5.143 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.292 -8.337 6.514 1.00 0.00 O ATOM 101 CG2 THR A 8 -8.489 -6.613 5.017 1.00 0.00 C ATOM 0 H THR A 8 -11.321 -8.661 6.410 1.00 0.00 H new ATOM 0 HA THR A 8 -10.851 -6.685 4.342 1.00 0.00 H new ATOM 0 HB THR A 8 -8.786 -8.672 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.541 -7.582 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.471 -6.766 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.463 -6.303 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.971 -5.838 5.613 1.00 0.00 H new ATOM 109 N CYS A 9 -10.835 -9.921 3.618 1.00 0.00 N ATOM 110 CA CYS A 9 -11.070 -10.870 2.541 1.00 0.00 C ATOM 111 C CYS A 9 -11.324 -12.264 3.099 1.00 0.00 C ATOM 112 O CYS A 9 -11.065 -12.527 4.274 1.00 0.00 O ATOM 113 CB CYS A 9 -9.875 -10.902 1.584 1.00 0.00 C ATOM 114 SG CYS A 9 -8.264 -11.125 2.408 1.00 0.00 S ATOM 0 H CYS A 9 -10.568 -10.347 4.505 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.954 -10.546 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.019 -11.711 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.854 -9.972 1.015 1.00 0.00 H new ATOM 119 N SER A 10 -11.860 -13.139 2.262 1.00 0.00 N ATOM 120 CA SER A 10 -12.070 -14.530 2.639 1.00 0.00 C ATOM 121 C SER A 10 -11.306 -15.458 1.690 1.00 0.00 C ATOM 122 O SER A 10 -10.078 -15.424 1.658 1.00 0.00 O ATOM 123 CB SER A 10 -13.568 -14.840 2.645 1.00 0.00 C ATOM 124 OG SER A 10 -14.313 -13.670 2.941 1.00 0.00 O ATOM 0 H SER A 10 -12.159 -12.910 1.314 1.00 0.00 H new ATOM 0 HA SER A 10 -11.684 -14.698 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.868 -15.234 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.783 -15.613 3.383 1.00 0.00 H new ATOM 0 HG SER A 10 -15.270 -13.882 2.940 1.00 0.00 H new ATOM 130 N ILE A 11 -12.034 -16.247 0.892 1.00 0.00 N ATOM 131 CA ILE A 11 -11.436 -17.213 -0.036 1.00 0.00 C ATOM 132 C ILE A 11 -10.454 -18.146 0.679 1.00 0.00 C ATOM 133 O ILE A 11 -10.849 -18.981 1.495 1.00 0.00 O ATOM 134 CB ILE A 11 -10.711 -16.525 -1.226 1.00 0.00 C ATOM 135 CG1 ILE A 11 -11.243 -15.106 -1.465 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.857 -17.367 -2.486 1.00 0.00 C ATOM 137 CD1 ILE A 11 -10.453 -14.327 -2.497 1.00 0.00 C ATOM 0 H ILE A 11 -13.054 -16.234 0.871 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.267 -17.797 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.654 -16.443 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.283 -15.166 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.231 -14.559 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.345 -16.875 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.417 -18.350 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.914 -17.479 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.887 -13.334 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.418 -14.235 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.486 -14.851 -3.452 1.00 0.00 H new ATOM 149 N ASP A 12 -9.179 -17.978 0.373 1.00 0.00 N ATOM 150 CA ASP A 12 -8.118 -18.802 0.935 1.00 0.00 C ATOM 151 C ASP A 12 -7.497 -18.061 2.123 1.00 0.00 C ATOM 152 O ASP A 12 -7.924 -16.951 2.439 1.00 0.00 O ATOM 153 CB ASP A 12 -7.094 -19.094 -0.183 1.00 0.00 C ATOM 154 CG ASP A 12 -5.687 -19.407 0.300 1.00 0.00 C ATOM 155 OD1 ASP A 12 -5.500 -20.424 1.003 1.00 0.00 O ATOM 156 OD2 ASP A 12 -4.759 -18.630 -0.009 1.00 0.00 O ATOM 0 H ASP A 12 -8.847 -17.264 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.495 -19.755 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.455 -19.936 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.050 -18.232 -0.849 1.00 0.00 H new ATOM 161 N ASP A 13 -6.536 -18.674 2.806 1.00 0.00 N ATOM 162 CA ASP A 13 -5.823 -18.010 3.895 1.00 0.00 C ATOM 163 C ASP A 13 -4.972 -16.865 3.336 1.00 0.00 C ATOM 164 O ASP A 13 -3.753 -16.984 3.163 1.00 0.00 O ATOM 165 CB ASP A 13 -4.952 -19.015 4.660 1.00 0.00 C ATOM 166 CG ASP A 13 -4.034 -18.350 5.668 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.513 -17.515 6.463 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.816 -18.655 5.655 1.00 0.00 O ATOM 0 H ASP A 13 -6.232 -19.631 2.626 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.549 -17.596 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.596 -19.727 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.352 -19.584 3.949 1.00 0.00 H new ATOM 173 N TYR A 14 -5.642 -15.770 3.026 1.00 0.00 N ATOM 174 CA TYR A 14 -5.001 -14.596 2.476 1.00 0.00 C ATOM 175 C TYR A 14 -4.729 -13.595 3.580 1.00 0.00 C ATOM 176 O TYR A 14 -5.546 -13.420 4.485 1.00 0.00 O ATOM 177 CB TYR A 14 -5.889 -13.962 1.404 1.00 0.00 C ATOM 178 CG TYR A 14 -5.624 -14.489 0.016 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.482 -14.120 -0.676 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.509 -15.370 -0.596 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.226 -14.610 -1.939 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.261 -15.861 -1.863 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.117 -15.482 -2.529 1.00 0.00 C ATOM 184 OH TYR A 14 -4.862 -15.982 -3.789 1.00 0.00 O ATOM 0 H TYR A 14 -6.650 -15.673 3.150 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.056 -14.891 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.934 -14.139 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.738 -12.883 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.781 -13.437 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.403 -15.675 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.331 -14.312 