USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 756 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 53 LYS NZ :NH3+ -152:sc= 0.00167 (180deg=-0.00885) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 ASN : amide:sc=-0.00187 K(o=-0.0019,f=-1.9) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0114) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.292) USER MOD Single : A 46 GLN : amide:sc=-0.00391 K(o=-0.0039,f=-0.84) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.174 X(o=-0.17,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.165 F(o=-0.41,f=0.17) USER MOD Single : A 68 ASN : amide:sc= -1.4 K(o=-1.4,f=-9.5!) USER MOD Single : A 69 ASN : amide:sc= -0.0441 K(o=-0.044,f=-1.7!) USER MOD Single : A 70 CYS SG : rot 21:sc= -1.03 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 72 MET CE :methyl 179:sc= -3.99! (180deg=-4.07!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -68:sc= 0.556 USER MOD Single : A 79 TYR OH : rot -82:sc= 0.581 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0.486 (180deg=0.37) USER MOD Single : A 87 CYS SG : rot 29:sc= -1.33 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 97:sc= 0.614 USER MOD Single : A 95 SER OG : rot 6:sc= 0.812 USER MOD Single : A 98 SER OG : rot 180:sc= -0.213 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.586 -5.538 -22.368 1.00 0.00 N ATOM 2 CA GLY A 1 -17.290 -6.189 -22.418 1.00 0.00 C ATOM 3 C GLY A 1 -16.459 -5.735 -23.602 1.00 0.00 C ATOM 4 O GLY A 1 -15.442 -5.062 -23.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.116 -5.882 -21.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.455 -4.509 -22.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.118 -5.756 -23.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.747 -5.982 -21.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.431 -7.269 -22.469 1.00 0.00 H new ATOM 8 N SER A 2 -16.892 -6.105 -24.803 1.00 0.00 N ATOM 9 CA SER A 2 -16.178 -5.737 -26.020 1.00 0.00 C ATOM 10 C SER A 2 -16.107 -4.220 -26.170 1.00 0.00 C ATOM 11 O SER A 2 -16.907 -3.489 -25.586 1.00 0.00 O ATOM 12 CB SER A 2 -16.862 -6.350 -27.244 1.00 0.00 C ATOM 13 OG SER A 2 -18.188 -5.870 -27.380 1.00 0.00 O ATOM 0 H SER A 2 -17.734 -6.659 -24.959 1.00 0.00 H new ATOM 0 HA SER A 2 -15.162 -6.126 -25.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.291 -6.111 -28.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.872 -7.436 -27.153 1.00 0.00 H new ATOM 0 HG SER A 2 -18.603 -6.275 -28.170 1.00 0.00 H new ATOM 19 N SER A 3 -15.142 -3.754 -26.957 1.00 0.00 N ATOM 20 CA SER A 3 -14.963 -2.324 -27.182 1.00 0.00 C ATOM 21 C SER A 3 -14.782 -1.585 -25.859 1.00 0.00 C ATOM 22 O SER A 3 -15.368 -0.525 -25.643 1.00 0.00 O ATOM 23 CB SER A 3 -16.162 -1.751 -27.940 1.00 0.00 C ATOM 24 OG SER A 3 -16.066 -2.024 -29.327 1.00 0.00 O ATOM 0 H SER A 3 -14.473 -4.346 -27.449 1.00 0.00 H new ATOM 0 HA SER A 3 -14.064 -2.185 -27.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.084 -2.178 -27.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.216 -0.674 -27.781 1.00 0.00 H new ATOM 0 HG SER A 3 -16.845 -1.649 -29.789 1.00 0.00 H new ATOM 30 N GLY A 4 -13.966 -2.154 -24.977 1.00 0.00 N ATOM 31 CA GLY A 4 -13.722 -1.537 -23.686 1.00 0.00 C ATOM 32 C GLY A 4 -13.171 -2.517 -22.670 1.00 0.00 C ATOM 33 O GLY A 4 -13.097 -3.717 -22.932 1.00 0.00 O ATOM 0 H GLY A 4 -13.470 -3.031 -25.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.020 -0.712 -23.808 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.652 -1.111 -23.309 1.00 0.00 H new ATOM 37 N SER A 5 -12.781 -2.004 -21.507 1.00 0.00 N ATOM 38 CA SER A 5 -12.228 -2.842 -20.449 1.00 0.00 C ATOM 39 C SER A 5 -12.976 -2.625 -19.138 1.00 0.00 C ATOM 40 O SER A 5 -12.858 -1.573 -18.510 1.00 0.00 O ATOM 41 CB SER A 5 -10.740 -2.541 -20.257 1.00 0.00 C ATOM 42 OG SER A 5 -9.972 -3.061 -21.328 1.00 0.00 O ATOM 0 H SER A 5 -12.838 -1.013 -21.274 1.00 0.00 H new ATOM 0 HA SER A 5 -12.345 -3.884 -20.745 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.590 -1.464 -20.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.397 -2.972 -19.317 1.00 0.00 H new ATOM 0 HG SER A 5 -9.025 -2.854 -21.182 1.00 0.00 H new ATOM 48 N SER A 6 -13.745 -3.629 -18.730 1.00 0.00 N ATOM 49 CA SER A 6 -14.516 -3.549 -17.495 1.00 0.00 C ATOM 50 C SER A 6 -13.716 -4.099 -16.318 1.00 0.00 C ATOM 51 O SER A 6 -13.092 -5.155 -16.417 1.00 0.00 O ATOM 52 CB SER A 6 -15.830 -4.319 -17.638 1.00 0.00 C ATOM 53 OG SER A 6 -15.617 -5.716 -17.534 1.00 0.00 O ATOM 0 H SER A 6 -13.851 -4.508 -19.237 1.00 0.00 H new ATOM 0 HA SER A 6 -14.738 -2.499 -17.302 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.530 -3.996 -16.