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.961 -16.539 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.589 -16.583 -4.056 1.00 0.00 H new ATOM 194 N LYS A 15 -3.583 -12.945 3.512 1.00 0.00 N ATOM 195 CA LYS A 15 -3.228 -11.940 4.497 1.00 0.00 C ATOM 196 C LYS A 15 -3.372 -10.557 3.885 1.00 0.00 C ATOM 197 O LYS A 15 -2.974 -10.336 2.743 1.00 0.00 O ATOM 198 CB LYS A 15 -1.798 -12.152 5.014 1.00 0.00 C ATOM 199 CG LYS A 15 -0.962 -13.091 4.163 1.00 0.00 C ATOM 200 CD LYS A 15 -0.303 -14.167 5.005 1.00 0.00 C ATOM 201 CE LYS A 15 -0.751 -15.555 4.578 1.00 0.00 C ATOM 202 NZ LYS A 15 -1.582 -16.214 5.619 1.00 0.00 N ATOM 0 H LYS A 15 -2.882 -13.094 2.786 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.904 -12.031 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.296 -11.186 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.845 -12.545 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.593 -13.556 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.197 -12.521 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.781 -14.089 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.548 -14.011 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.320 -15.484 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.124 -16.170 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.839 -17.171 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.043 -16.275 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.447 -15.658 5.777 1.00 0.00 H new ATOM 216 N PRO A 16 -3.980 -9.620 4.616 1.00 0.00 N ATOM 217 CA PRO A 16 -4.110 -8.242 4.159 1.00 0.00 C ATOM 218 C PRO A 16 -2.765 -7.532 4.168 1.00 0.00 C ATOM 219 O PRO A 16 -2.012 -7.625 5.133 1.00 0.00 O ATOM 220 CB PRO A 16 -5.063 -7.609 5.174 1.00 0.00 C ATOM 221 CG PRO A 16 -4.929 -8.443 6.402 1.00 0.00 C ATOM 222 CD PRO A 16 -4.587 -9.832 5.939 1.00 0.00 C ATOM 0 HA PRO A 16 -4.475 -8.175 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.796 -6.571 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.089 -7.610 4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.151 -8.049 7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.856 -8.442 6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.895 -10.323 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.474 -10.463 5.876 1.00 0.00 H new ATOM 230 N TYR A 17 -2.451 -6.855 3.083 1.00 0.00 N ATOM 231 CA TYR A 17 -1.194 -6.141 2.969 1.00 0.00 C ATOM 232 C TYR A 17 -1.451 -4.657 2.770 1.00 0.00 C ATOM 233 O TYR A 17 -2.251 -4.267 1.916 1.00 0.00 O ATOM 234 CB TYR A 17 -0.371 -6.673 1.792 1.00 0.00 C ATOM 235 CG TYR A 17 0.406 -7.937 2.092 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.230 -9.070 2.576 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.773 -8.000 1.878 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.471 -10.228 2.838 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.487 -9.153 2.139 1.00 0.00 C ATOM 240 CZ TYR A 17 1.832 -10.266 2.619 1.00 0.00 C ATOM 241 OH TYR A 17 2.538 -11.420 2.873 1.00 0.00 O ATOM 0 H TYR A 17 -3.052 -6.783 2.262 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.634 -6.295 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.040 -6.863 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.327 -5.899 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.295 -9.045 2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.290 -7.131 1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.043 -11.101 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.553 -9.182 1.968 1.00 0.00 H new ATOM 0 HH TYR A 17 3.485 -11.277 2.664 1.00 0.00 H new ATOM 251 N CYS A 18 -0.778 -3.835 3.554 1.00 0.00 N ATOM 252 CA CYS A 18 -0.872 -2.398 3.391 1.00 0.00 C ATOM 253 C CYS A 18 0.221 -1.935 2.437 1.00 0.00 C ATOM 254 O CYS A 18 1.410 -2.033 2.746 1.00 0.00 O ATOM 255 CB CYS A 18 -0.748 -1.695 4.752 1.00 0.00 C ATOM 256 SG CYS A 18 -0.621 0.124 4.655 1.00 0.00 S ATOM 0 H CYS A 18 -0.162 -4.138 4.308 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.844 -2.139 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.614 -1.954 5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.131 -2.081 5.268 1.00 0.00 H new ATOM 261 N CYS A 19 -0.190 -1.460 1.267 1.00 0.00 N ATOM 262 CA CYS A 19 0.747 -1.085 0.218 1.00 0.00 C ATOM 263 C CYS A 19 0.109 -0.083 -0.730 1.00 0.00 C ATOM 264 O CYS A 19 -1.114 -0.004 -0.822 1.00 0.00 O ATOM 265 CB CYS A 19 1.168 -2.328 -0.567 1.00 0.00 C ATOM 266 SG CYS A 19 2.958 -2.650 -0.572 1.00 0.00 S ATOM 0 H CYS A 19 -1.171 -1.325 1.022 1.00 0.00 H new ATOM 0 HA CYS A 19 1.622 -0.628 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.657 -3.196 -0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.828 -2.223 -1.597 1.00 0.00 H new ATOM 271 N GLN A 20 0.932 0.676 -1.438 1.00 0.00 N ATOM 272 CA GLN A 20 0.425 1.634 -2.407 1.00 0.00 C ATOM 273 C GLN A 20 0.068 0.936 -3.711 1.00 0.00 C ATOM 274 O GLN A 20 0.937 0.441 -4.430 1.00 0.00 O ATOM 275 CB GLN A 20 1.457 2.726 -2.672 1.00 0.00 C ATOM 276 CG GLN A 20 0.849 4.047 -3.118 1.00 0.00 C ATOM 277 CD GLN A 20 1.088 5.162 -2.120 1.00 0.00 C ATOM 278 OE1 GLN A 20 2.160 5.259 -1.522 1.00 0.00 O ATOM 279 NE2 GLN A 20 0.097 6.016 -1.941 1.00 0.00 N ATOM 0 H GLN A 20 1.949 0.647 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.474 2.091 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.039 2.892 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.152 2.379 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.271 4.330 -4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.223 3.919 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.776 