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.287 -4.088 -18.600 1.00 0.00 H new ATOM 0 HG SER A 6 -16.472 -6.185 -17.627 1.00 0.00 H new ATOM 59 N GLY A 7 -13.741 -3.375 -15.203 1.00 0.00 N ATOM 60 CA GLY A 7 -13.015 -3.806 -14.022 1.00 0.00 C ATOM 61 C GLY A 7 -12.110 -2.723 -13.471 1.00 0.00 C ATOM 62 O GLY A 7 -10.997 -2.527 -13.959 1.00 0.00 O ATOM 0 H GLY A 7 -14.251 -2.498 -15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.726 -4.108 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.418 -4.684 -14.267 1.00 0.00 H new ATOM 66 N ALA A 8 -12.588 -2.015 -12.453 1.00 0.00 N ATOM 67 CA ALA A 8 -11.814 -0.946 -11.835 1.00 0.00 C ATOM 68 C ALA A 8 -12.328 -0.636 -10.433 1.00 0.00 C ATOM 69 O ALA A 8 -13.475 -0.226 -10.258 1.00 0.00 O ATOM 70 CB ALA A 8 -11.854 0.303 -12.702 1.00 0.00 C ATOM 0 H ALA A 8 -13.508 -2.163 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.781 -1.282 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.272 1.093 -12.228 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.432 0.079 -13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.886 0.633 -12.818 1.00 0.00 H new ATOM 76 N ALA A 9 -11.471 -0.835 -9.436 1.00 0.00 N ATOM 77 CA ALA A 9 -11.839 -0.576 -8.050 1.00 0.00 C ATOM 78 C ALA A 9 -10.951 0.503 -7.439 1.00 0.00 C ATOM 79 O ALA A 9 -11.393 1.280 -6.593 1.00 0.00 O ATOM 80 CB ALA A 9 -11.754 -1.857 -7.233 1.00 0.00 C ATOM 0 H ALA A 9 -10.518 -1.175 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.868 -0.216 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.032 -1.649 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.435 -2.600 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.735 -2.242 -7.264 1.00 0.00 H new ATOM 86 N PHE A 10 -9.695 0.545 -7.874 1.00 0.00 N ATOM 87 CA PHE A 10 -8.744 1.529 -7.368 1.00 0.00 C ATOM 88 C PHE A 10 -8.710 2.763 -8.265 1.00 0.00 C ATOM 89 O PHE A 10 -8.403 2.672 -9.453 1.00 0.00 O ATOM 90 CB PHE A 10 -7.346 0.915 -7.273 1.00 0.00 C ATOM 91 CG PHE A 10 -7.199 -0.070 -6.149 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.960 0.367 -4.855 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.299 -1.431 -6.384 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.823 -0.537 -3.819 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.164 -2.340 -5.352 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.926 -1.892 -4.067 1.00 0.00 C ATOM 0 H PHE A 10 -9.313 -0.090 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.068 1.834 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.112 0.418 -8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.615 1.713 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.880 1.425 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.485 -1.787 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.635 -0.184 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.244 -3.399 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.821 -2.600 -3.258 1.00 0.00 H new ATOM 106 N ALA A 11 -9.029 3.916 -7.686 1.00 0.00 N ATOM 107 CA ALA A 11 -9.034 5.169 -8.430 1.00 0.00 C ATOM 108 C ALA A 11 -7.621 5.723 -8.582 1.00 0.00 C ATOM 109 O ALA A 11 -7.286 6.327 -9.601 1.00 0.00 O ATOM 110 CB ALA A 11 -9.932 6.188 -7.744 1.00 0.00 C ATOM 0 H ALA A 11 -9.287 4.008 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.427 4.969 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.926 7.119 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.950 5.801 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.565 6.376 -6.735 1.00 0.00 H new ATOM 116 N LYS A 12 -6.797 5.515 -7.561 1.00 0.00 N ATOM 117 CA LYS A 12 -5.419 5.993 -7.580 1.00 0.00 C ATOM 118 C LYS A 12 -4.457 4.898 -7.130 1.00 0.00 C ATOM 119 O LYS A 12 -4.151 4.778 -5.943 1.00 0.00 O ATOM 120 CB LYS A 12 -5.271 7.220 -6.677 1.00 0.00 C ATOM 121 CG LYS A 12 -4.065 8.080 -7.014 1.00 0.00 C ATOM 122 CD LYS A 12 -3.680 8.979 -5.851 1.00 0.00 C ATOM 123 CE LYS A 12 -4.618 10.170 -5.733 1.00 0.00 C ATOM 124 NZ LYS A 12 -4.321 11.214 -6.753 1.00 0.00 N ATOM 0 H LYS A 12 -7.059 5.018 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.171 6.271 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.173 7.828 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.194 6.891 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.222 7.440 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.285 8.690 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.700 8.405 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.657 9.332 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.648 9.833 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.533 10.602 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.913 12.051 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.318 11.481 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.525 10.840 -7.702 1.00 0.00 H new ATOM 138 N ILE A 13 -3.984 4.103 -8.084 1.00 0.00 N ATOM 139 CA ILE A 13 -3.055 3.021 -7.785 1.00 0.00 C ATOM 140 C ILE A 13 -1.698 3.565 -7.352 1.00 0.00 C ATOM 141 O ILE A 13 -1.398 4.744 -7.547 1.00 0.00 O ATOM 142 CB ILE A 13 -2.860 2.094 -9.000 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.238 2.867 -10.164 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.188 1.479 -9.415 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.547 1.982 -11.177 1.00 0.00 C ATOM 0 H ILE A 13 -4.229 4.188 -9.070 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.492 2.448 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.181 1.289 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.017 3.440 -10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.518 3.584 -9.770 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.034 0.827 -10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.595 0.898 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.888 