5.900 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.204 6.792 -1.287 1.00 0.00 H new ATOM 288 N SER A 21 -1.216 0.880 -4.002 1.00 0.00 N ATOM 289 CA SER A 21 -1.687 0.291 -5.239 1.00 0.00 C ATOM 290 C SER A 21 -2.411 1.338 -6.075 1.00 0.00 C ATOM 291 O SER A 21 -3.274 2.057 -5.575 1.00 0.00 O ATOM 292 CB SER A 21 -2.603 -0.900 -4.943 1.00 0.00 C ATOM 293 OG SER A 21 -2.126 -1.635 -3.822 1.00 0.00 O ATOM 0 H SER A 21 -1.955 1.237 -3.396 1.00 0.00 H new ATOM 0 HA SER A 21 -0.831 -0.071 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.616 -0.547 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.655 -1.551 -5.816 1.00 0.00 H new ATOM 0 HG SER A 21 -1.153 -1.535 -3.755 1.00 0.00 H new ATOM 569 N SER A 42 7.569 -5.771 -8.421 1.00 0.00 N ATOM 570 CA SER A 42 7.044 -6.562 -7.324 1.00 0.00 C ATOM 571 C SER A 42 7.044 -5.743 -6.037 1.00 0.00 C ATOM 572 O SER A 42 7.706 -4.707 -5.951 1.00 0.00 O ATOM 573 CB SER A 42 7.888 -7.821 -7.159 1.00 0.00 C ATOM 574 OG SER A 42 8.857 -7.908 -8.193 1.00 0.00 O ATOM 0 HA SER A 42 6.016 -6.850 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.383 -7.809 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.246 -8.702 -7.179 1.00 0.00 H new ATOM 0 HG SER A 42 8.642 -7.262 -8.898 1.00 0.00 H new ATOM 580 N LEU A 43 6.306 -6.203 -5.041 1.00 0.00 N ATOM 581 CA LEU A 43 6.150 -5.454 -3.803 1.00 0.00 C ATOM 582 C LEU A 43 6.605 -6.282 -2.611 1.00 0.00 C ATOM 583 O LEU A 43 6.994 -7.438 -2.759 1.00 0.00 O ATOM 584 CB LEU A 43 4.687 -5.023 -3.614 1.00 0.00 C ATOM 585 CG LEU A 43 3.652 -5.793 -4.448 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.330 -5.892 -3.702 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.445 -5.127 -5.801 1.00 0.00 C ATOM 0 H LEU A 43 5.805 -7.091 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 43 6.774 -4.563 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.429 -5.130 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.606 -3.963 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 43 4.034 -6.800 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.610 -6.441 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.483 -6.416 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.948 -4.890 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.708 -5.689 -6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.089 -4.107 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.389 -5.107 -6.345 1.00 0.00 H new ATOM 599 N GLY A 44 6.566 -5.679 -1.439 1.00 0.00 N ATOM 600 CA GLY A 44 6.874 -6.396 -0.223 1.00 0.00 C ATOM 601 C GLY A 44 5.773 -6.217 0.792 1.00 0.00 C ATOM 602 O GLY A 44 5.137 -7.187 1.208 1.00 0.00 O ATOM 0 H GLY A 44 6.324 -4.697 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.005 -7.456 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.817 -6.037 0.188 1.00 0.00 H new ATOM 606 N CYS A 45 5.545 -4.959 1.162 1.00 0.00 N ATOM 607 CA CYS A 45 4.435 -4.574 2.025 1.00 0.00 C ATOM 608 C CYS A 45 4.532 -5.189 3.420 1.00 0.00 C ATOM 609 O CYS A 45 5.473 -5.917 3.744 1.00 0.00 O ATOM 610 CB CYS A 45 3.116 -4.970 1.369 1.00 0.00 C ATOM 611 SG CYS A 45 3.061 -4.669 -0.428 1.00 0.00 S ATOM 0 H CYS A 45 6.129 -4.176 0.869 1.00 0.00 H new ATOM 0 HA CYS A 45 4.481 -3.492 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.933 -6.028 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.305 -4.418 1.844 1.00 0.00 H new ATOM 616 N VAL A 46 3.553 -4.872 4.252 1.00 0.00 N ATOM 617 CA VAL A 46 3.473 -5.433 5.587 1.00 0.00 C ATOM 618 C VAL A 46 2.101 -6.048 5.808 1.00 0.00 C ATOM 619 O VAL A 46 1.104 -5.562 5.268 1.00 0.00 O ATOM 620 CB VAL A 46 3.730 -4.370 6.679 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.221 -4.123 6.848 1.00 0.00 C ATOM 622 CG2 VAL A 46 2.995 -3.072 6.369 1.00 0.00 C ATOM 0 H VAL A 46 2.799 -4.225 4.022 1.00 0.00 H new ATOM 0 HA VAL A 46 4.248 -6.195 5.665 1.00 0.00 H new ATOM 0 HB VAL A 46 3.339 -4.755 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.380 -3.371 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.713 -5.051 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.640 -3.769 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.195 -2.344 7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.340 -2.678 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.923 -3.264 6.317 1.00 0.00 H new ATOM 632 N VAL A 47 2.054 -7.119 6.589 1.00 0.00 N ATOM 633 CA VAL A 47 0.794 -7.760 6.922 1.00 0.00 C ATOM 634 C VAL A 47 -0.025 -6.851 7.830 1.00 0.00 C ATOM 635 O VAL A 47 0.432 -6.441 8.900 1.00 0.00 O ATOM 636 CB VAL A 47 1.009 -9.124 7.609 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.323 -9.767 7.972 1.00 0.00 C ATOM 638 CG2 VAL A 47 1.821 -10.047 6.716 1.00 0.00 C ATOM 0 H VAL A 47 2.875 -7.560 7.003 1.00 0.00 H new ATOM 0 HA VAL A 47 0.256 -7.936 5.991 1.00 0.00 H new ATOM 0 HB VAL A 47 1.565 -8.955 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.144 -10.728 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.868 -9.114 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.912 -9.920 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.963 -11.005 7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.291 -10.203 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.792 -9.596 6.514 1.00 0.00 H new ATOM 648 N GLY A 48 -1.220 -6.523 7.377 1.00 0.00 N ATOM 649 CA GLY A 48 -2.085 -5.637 8.115 1.00 0.00 C ATOM 650 C GLY A 48 -2.738 -6.325 9.291 1.00 0.00 C ATOM 651 O GLY A 48 -3.713 -7.061 9.129 1.00 0.00 O ATOM 0 H GLY A 48 -1.611 -6.861 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.509 -4.782 