2.271 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.130 2.598 -11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.745 1.428 -10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.267 1.282 -11.600 1.00 0.00 H new ATOM 157 N LEU A 14 -0.879 2.699 -6.766 1.00 0.00 N ATOM 158 CA LEU A 14 0.449 3.091 -6.306 1.00 0.00 C ATOM 159 C LEU A 14 1.387 3.321 -7.487 1.00 0.00 C ATOM 160 O LEU A 14 1.413 2.535 -8.434 1.00 0.00 O ATOM 161 CB LEU A 14 1.028 2.020 -5.381 1.00 0.00 C ATOM 162 CG LEU A 14 0.118 1.553 -4.243 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.406 0.102 -3.891 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.292 2.445 -3.022 1.00 0.00 C ATOM 0 H LEU A 14 -1.111 1.720 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 14 0.354 4.025 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.296 1.153 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.951 2.404 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.917 1.626 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.250 -0.213 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.230 -0.526 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.445 0.003 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.363 2.099 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.328 2.404 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.035 3.472 -3.282 1.00 0.00 H new ATOM 176 N ASP A 15 2.158 4.401 -7.421 1.00 0.00 N ATOM 177 CA ASP A 15 3.101 4.733 -8.483 1.00 0.00 C ATOM 178 C ASP A 15 3.772 3.475 -9.026 1.00 0.00 C ATOM 179 O ASP A 15 3.855 2.446 -8.355 1.00 0.00 O ATOM 180 CB ASP A 15 4.160 5.708 -7.968 1.00 0.00 C ATOM 181 CG ASP A 15 3.646 7.132 -7.889 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.658 7.826 -8.928 1.00 0.00 O ATOM 183 OD2 ASP A 15 3.231 7.553 -6.789 1.00 0.00 O ATOM 0 H ASP A 15 2.149 5.061 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 15 2.546 5.206 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.493 5.390 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.030 5.675 -8.624 1.00 0.00 H new ATOM 188 N PRO A 16 4.262 3.556 -10.272 1.00 0.00 N ATOM 189 CA PRO A 16 4.934 2.434 -10.934 1.00 0.00 C ATOM 190 C PRO A 16 6.293 2.124 -10.314 1.00 0.00 C ATOM 191 O PRO A 16 6.874 1.069 -10.564 1.00 0.00 O ATOM 192 CB PRO A 16 5.102 2.920 -12.375 1.00 0.00 C ATOM 193 CG PRO A 16 5.113 4.406 -12.274 1.00 0.00 C ATOM 194 CD PRO A 16 4.199 4.751 -11.131 1.00 0.00 C ATOM 0 HA PRO A 16 4.364 1.509 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.027 2.546 -12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.286 2.572 -13.008 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.122 4.777 -12.093 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.767 4.863 -13.201 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.535 5.644 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.183 4.947 -11.474 1.00 0.00 H new ATOM 202 N ALA A 17 6.793 3.052 -9.504 1.00 0.00 N ATOM 203 CA ALA A 17 8.082 2.877 -8.847 1.00 0.00 C ATOM 204 C ALA A 17 8.313 3.956 -7.795 1.00 0.00 C ATOM 205 O ALA A 17 8.064 5.137 -8.038 1.00 0.00 O ATOM 206 CB ALA A 17 9.205 2.889 -9.874 1.00 0.00 C ATOM 0 H ALA A 17 6.325 3.932 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 17 8.076 1.910 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.162 2.757 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.056 2.077 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.203 3.841 -10.404 1.00 0.00 H new ATOM 212 N TYR A 18 8.791 3.543 -6.626 1.00 0.00 N ATOM 213 CA TYR A 18 9.052 4.475 -5.535 1.00 0.00 C ATOM 214 C TYR A 18 10.549 4.583 -5.258 1.00 0.00 C ATOM 215 O TYR A 18 11.330 3.725 -5.668 1.00 0.00 O ATOM 216 CB TYR A 18 8.319 4.030 -4.269 1.00 0.00 C ATOM 217 CG TYR A 18 6.864 4.441 -4.236 1.00 0.00 C ATOM 218 CD1 TYR A 18 5.918 3.783 -5.012 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.435 5.486 -3.427 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.588 4.156 -4.986 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.107 5.865 -3.393 1.00 0.00 C ATOM 222 CZ TYR A 18 4.188 5.197 -4.174 1.00 0.00 C ATOM 223 OH TYR A 18 2.863 5.570 -4.144 1.00 0.00 O ATOM 0 H TYR A 18 9.005 2.570 -6.410 1.00 0.00 H new ATOM 0 HA TYR A 18 8.684 5.456 -5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.384 2.945 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.826 4.448 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.228 2.966 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.152 6.011 -2.814 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.866 3.636 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.791 6.680 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 18 2.748 6.318 -3.521 1.00 0.00 H new ATOM 233 N GLN A 19 10.939 5.644 -4.559 1.00 0.00 N ATOM 234 CA GLN A 19 12.341 5.865 -4.227 1.00 0.00 C ATOM 235 C GLN A 19 12.476 6.635 -2.917 1.00 0.00 C ATOM 236 O GLN A 19 11.983 7.757 -2.791 1.00 0.00 O ATOM 237 CB GLN A 19 13.041 6.627 -5.354 1.00 0.00 C ATOM 238 CG GLN A 19 13.000 5.906 -6.692 1.00 0.00 C ATOM 239 CD GLN A 19 13.359 6.811 -7.853 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.368 7.517 -7.817 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.534 6.796 -8.894 1.00 0.00 N ATOM 0 H GLN A 19 10.304 6.363 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 19 12.816 4.892 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.575 7.606 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.081 6.798 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.690 5.062 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.002 5.497 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.709 6.196 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.725 7.384 -9.705 1.00 0.00 H new ATOM 250 N VAL A 20 13.145 6.026 -1.944 1.00 0.00 N ATOM 251 CA VAL A 20 13.344 6.655 -0.643 1.00 0.00 C ATOM 252 C VAL A 20 14.776 6.465 -0.155 1.00 0.00 C ATOM 253 O VAL A 20 15.533 5.670 -0.713 1.00 0.00 O ATOM 254 CB VAL A 20 12.375 6.085 0.410 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.753 4.656 0.766 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.360 6.966 1.650 1.00 0.00 C ATOM 0 H VAL A 20 13.559 5.098 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 20 13.144 7.719 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 20 11.371 6.074 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.057 4.270 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.708 4.034 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.765 4.637 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.670 6.549 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.362 7.010 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.037 7.971 1.378 1.00 0.00 H new ATOM 266 N ASP A 21 15.142 7.201 0.889 1.00 0.00 N ATOM 267 CA ASP A 21 16.483 7.113 1.454 1.00 0.00 C ATOM 268 C ASP A 21 16.570 5.982 2.474 1.00 0.00 C ATOM 269 O ASP A 21 15.623 5.728 3.218 1.00 0.00 O ATOM 270 CB ASP A 21 16.871 8.439 2.110 1.00 0.00 C ATOM 271 CG ASP A 21 17.330 9.472 1.101 1.00 0.00 C ATOM 272 OD1 ASP A 21 18.421 9.290 0.520 1.00 0.00 O ATOM 273 OD2 ASP A 21 16.599 10.462 0.891 1.00 0.00 O ATOM 0 H ASP A 21 14.528 7.865 1.361 1.00 0.00 H new ATOM 0 HA ASP A 21 17.179 6.900 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.018 8.830 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.667 8.264 2.834 1.00 0.00 H new ATOM 278 N LYS A 22 17.713 5.304 2.501 1.00 0.00 N ATOM 279 CA LYS A 22 17.926 4.199 3.429 1.00 0.00 C ATOM 280 C LYS A 22 17.383 4.539 4.814 1.00 0.00 C ATOM 281 O LYS A 22 17.245 5.710 5.166 1.00 0.00 O ATOM 282 CB LYS A 22 19.416 3.864 3.522 1.00 0.00 C ATOM 283 CG LYS A 22 19.726 2.733 4.487 1.00 0.00 C ATOM 284 CD LYS A 22 19.986 3.253 5.891 1.00 0.00 C ATOM 285 CE LYS A 22 21.398 3.802 6.030 1.00 0.00 C ATOM 286 NZ LYS A 22 21.696 4.218 7.428 1.00 0.00 N ATOM 0 H LYS A 22 18.506 5.501 1.891 1.00 0.00 H new ATOM 0 HA LYS A 22 17.388 3.330 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.782 3.595 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.961 4.755 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.892 2.031 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.598 2.182 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.265 4.035 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.834 2.449 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.115 3.043 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.523 4.655 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.667 4.586 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 21.028 4.960 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.601 3.399 8.062 1.00 0.00 H new ATOM 300 N GLY A 23 17.078 3.508 5.595 1.00 0.00 N ATOM 301 CA GLY A 23 16.556 3.719 6.932 1.00 0.00 C ATOM 302 C GLY A 23 15.606 4.898 7.004 1.00 0.00 C ATOM 303 O GLY A 23 15.501 5.557 8.038 1.00 0.00 O ATOM 0 H GLY A 23 17.183 2.530 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.038 2.819 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.385 3.882 7.621 1.00 0.00 H new ATOM 307 N GLY A 24 14.913 5.166 5.902 1.00 0.00 N ATOM 308 CA GLY A 24 13.978 6.276 5.865 1.00 0.00 C ATOM 309 C GLY A 24 12.540 5.828 6.038 1.00 0.00 C ATOM 310 O GLY A 24 12.267 4.853 6.739 1.00 0.00 O ATOM 0 H GLY A 24 14.982 4.635 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.231 6.987 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.080 6.802 4.916 1.00 0.00 H new ATOM 314 N ARG A 25 11.619 6.542 5.401 1.00 0.00 N ATOM 315 CA ARG A 25 10.201 6.215 5.490 1.00 0.00 C ATOM 316 C ARG A 25 9.501 6.460 4.157 1.00 0.00 C ATOM 317 O ARG A 25 9.539 7.567 3.618 1.00 0.00 O ATOM 318 CB ARG A 25 9.533 7.043 6.589 1.00 0.00 C ATOM 319 CG ARG A 25 8.155 6.535 6.982 1.00 0.00 C ATOM 320 CD ARG A 25 7.291 7.652 7.547 1.00 0.00 C ATOM 321 NE ARG A 25 7.668 7.997 8.915 1.00 0.00 N ATOM 322 CZ ARG A 25 6.881 8.669 9.747 1.00 0.00 C ATOM 323 NH1 ARG A 25 5.679 9.066 9.353 1.00 0.00 N ATOM 324 NH2 ARG A 25 7.296 8.945 10.977 1.00 0.00 N ATOM 0 H ARG A 25 11.829 7.351 4.817 1.00 0.00 H new ATOM 0 HA ARG A 25 10.113 5.157 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.175 7.047 7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.448 8.076 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.665 6.099 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.256 5.741 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.379 8.534 