8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.856 -5.248 7.450 1.00 0.00 H new ATOM 655 N VAL A 49 -2.186 -6.103 10.472 1.00 0.00 N ATOM 656 CA VAL A 49 -2.772 -6.615 11.696 1.00 0.00 C ATOM 657 C VAL A 49 -4.128 -5.951 11.928 1.00 0.00 C ATOM 658 O VAL A 49 -4.230 -4.720 11.901 1.00 0.00 O ATOM 659 CB VAL A 49 -1.834 -6.376 12.911 1.00 0.00 C ATOM 660 CG1 VAL A 49 -2.619 -6.099 14.192 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.904 -7.567 13.098 1.00 0.00 C ATOM 0 H VAL A 49 -1.328 -5.568 10.608 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.909 -7.691 11.593 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.238 -5.488 12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.925 -5.938 15.017 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.234 -5.210 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.259 -6.952 14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.251 -7.388 13.952 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.495 -8.466 13.275 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.299 -7.701 12.201 1.00 0.00 H new ATOM 671 N ILE A 50 -5.162 -6.769 12.110 1.00 0.00 N ATOM 672 CA ILE A 50 -6.510 -6.267 12.356 1.00 0.00 C ATOM 673 C ILE A 50 -6.507 -5.243 13.485 1.00 0.00 C ATOM 674 O ILE A 50 -6.145 -5.551 14.626 1.00 0.00 O ATOM 675 CB ILE A 50 -7.491 -7.409 12.696 1.00 0.00 C ATOM 676 CG1 ILE A 50 -7.636 -8.357 11.503 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.853 -6.851 13.092 1.00 0.00 C ATOM 678 CD1 ILE A 50 -7.718 -9.818 11.895 1.00 0.00 C ATOM 0 H ILE A 50 -5.091 -7.786 12.091 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.847 -5.789 11.436 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.088 -7.965 13.542 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.532 -8.089 10.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.788 -8.216 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.529 -7.673 13.327 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.743 -6.210 13.967 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.263 -6.270 12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.820 -10.430 10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.811 -10.103 12.428 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.582 -9.974 12.540 1.00 0.00 H new ATOM 690 N GLY A 51 -6.895 -4.022 13.152 1.00 0.00 N ATOM 691 CA GLY A 51 -6.890 -2.953 14.124 1.00 0.00 C ATOM 692 C GLY A 51 -5.945 -1.838 13.737 1.00 0.00 C ATOM 693 O GLY A 51 -6.028 -0.731 14.268 1.00 0.00 O ATOM 0 H GLY A 51 -7.214 -3.753 12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.899 -2.553 14.228 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.603 -3.350 15.098 1.00 0.00 H new ATOM 697 N SER A 52 -5.036 -2.136 12.818 1.00 0.00 N ATOM 698 CA SER A 52 -4.093 -1.141 12.329 1.00 0.00 C ATOM 699 C SER A 52 -4.680 -0.405 11.130 1.00 0.00 C ATOM 700 O SER A 52 -5.634 -0.877 10.513 1.00 0.00 O ATOM 701 CB SER A 52 -2.771 -1.808 11.950 1.00 0.00 C ATOM 702 OG SER A 52 -2.466 -2.865 12.846 1.00 0.00 O ATOM 0 H SER A 52 -4.932 -3.059 12.397 1.00 0.00 H new ATOM 0 HA SER A 52 -3.902 -0.418 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.832 -2.194 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.969 -1.070 11.964 1.00 0.00 H new ATOM 0 HG SER A 52 -2.972 -3.665 12.593 1.00 0.00 H new ATOM 708 N GLN A 53 -4.109 0.741 10.797 1.00 0.00 N ATOM 709 CA GLN A 53 -4.617 1.551 9.697 1.00 0.00 C ATOM 710 C GLN A 53 -3.648 1.551 8.523 1.00 0.00 C ATOM 711 O GLN A 53 -2.454 1.298 8.686 1.00 0.00 O ATOM 712 CB GLN A 53 -4.870 2.990 10.151 1.00 0.00 C ATOM 713 CG GLN A 53 -5.982 3.121 11.178 1.00 0.00 C ATOM 714 CD GLN A 53 -5.472 3.607 12.519 1.00 0.00 C ATOM 715 OE1 GLN A 53 -4.265 3.693 12.743 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.386 3.933 13.415 1.00 0.00 N ATOM 0 H GLN A 53 -3.295 1.133 11.270 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.560 1.109 9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.950 3.396 10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.118 3.598 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.737 3.814 10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.471 2.155 11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.377 3.847 13.188 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.101 4.271 14.334 1.00 0.00 H new ATOM 725 N CYS A 54 -4.180 1.822 7.345 1.00 0.00 N ATOM 726 CA CYS A 54 -3.382 1.976 6.143 1.00 0.00 C ATOM 727 C CYS A 54 -3.823 3.240 5.420 1.00 0.00 C ATOM 728 O CYS A 54 -5.018 3.526 5.346 1.00 0.00 O ATOM 729 CB CYS A 54 -3.539 0.752 5.231 1.00 0.00 C ATOM 730 SG CYS A 54 -2.379 0.706 3.822 1.00 0.00 S ATOM 0 H CYS A 54 -5.182 1.942 7.195 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.329 2.058 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.403 -0.150 5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.559 0.729 4.847 1.00 0.00 H new ATOM 735 N GLY A 55 -2.865 4.006 4.920 1.00 0.00 N ATOM 736 CA GLY A 55 -3.194 5.243 4.238 1.00 0.00 C ATOM 737 C GLY A 55 -3.118 5.097 2.734 1.00 0.00 C ATOM 738 O GLY A 55 -3.451 6.022 1.992 1.00 0.00 O ATOM 0 H GLY A 55 -1.868 3.795 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.198 5.558 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.511 6.028 4.561 1.00 0.00 H new ATOM 742 N ALA A 56 -2.664 3.937 2.286 1.00 0.00 N ATOM 743 CA ALA A 56 -2.554 3.654 0.867 1.00 0.00 C ATOM 744 C ALA A 56 -3.698 2.751 0.411 1.00 0.00 C ATOM 745 O ALA A 56 -4.835 3.201 0.288 1.00 0.00 O ATOM 746 CB ALA A 56 -1.199 3.033 0.564 1.00 0.00 C ATOM 0 H ALA A 56 -2.364 3.172 2.891 