6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.245 7.347 7.525 1.00 0.00 H new ATOM 0 HE ARG A 25 8.586 7.706 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.357 8.855 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.077 9.582 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.220 8.641 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.691 9.461 11.616 1.00 0.00 H new ATOM 338 N VAL A 26 8.862 5.421 3.630 1.00 0.00 N ATOM 339 CA VAL A 26 8.152 5.523 2.360 1.00 0.00 C ATOM 340 C VAL A 26 6.671 5.811 2.579 1.00 0.00 C ATOM 341 O VAL A 26 6.118 5.500 3.634 1.00 0.00 O ATOM 342 CB VAL A 26 8.296 4.233 1.531 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.703 4.116 0.965 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.949 3.017 2.375 1.00 0.00 C ATOM 0 H VAL A 26 8.821 4.498 4.063 1.00 0.00 H new ATOM 0 HA VAL A 26 8.602 6.350 1.812 1.00 0.00 H new ATOM 0 HB VAL A 26 7.597 4.278 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.786 3.199 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.910 4.973 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.423 4.093 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.056 2.114 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.621 2.965 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.920 3.099 2.726 1.00 0.00 H new ATOM 354 N ARG A 27 6.035 6.406 1.576 1.00 0.00 N ATOM 355 CA ARG A 27 4.617 6.736 1.659 1.00 0.00 C ATOM 356 C ARG A 27 3.833 6.055 0.542 1.00 0.00 C ATOM 357 O ARG A 27 4.079 6.297 -0.640 1.00 0.00 O ATOM 358 CB ARG A 27 4.420 8.252 1.585 1.00 0.00 C ATOM 359 CG ARG A 27 2.960 8.674 1.540 1.00 0.00 C ATOM 360 CD ARG A 27 2.811 10.114 1.075 1.00 0.00 C ATOM 361 NE ARG A 27 3.077 11.066 2.150 1.00 0.00 N ATOM 362 CZ ARG A 27 2.172 11.425 3.054 1.00 0.00 C ATOM 363 NH1 ARG A 27 0.949 10.913 3.013 1.00 0.00 N ATOM 364 NH2 ARG A 27 2.489 12.297 4.003 1.00 0.00 N ATOM 0 H ARG A 27 6.479 6.670 0.696 1.00 0.00 H new ATOM 0 HA ARG A 27 4.241 6.373 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.897 8.715 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.927 8.633 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.410 8.015 0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.517 8.562 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.496 10.301 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.802 10.270 0.694 1.00 0.00 H new ATOM 0 HE ARG A 27 4.008 11.478 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.701 10.242 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.256 11.191 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.429 12.693 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.793 12.572 4.696 1.00 0.00 H new ATOM 378 N PHE A 28 2.890 5.200 0.924 1.00 0.00 N ATOM 379 CA PHE A 28 2.071 4.482 -0.046 1.00 0.00 C ATOM 380 C PHE A 28 0.595 4.827 0.128 1.00 0.00 C ATOM 381 O PHE A 28 -0.043 4.407 1.093 1.00 0.00 O ATOM 382 CB PHE A 28 2.275 2.973 0.102 1.00 0.00 C ATOM 383 CG PHE A 28 3.632 2.505 -0.340 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.044 2.672 -1.652 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.495 1.896 0.557 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.292 2.243 -2.062 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.745 1.466 0.153 1.00 0.00 C ATOM 388 CZ PHE A 28 6.143 1.638 -1.158 1.00 0.00 C ATOM 0 H PHE A 28 2.674 4.987 1.898 1.00 0.00 H new ATOM 0 HA PHE A 28 2.382 4.788 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.126 2.695 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.513 2.453 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.382 3.143 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.188 1.756 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.601 2.381 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.410 0.996 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.118 1.300 -1.476 1.00 0.00 H new ATOM 398 N VAL A 29 0.058 5.595 -0.815 1.00 0.00 N ATOM 399 CA VAL A 29 -1.342 5.997 -0.768 1.00 0.00 C ATOM 400 C VAL A 29 -2.144 5.327 -1.878 1.00 0.00 C ATOM 401 O VAL A 29 -1.690 5.238 -3.019 1.00 0.00 O ATOM 402 CB VAL A 29 -1.493 7.525 -0.891 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.962 7.916 -0.936 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.781 8.225 0.257 1.00 0.00 C ATOM 0 H VAL A 29 0.572 5.951 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.730 5.678 0.200 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.029 7.844 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.048 8.999 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.438 7.444 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.455 7.585 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.898 9.304 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.213 7.902 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.279 7.971 0.236 1.00 0.00 H new ATOM 414 N VAL A 30 -3.339 4.857 -1.536 1.00 0.00 N ATOM 415 CA VAL A 30 -4.206 4.196 -2.505 1.00 0.00 C ATOM 416 C VAL A 30 -5.642 4.696 -2.389 1.00 0.00 C ATOM 417 O VAL A 30 -6.234 4.667 -1.311 1.00 0.00 O ATOM 418 CB VAL A 30 -4.191 2.667 -2.320 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.794 2.114 -2.561 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.689 