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.631 4.588 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.125 2.824 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.409 3.725 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.091 2.104 1.124 1.00 0.00 H new ATOM 752 N SER A 57 -3.399 1.482 0.164 1.00 0.00 N ATOM 753 CA SER A 57 -4.411 0.531 -0.267 1.00 0.00 C ATOM 754 C SER A 57 -4.279 -0.778 0.502 1.00 0.00 C ATOM 755 O SER A 57 -3.170 -1.182 0.869 1.00 0.00 O ATOM 756 CB SER A 57 -4.284 0.267 -1.769 1.00 0.00 C ATOM 757 OG SER A 57 -3.572 1.315 -2.415 1.00 0.00 O ATOM 0 H SER A 57 -2.462 1.089 0.255 1.00 0.00 H new ATOM 0 HA SER A 57 -5.392 0.959 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.770 -0.680 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.276 0.172 -2.210 1.00 0.00 H new ATOM 0 HG SER A 57 -3.888 1.404 -3.339 1.00 0.00 H new ATOM 763 N VAL A 58 -5.405 -1.431 0.744 1.00 0.00 N ATOM 764 CA VAL A 58 -5.413 -2.700 1.452 1.00 0.00 C ATOM 765 C VAL A 58 -5.813 -3.825 0.507 1.00 0.00 C ATOM 766 O VAL A 58 -6.980 -3.959 0.139 1.00 0.00 O ATOM 767 CB VAL A 58 -6.376 -2.683 2.660 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.087 -3.853 3.591 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.281 -1.358 3.406 1.00 0.00 C ATOM 0 H VAL A 58 -6.327 -1.101 0.459 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.403 -2.867 1.826 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.395 -2.788 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.775 -3.824 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.217 -4.790 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.062 -3.783 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.967 -1.367 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.262 -1.215 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.546 -0.542 2.733 1.00 0.00 H new ATOM 779 N LYS A 59 -4.836 -4.628 0.124 1.00 0.00 N ATOM 780 CA LYS A 59 -5.065 -5.754 -0.771 1.00 0.00 C ATOM 781 C LYS A 59 -4.659 -7.040 -0.074 1.00 0.00 C ATOM 782 O LYS A 59 -3.857 -7.009 0.854 1.00 0.00 O ATOM 783 CB LYS A 59 -4.273 -5.586 -2.077 1.00 0.00 C ATOM 784 CG LYS A 59 -3.097 -4.618 -1.974 1.00 0.00 C ATOM 785 CD LYS A 59 -1.808 -5.241 -2.489 1.00 0.00 C ATOM 786 CE LYS A 59 -1.770 -5.280 -4.007 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.035 -4.122 -4.582 1.00 0.00 N ATOM 0 H LYS A 59 -3.866 -4.521 0.421 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.125 -5.794 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.900 -6.561 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.950 -5.237 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.318 -3.715 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.965 -4.315 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.955 -4.672 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.711 -6.253 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.297 -6.206 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.789 -5.289 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.064 -4.173 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.480 -3.237 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.046 -4.145 -4.262 1.00 0.00 H new ATOM 801 N CYS A 60 -5.192 -8.167 -0.510 1.00 0.00 N ATOM 802 CA CYS A 60 -4.891 -9.424 0.147 1.00 0.00 C ATOM 803 C CYS A 60 -3.908 -10.224 -0.685 1.00 0.00 C ATOM 804 O CYS A 60 -4.172 -10.552 -1.842 1.00 0.00 O ATOM 805 CB CYS A 60 -6.171 -10.213 0.402 1.00 0.00 C ATOM 806 SG CYS A 60 -7.177 -9.539 1.764 1.00 0.00 S ATOM 0 H CYS A 60 -5.827 -8.238 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.430 -9.218 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.769 -10.226 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.912 -11.247 0.628 1.00 0.00 H new ATOM 811 N CYS A 61 -2.764 -10.517 -0.100 1.00 0.00 N ATOM 812 CA CYS A 61 -1.711 -11.201 -0.817 1.00 0.00 C ATOM 813 C CYS A 61 -1.293 -12.464 -0.088 1.00 0.00 C ATOM 814 O CYS A 61 -1.431 -12.576 1.131 1.00 0.00 O ATOM 815 CB CYS A 61 -0.502 -10.281 -1.001 1.00 0.00 C ATOM 816 SG CYS A 61 0.173 -10.260 -2.698 1.00 0.00 S ATOM 0 H CYS A 61 -2.541 -10.292 0.870 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.097 -11.478 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.786 -9.266 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.285 -10.592 -0.313 1.00 0.00 H new ATOM 821 N LYS A 62 -0.819 -13.421 -0.855 1.00 0.00 N ATOM 822 CA LYS A 62 -0.267 -14.644 -0.327 1.00 0.00 C ATOM 823 C LYS A 62 0.985 -14.998 -1.103 1.00 0.00 C ATOM 824 O LYS A 62 1.024 -14.898 -2.336 1.00 0.00 O ATOM 825 CB LYS A 62 -1.287 -15.780 -0.417 1.00 0.00 C ATOM 826 CG LYS A 62 -1.206 -16.772 0.731 1.00 0.00 C ATOM 827 CD LYS A 62 -0.487 -18.045 0.312 1.00 0.00 C ATOM 828 CE LYS A 62 -1.452 -19.212 0.150 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.510 -19.209 1.194 1.00 0.00 N ATOM 0 H LYS A 62 -0.807 -13.369 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.017 -14.500 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.290 -15.354 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.140 -16.313 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.683 -16.316 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.211 -17.016 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.037 -17.874 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.268 -18.298 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.915 -19.165 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.898 -20.150 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.785 -20.188 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.148 -18.751 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.339 -18.686 0.846 1.00 0.00 H new ATOM 843 N ASP A 63 2.007 -15.378 -0.376 1.00 0.00 N ATOM 844 CA ASP A 63 3.274 -15.756 -0.969 1.00 0.00 C ATOM 845 C ASP A 63 4.007 -16.724 -0.059 1.00 0.00 C ATOM 846 O ASP A 63 3.444 -17.200 0.929 1.00 0.00 O ATOM 847 CB ASP A 63 4.131 -14.517 -1.214 1.00 0.00 C ATOM 848 CG ASP A 63 4.947 -14.630 -2.482 1.00 0.00 C ATOM 849 OD1 ASP A 63 6.043 -15.225 -2.430 1.00 0.00 O ATOM 850 OD2 ASP A 63 4.499 -14.115 -3.526 1.00 0.00 O ATOM 0 H ASP A 63 1.988 -15.435 0.642 1.00 0.00 H new ATOM 0 HA ASP A 63 3.082 -16.245 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.488 -13.639 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.799 -14.366 -0.366 1.00 0.00 H new ATOM 855 N ASP A 64 5.259 -17.005 -0.381 1.00 0.00 N ATOM 856 CA ASP A 64 6.062 -17.914 0.423 1.00 0.00 C ATOM 857 C ASP A 64 7.094 -17.137 1.223 1.00 0.00 C ATOM 858 O ASP A 64 8.235 -17.574 1.390 1.00 0.00 O ATOM 859 CB ASP A 64 6.758 -18.951 -0.462 1.00 0.00 C ATOM 860 CG ASP A 64 6.998 -20.259 0.261 1.00 0.00 C ATOM 861 OD1 ASP A 64 6.825 -20.308 1.497 1.00 0.00 O ATOM 862 OD2 ASP A 64 7.348 -21.256 -0.404 1.00 0.00 O ATOM 0 H ASP A 64 5.741 -16.618 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 64 5.398 -18.437 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.150 -19.135 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.711 -18.549 -0.807 1.00 0.00 H new ATOM 867 N VAL A 65 6.691 -15.980 1.714 1.00 0.00 N ATOM 868 CA VAL A 65 7.584 -15.142 2.488 1.00 0.00 C ATOM 869 C VAL A 65 7.270 -15.242 3.971 1.00 0.00 C ATOM 870 O VAL A 65 6.119 -15.128 4.392 1.00 0.00 O ATOM 871 CB VAL A 65 7.535 -13.665 2.037 1.00 0.00 C ATOM 872 CG1 VAL A 65 6.104 -13.147 1.984 1.00 0.00 C ATOM 873 CG2 VAL A 65 8.395 -12.785 2.942 1.00 0.00 C ATOM 0 H VAL A 65 5.752 -15.601 1.590 1.00 0.00 H new ATOM 0 HA VAL A 65 8.594 -15.510 2.311 1.00 0.00 H new ATOM 0 HB VAL A 65 7.945 -13.618 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.106 -12.105 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.527 -13.743 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.653 -13.221 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.342 -11.751 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.028 -12.849 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.429 -13.126 2.905 1.00 0.00 H new ATOM 883 N THR A 66 8.298 -15.496 4.747 1.00 0.00 N ATOM 884 CA THR A 66 8.182 -15.524 6.185 1.00 0.00 C ATOM 885 C THR A 66 9.261 -14.636 6.793 1.00 0.00 C ATOM 886 O THR A 66 9.995 -13.959 6.067 1.00 0.00 O ATOM 887 CB THR A 66 8.306 -16.961 6.721 1.00 0.00 C ATOM 888 OG1 THR A 66 7.939 -17.011 8.105 1.00 0.00 O ATOM 889 CG2 THR A 66 9.721 -17.472 6.541 1.00 0.00 C ATOM 0 H THR A 66 9.237 -15.689 4.399 1.00 0.00 H new ATOM 0 HA THR A 66 7.198 -15.148 6.467 1.00 0.00 H new ATOM 0 HB THR A 66 7.628 -17.599 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.250 -16.338 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.792 -18.490 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.978 -17.465 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.412 -16.829 7.086 1.00 0.00 H new ATOM 897 N ASN A 67 9.372 -14.644 8.106 1.00 0.00 N ATOM 898 CA ASN A 67 10.308 -13.769 8.777 1.00 0.00 C ATOM 899 C ASN A 67 11.367 -14.553 9.536 1.00 0.00 C ATOM 900 O ASN A 67 11.060 -15.488 10.278 1.00 0.00 O ATOM 901 CB ASN A 67 9.568 -12.850 9.731 1.00 0.00 C ATOM 902 CG ASN A 67 10.361 -11.607 10.059 1.00 0.00 C ATOM 903 OD1 ASN A 67 11.403 -11.333 9.458 1.00 0.00 O ATOM 904 ND2 ASN A 67 9.876 -10.856 11.023 1.00 0.00 N ATOM 0 H ASN A 67 8.828 -15.244 8.726 1.00 0.00 H new ATOM 0 HA ASN A 67 10.812 -13.177 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.614 -12.564 9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.344 -13.389 10.651 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.365 -10.006 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.010 -11.123 11.491 1.00 0.00 H new ATOM 911 N THR A 68 12.613 -14.177 9.315 1.00 0.00 N ATOM 912 CA THR A 68 13.731 -14.691 10.087 1.00 0.00 C ATOM 913 C THR A 68 14.319 -13.556 10.933 1.00 0.00 C ATOM 914 O THR A 68 15.178 -13.764 11.791 1.00 0.00 O ATOM 915 CB THR A 68 14.818 -15.277 9.155 1.00 0.00 C ATOM 916 OG1 THR A 68 14.234 -16.244 8.266 1.00 0.00 O ATOM 917 CG2 THR A 68 15.932 -15.938 9.952 1.00 0.00 C ATOM 0 H THR A 68 12.880 -13.506 8.595 1.00 0.00 H new ATOM 0 HA THR A 68 13.377 -15.491 10.738 1.00 0.00 H new ATOM 0 HB THR A 68 15.243 -14.454 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.928 -16.609 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.680 -16.340 9.268 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.398 -15.201 10.607 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.518 -16.748 10.553 1.00 0.00 H new ATOM 925 N GLY A 69 13.806 -12.355 10.704 1.00 0.00 N ATOM 926 CA GLY A 69 14.351 -11.171 11.337 1.00 0.00 C ATOM 927 C GLY A 69 14.694 -10.114 10.311 1.00 0.00 C ATOM 928 O GLY A 69 15.755 -9.489 10.374 1.00 0.00 O ATOM 0 H GLY A 69 13.015 -12.179 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.629 -10.771 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.244 -11.436 11.903 1.00 0.00 H new ATOM 932 N ASN A 70 13.792 -9.917 9.360 1.00 0.00 N ATOM 933 CA ASN A 70 14.033 -9.011 8.245 1.00 0.00 C ATOM 934 C ASN A 70 13.410 -7.649 8.509 1.00 0.00 C ATOM 935 O ASN A 70 12.656 -7.477 9.467 1.00 0.00 O ATOM 936 CB ASN A 70 13.450 -9.597 6.957 1.00 0.00 C ATOM 937 CG ASN A 70 