2.293 -0.932 1.00 0.00 C ATOM 0 H VAL A 30 -3.729 4.921 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.818 4.439 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.864 2.223 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.803 1.032 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.480 2.350 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.098 2.563 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.672 1.209 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.044 2.747 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.709 2.655 -0.802 1.00 0.00 H new ATOM 430 N GLU A 31 -6.195 5.154 -3.508 1.00 0.00 N ATOM 431 CA GLU A 31 -7.562 5.662 -3.531 1.00 0.00 C ATOM 432 C GLU A 31 -8.531 4.591 -4.022 1.00 0.00 C ATOM 433 O GLU A 31 -8.207 3.805 -4.913 1.00 0.00 O ATOM 434 CB GLU A 31 -7.655 6.899 -4.426 1.00 0.00 C ATOM 435 CG GLU A 31 -8.698 7.904 -3.968 1.00 0.00 C ATOM 436 CD GLU A 31 -8.134 8.937 -3.012 1.00 0.00 C ATOM 437 OE1 GLU A 31 -6.970 9.349 -3.205 1.00 0.00 O ATOM 438 OE2 GLU A 31 -8.854 9.332 -2.072 1.00 0.00 O ATOM 0 H GLU A 31 -5.718 5.184 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.838 5.938 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.681 7.388 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.888 6.584 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.116 8.410 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.518 7.375 -3.483 1.00 0.00 H new ATOM 445 N LEU A 32 -9.722 4.565 -3.435 1.00 0.00 N ATOM 446 CA LEU A 32 -10.741 3.591 -3.811 1.00 0.00 C ATOM 447 C LEU A 32 -11.982 4.285 -4.362 1.00 0.00 C ATOM 448 O LEU A 32 -12.496 5.227 -3.761 1.00 0.00 O ATOM 449 CB LEU A 32 -11.118 2.727 -2.606 1.00 0.00 C ATOM 450 CG LEU A 32 -9.953 2.138 -1.811 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.335 1.970 -0.349 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.519 0.806 -2.407 1.00 0.00 C ATOM 0 H LEU A 32 -10.006 5.208 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.328 2.953 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.726 3.328 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.745 1.907 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.113 2.830 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.493 1.549 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.596 2.941 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.191 1.299 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.689 0.402 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.354 0.106 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.203 0.955 -3.439 1.00 0.00 H new ATOM 464 N ALA A 33 -12.458 3.811 -5.509 1.00 0.00 N ATOM 465 CA ALA A 33 -13.641 4.384 -6.139 1.00 0.00 C ATOM 466 C ALA A 33 -14.891 4.113 -5.308 1.00 0.00 C ATOM 467 O ALA A 33 -15.913 4.780 -5.471 1.00 0.00 O ATOM 468 CB ALA A 33 -13.810 3.830 -7.546 1.00 0.00 C ATOM 0 H ALA A 33 -12.043 3.032 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.504 5.464 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.697 4.266 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.933 4.079 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.921 2.747 -7.500 1.00 0.00 H new ATOM 474 N ASP A 34 -14.803 3.130 -4.419 1.00 0.00 N ATOM 475 CA ASP A 34 -15.927 2.771 -3.562 1.00 0.00 C ATOM 476 C ASP A 34 -15.450 2.432 -2.154 1.00 0.00 C ATOM 477 O ASP A 34 -14.557 1.607 -1.956 1.00 0.00 O ATOM 478 CB ASP A 34 -16.690 1.586 -4.155 1.00 0.00 C ATOM 479 CG ASP A 34 -15.798 0.676 -4.976 1.00 0.00 C ATOM 480 OD1 ASP A 34 -14.576 0.657 -4.722 1.00 0.00 O ATOM 481 OD2 ASP A 34 -16.322 -0.017 -5.874 1.00 0.00 O ATOM 0 H ASP A 34 -13.965 2.567 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.595 3.630 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.147 1.012 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.501 1.957 -4.782 1.00 0.00 H new ATOM 486 N PRO A 35 -16.058 3.082 -1.150 1.00 0.00 N ATOM 487 CA PRO A 35 -15.711 2.866 0.258 1.00 0.00 C ATOM 488 C PRO A 35 -16.142 1.491 0.757 1.00 0.00 C ATOM 489 O PRO A 35 -15.593 0.970 1.727 1.00 0.00 O ATOM 490 CB PRO A 35 -16.485 3.966 0.987 1.00 0.00 C ATOM 491 CG PRO A 35 -17.633 4.280 0.091 1.00 0.00 C ATOM 492 CD PRO A 35 -17.130 4.078 -1.312 1.00 0.00 C ATOM 0 HA PRO A 35 -14.634 2.903 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.827 3.627 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.862 4.844 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.481 3.627 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.975 5.304 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.918 3.717 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.754 5.007 -1.742 1.00 0.00 H new ATOM 500 N LYS A 36 -17.130 0.907 0.087 1.00 0.00 N ATOM 501 CA LYS A 36 -17.636 -0.409 0.460 1.00 0.00 C ATOM 502 C LYS A 36 -16.529 -1.457 0.390 1.00 0.00 C ATOM 503 O LYS A 36 -16.401 -2.299 1.279 1.00 0.00 O ATOM 504 CB LYS A 36 -18.793 -0.812 -0.456 1.00 0.00 C ATOM 505 CG LYS A 36 -20.007 0.093 -0.337 1.00 0.00 C ATOM 506 CD LYS A 36 -20.831 -0.238 0.896 1.00 0.00 C ATOM 507 CE LYS A 36 -21.874 -1.304 0.600 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.255 -2.063 1.823 1.00 0.00 N ATOM 0 H LYS A 36 -17.597 1.325 