14.517 -10.115 6.010 1.00 0.00 C ATOM 938 OD1 ASN A 70 15.672 -10.296 6.395 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.138 -10.364 4.766 1.00 0.00 N ATOM 0 H ASN A 70 12.881 -10.375 9.338 1.00 0.00 H new ATOM 0 HA ASN A 70 15.110 -8.888 8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.769 -10.410 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.861 -8.833 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.813 -10.719 4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.171 -10.201 4.485 1.00 0.00 H new ATOM 946 N SER A 71 13.728 -6.684 7.657 1.00 0.00 N ATOM 947 CA SER A 71 13.160 -5.352 7.761 1.00 0.00 C ATOM 948 C SER A 71 11.647 -5.400 7.556 1.00 0.00 C ATOM 949 O SER A 71 10.891 -4.702 8.234 1.00 0.00 O ATOM 950 CB SER A 71 13.811 -4.449 6.716 1.00 0.00 C ATOM 951 OG SER A 71 14.847 -5.143 6.034 1.00 0.00 O ATOM 0 H SER A 71 14.381 -6.803 6.882 1.00 0.00 H new ATOM 0 HA SER A 71 13.353 -4.952 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.061 -4.110 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.217 -3.560 7.198 1.00 0.00 H new ATOM 0 HG SER A 71 15.253 -4.551 5.367 1.00 0.00 H new ATOM 957 N PHE A 72 11.223 -6.238 6.612 1.00 0.00 N ATOM 958 CA PHE A 72 9.810 -6.443 6.323 1.00 0.00 C ATOM 959 C PHE A 72 9.650 -7.629 5.369 1.00 0.00 C ATOM 960 O PHE A 72 10.633 -8.305 5.053 1.00 0.00 O ATOM 961 CB PHE A 72 9.182 -5.159 5.746 1.00 0.00 C ATOM 962 CG PHE A 72 9.386 -4.945 4.270 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.642 -5.064 3.690 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.310 -4.628 3.461 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.814 -4.866 2.333 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.477 -4.430 2.107 1.00 0.00 C ATOM 967 CZ PHE A 72 9.728 -4.553 1.540 1.00 0.00 C ATOM 0 H PHE A 72 11.850 -6.792 6.028 1.00 0.00 H new ATOM 0 HA PHE A 72 9.280 -6.673 7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.111 -5.176 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.593 -4.302 6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.493 -5.314 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.326 -4.534 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.796 -4.956 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.627 -4.178 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.858 -4.405 0.478 1.00 0.00 H new ATOM 977 N LEU A 73 8.430 -7.876 4.911 1.00 0.00 N ATOM 978 CA LEU A 73 8.153 -9.017 4.046 1.00 0.00 C ATOM 979 C LEU A 73 8.414 -8.669 2.585 1.00 0.00 C ATOM 980 O LEU A 73 8.382 -7.505 2.201 1.00 0.00 O ATOM 981 CB LEU A 73 6.704 -9.474 4.216 1.00 0.00 C ATOM 982 CG LEU A 73 6.252 -9.691 5.658 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.228 -8.642 6.055 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.683 -11.091 5.828 1.00 0.00 C ATOM 0 H LEU A 73 7.615 -7.301 5.124 1.00 0.00 H new ATOM 0 HA LEU A 73 8.821 -9.828 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.051 -8.733 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.567 -10.405 3.666 1.00 0.00 H new ATOM 0 HG LEU A 73 7.116 -9.590 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.916 -8.810 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.671 -7.650 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.362 -8.712 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.365 -11.231 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.828 -11.219 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.448 -11.827 5.581 1.00 0.00 H new ATOM 996 N ILE A 74 8.690 -9.686 1.779 1.00 0.00 N ATOM 997 CA ILE A 74 8.888 -9.502 0.345 1.00 0.00 C ATOM 998 C ILE A 74 8.086 -10.542 -0.429 1.00 0.00 C ATOM 999 O ILE A 74 8.356 -11.741 -0.341 1.00 0.00 O ATOM 1000 CB ILE A 74 10.379 -9.608 -0.073 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.290 -9.838 1.148 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.796 -8.367 -0.851 1.00 0.00 C ATOM 1003 CD1 ILE A 74 11.915 -8.577 1.716 1.00 0.00 C ATOM 0 H ILE A 74 8.782 -10.652 2.095 1.00 0.00 H new ATOM 0 HA ILE A 74 8.545 -8.495 0.109 1.00 0.00 H new ATOM 0 HB ILE A 74 10.492 -10.475 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.709 -10.325 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.086 -10.527 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.844 -8.453 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.180 -8.275 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.663 -7.484 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.539 -8.834 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.527 -8.098 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.129 -7.892 2.033 1.00 0.00 H new ATOM 1015 N ILE A 75 7.096 -10.081 -1.181 1.00 0.00 N ATOM 1016 CA ILE A 75 6.211 -10.979 -1.911 1.00 0.00 C ATOM 1017 C ILE A 75 6.531 -10.977 -3.400 1.00 0.00 C ATOM 1018 O ILE A 75 7.054 -10.004 -3.940 1.00 0.00 O ATOM 1019 CB ILE A 75 4.720 -10.609 -1.710 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.518 -9.096 -1.826 1.00 0.00 C ATOM 1021 CG2 ILE A 75 4.225 -11.113 -0.360 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.100 -8.643 -1.541 1.00 0.00 C ATOM 0 H ILE A 75 6.885 -9.090 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 75 6.380 -11.977 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 75 4.137 -11.092 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.195 -8.595 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.796 -8.778 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.176 -10.845 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.331 -12.197 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.814 -10.658 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.037 -7.560 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.418 -9.115 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.824 -8.928 -0.526 1.00 0.00 H new ATOM 1034 N ASN A 76 6.218 -12.081 -4.055 1.00 0.00 N ATOM 1035 CA ASN A 76 6.420 -12.208 -5.489 1.00 0.00 C ATOM 1036 C ASN A 76 5.138 -11.849 -6.214 1.00 0.00 C ATOM 1037 O ASN A 76 5.090 -11.825 -7.443 1.00 0.00 O ATOM 1038 CB ASN A 76 6.825 -13.639 -5.847 1.00 0.00 C ATOM 1039 CG ASN A 76 8.160 -14.041 -5.254 1.00 0.00 C ATOM 1040 OD1 ASN A 76 9.217 -13.632 -5.734 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.122 -14.842 -4.201 1.00 0.00 N ATOM 0 H ASN A 76 5.820 -12.909 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 76 7.218 -11.530 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.056 -14.327 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.871 -13.738 -6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.990 -15.142 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.225 -15.159 -3.833 1.00 0.00 H new ATOM 1048 N ALA A 77 4.101 -11.584 -5.422 1.00 0.00 N ATOM 1049 CA ALA A 77 2.767 -11.302 -5.934 1.00 0.00 C ATOM 1050 C ALA A 77 2.223 -12.523 -6.662 1.00 0.00 C ATOM 1051 O ALA A 77 1.446 -12.405 -7.609 1.00 0.00 O ATOM 1052 CB ALA A 77 2.765 -10.070 -6.838 1.00 0.00 C ATOM 0 H ALA A 77 4.165 -11.559 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 77 2.113 -11.079 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.754 -9.888 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.108 -9.203 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.431 -10.238 -7.684 1.00 0.00 H new ATOM 1058 N ALA A 78 2.640 -13.704 -6.205 1.00 0.00 N ATOM 1059 CA ALA A 78 2.217 -14.956 -6.815 1.00 0.00 C ATOM 1060 C ALA A 78 0.732 -15.198 -6.577 1.00 0.00 C ATOM 1061 O ALA A 78 0.024 -15.703 -7.451 1.00 0.00 O ATOM 1062 CB ALA A 78 3.039 -16.113 -6.272 1.00 0.00 C ATOM 0 H ALA A 78 3.272 -13.815 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 78 2.382 -14.887 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.711 -17.042 -6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.093 -15.947 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.904 -16.180 -5.193 1.00 0.00 H new ATOM 1068 N ASN A 79 0.269 -14.845 -5.385 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.142 -14.962 -5.049 1.00 0.00 C ATOM 1070 C ASN A 79 -1.652 -13.645 -4.479 1.00 0.00 C ATOM 1071 O ASN A 79 -1.746 -13.488 -3.272 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.373 -16.075 -4.014 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.496 -17.295 -4.225 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -0.891 -18.251 -4.884 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.702 -17.268 -3.658 1.00 0.00 N ATOM 0 H ASN A 79 0.852 -14.475 -4.634 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.684 -15.209 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.190 -15.675 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.419 -16.380 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.334 -18.062 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.992 -16.453 -3.118 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.962 -12.688 -5.332 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.498 -11.419 -4.854 1.00 0.00 C ATOM 1084 C CYS A 80 -3.878 -11.169 -5.442 1.00 0.00 C ATOM 1085 O CYS A 80 -4.079 -11.291 -6.654 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.557 -10.260 -5.195 1.00 0.00 C ATOM 1087 SG CYS A 80 -1.169 -9.179 -3.775 1.00 0.00 S ATOM 0 H CYS A 80 -1.856 -12.758 -6.344 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.584 -11.478 -3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.628 -10.665 -5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.008 -9.659 -5.984 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.831 -10.824 -4.584 1.00 0.00 N ATOM 1093 CA VAL A 81 -6.198 -10.595 -5.022 1.00 0.00 C ATOM 1094 C VAL A 81 -6.695 -9.224 -4.579 1.00 0.00 C ATOM 1095 O VAL A 81 -6.296 -8.710 -3.526 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.167 -11.680 -4.495 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.092 -12.929 -5.361 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.872 -12.014 -3.041 1.00 0.00 C ATOM 0 H VAL A 81 -4.680 -10.697 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.184 -10.643 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.181 -11.284 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.780 -13.681 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.366 -12.678 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.076 -13.324 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.567 -12.779 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.851 -12.385 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.986 -11.118 -2.431 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.563 -8.644 -5.392 1.00 0.00 N ATOM 1109 CA ALA A 82 -8.152 -7.347 -5.107 1.00 0.00 C ATOM 1110 C ALA A 82 -9.536 -7.281 -5.727 1.00 0.00 C ATOM 1111 O ALA A 82 -9.785 -8.048 -6.686 1.00 0.00 O ATOM 1112 CB ALA A 82 -7.268 -6.226 -5.641 1.00 0.00 C ATOM 1113 OXT ALA A 82 -10.374 -6.497 -5.251 1.00 0.00 O ATOM 0 H ALA A 82 -7.879 -9.060 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.235 -7.218 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.727 -5.263 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.287 -6.279 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.157 -6.333 -6.720 1.00 0.00 H new