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.997 -0.354 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.446 -0.806 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.089 -1.835 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.684 1.133 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.627 -0.009 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.172 -0.583 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.324 0.664 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.761 -0.836 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.485 -1.994 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.968 -2.780 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.414 -2.531 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.650 -1.409 2.529 1.00 0.00 H new ATOM 522 N LEU A 37 -15.732 -1.398 -0.671 1.00 0.00 N ATOM 523 CA LEU A 37 -14.634 -2.341 -0.856 1.00 0.00 C ATOM 524 C LEU A 37 -13.559 -2.141 0.207 1.00 0.00 C ATOM 525 O LEU A 37 -13.267 -1.014 0.603 1.00 0.00 O ATOM 526 CB LEU A 37 -14.026 -2.179 -2.250 1.00 0.00 C ATOM 527 CG LEU A 37 -14.972 -2.419 -3.427 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.245 -2.211 -4.747 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.565 -3.819 -3.358 1.00 0.00 C ATOM 0 H LEU A 37 -15.825 -0.708 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.034 -3.350 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.623 -1.170 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.185 -2.866 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.787 -1.697 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.934 -2.386 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.869 -1.189 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.410 -2.909 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.236 -3.972 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.763 -4.556 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.122 -3.933 -2.428 1.00 0.00 H new ATOM 541 N GLU A 38 -12.972 -3.244 0.663 1.00 0.00 N ATOM 542 CA GLU A 38 -11.928 -3.189 1.679 1.00 0.00 C ATOM 543 C GLU A 38 -10.544 -3.192 1.037 1.00 0.00 C ATOM 544 O GLU A 38 -10.405 -3.413 -0.166 1.00 0.00 O ATOM 545 CB GLU A 38 -12.059 -4.371 2.642 1.00 0.00 C ATOM 546 CG GLU A 38 -11.298 -4.183 3.943 1.00 0.00 C ATOM 547 CD GLU A 38 -11.305 -2.744 4.421 1.00 0.00 C ATOM 548 OE1 GLU A 38 -12.403 -2.158 4.521 1.00 0.00 O ATOM 549 OE2 GLU A 38 -10.212 -2.203 4.693 1.00 0.00 O ATOM 0 H GLU A 38 -13.202 -4.185 0.345 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.048 -2.261 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.114 -4.530 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.699 -5.273 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.737 -4.819 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.268 -4.512 3.808 1.00 0.00 H new ATOM 556 N VAL A 39 -9.521 -2.944 1.850 1.00 0.00 N ATOM 557 CA VAL A 39 -8.147 -2.919 1.363 1.00 0.00 C ATOM 558 C VAL A 39 -7.264 -3.872 2.160 1.00 0.00 C ATOM 559 O VAL A 39 -7.521 -4.140 3.334 1.00 0.00 O ATOM 560 CB VAL A 39 -7.551 -1.501 1.437 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.263 -0.571 0.466 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.630 -0.964 2.858 1.00 0.00 C ATOM 0 H VAL A 39 -9.618 -2.758 2.848 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.175 -3.239 0.322 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.501 -1.551 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.828 0.426 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.149 -0.949 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.322 -0.523 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.204 0.039 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.672 -0.927 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.070 -1.619 3.526 1.00 0.00 H new ATOM 572 N LYS A 40 -6.220 -4.382 1.515 1.00 0.00 N ATOM 573 CA LYS A 40 -5.295 -5.304 2.164 1.00 0.00 C ATOM 574 C LYS A 40 -3.884 -5.140 1.608 1.00 0.00 C ATOM 575 O LYS A 40 -3.665 -5.248 0.402 1.00 0.00 O ATOM 576 CB LYS A 40 -5.765 -6.748 1.972 1.00 0.00 C ATOM 577 CG LYS A 40 -7.132 -7.027 2.573 1.00 0.00 C ATOM 578 CD LYS A 40 -7.085 -7.026 4.092 1.00 0.00 C ATOM 579 CE LYS A 40 -8.482 -7.027 4.693 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.503 -7.651 6.045 1.00 0.00 N ATOM 0 H LYS A 40 -5.993 -4.172 0.543 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.276 -5.072 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.793 -6.974 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.035 -7.422 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.842 -6.274 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.495 -7.992 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.537 -7.901 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.539 -6.149 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.849 -6.003 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.161 -7.567 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.473 -7.633 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.176 -8.636 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.875 -7.121 6.682 1.00 0.00 H new ATOM 594 N TRP A 41 -2.931 -4.880 2.496 1.00 0.00 N ATOM 595 CA TRP A 41 -1.540 -4.703 2.094 1.00 0.00 C ATOM 596 C TRP A 41 -0.751 -5.995 2.278 1.00 0.00 C ATOM 597 O TRP A 41 -0.867 -6.663 3.306 1.00 0.00 O ATOM 598 CB TRP A 41 -0.894 -3.577 2.901 1.00 0.00 C ATOM 599 CG TRP A 41 -1.570 -2.252 2.719 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.772 -1.866 3.242 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.085 -1.139 1.960 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.063 -0.581 2.853 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.043 -0.112 2.068 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.067 -0.909 1.203 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.884 1.123 1.444 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.224 0.317 0.585 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.747 1.321 0.709 1.00 0.00 C ATOM 0 H TRP A 41 -3.096 -4.787 3.498 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.524 -4.438 1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.909 -3.842 3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.153 -3.486 2.610 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.401 -2.481 3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.902 -0.060 3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.821 -1.676 1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.632 1.897 1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.110 0.505 -0.004 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.594 2.269 0.215 1.00 0.00 H new ATOM 618 N TYR A 42 0.051 -6.341 1.278 1.00 0.00 N ATOM 619 CA TYR A 42 0.858 -7.555 1.329 1.00 0.00 C ATOM 620 C TYR A 42 2.292 -7.274 0.892 1.00 0.00 C ATOM 621 O TYR A 42 2.555 -6.325 0.153 1.00 0.00 O ATOM 622 CB TYR A 42 0.244 -8.638 0.441 1.00 0.00 C ATOM 623 CG TYR A 42 -1.117 -9.104 0.908 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.276 -8.481 0.463 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.243 -10.169 1.792 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.522 -8.903 0.888 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.484 -10.599 2.220 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.620 -9.962 1.765 1.00 0.00 C ATOM 629 OH TYR A 42 -4.859 -10.387 2.189 1.00 0.00 O ATOM 0 H TYR A 42 0.160 -5.798 0.421 1.00 0.00 H new ATOM 0 HA TYR A 42 0.875 -7.907 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.159 -8.257 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.919 -9.493 0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.203 -7.653 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.355 -10.669 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.413 -8.406 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.564 -11.429 2.907 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.753 -11.143 2.803 1.00 0.00 H new ATOM 639 N LYS A 43 3.218 -8.109 1.352 1.00 0.00 N ATOM 640 CA LYS A 43 4.626 -7.955 1.009 1.00 0.00 C ATOM 641 C LYS A 43 5.229 -9.287 0.575 1.00 0.00 C ATOM 642 O LYS A 43 5.596 -10.114 1.409 1.00 0.00 O ATOM 643 CB LYS A 43 5.405 -7.395 2.201 1.00 0.00 C ATOM 644 CG LYS A 43 6.903 -7.308 1.963 1.00 0.00 C ATOM 645 CD LYS A 43 7.659 -7.043 3.254 1.00 0.00 C ATOM 646 CE LYS A 43 9.085 -6.589 2.982 1.00 0.00 C ATOM 647 NZ LYS A 43 9.760 -6.111 4.220 1.00 0.00 N ATOM 0 H LYS A 43 3.018 -8.900 1.964 1.00 0.00 H new ATOM 0 HA LYS A 43 4.696 -7.255 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.025 -6.401 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.220 -8.023 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.256 -8.238 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.113 -6.513 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.137 -6.280 3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.674 -7.948 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.654 -7.415 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.077 -5.790 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.791 -6.149 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.471 -5.131 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.489 -6.719 5.020 1.00 0.00 H new ATOM 661 N ASN A 44 5.329 -9.488 -0.735 1.00 0.00 N ATOM 662 CA ASN A 44 5.889 -10.720 -1.279 1.00 0.00 C ATOM 663 C ASN A 44 5.050 -11.926 -0.869 1.00 0.00 C ATOM 664 O ASN A 44 5.585 -12.967 -0.491 1.00 0.00 O ATOM 665 CB ASN A 44 7.332 -10.902 -0.804 1.00 0.00 C ATOM 666 CG ASN A 44 8.308 -10.031 -1.571 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.923 -9.027 -2.170 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.580 -10.413 -1.556 1.00 0.00 N ATOM 0 H ASN A 44 5.030 -8.814 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 44 5.879 -10.646 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.395 -10.665 0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.619 -11.948 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.282 -9.867 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.854 -11.253 -1.046 1.00 0.00 H new ATOM 675 N GLY A 45 3.731 -11.777 -0.947 1.00 0.00 N ATOM 676 CA GLY A 45 2.839 -12.862 -0.581 1.00 0.00 C ATOM 677 C GLY A 45 2.739 -13.049 0.920 1.00 0.00 C ATOM 678 O GLY A 45 2.558 -14.167 1.400 1.00 0.00 O ATOM 0 H GLY A 45 3.264 -10.925 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.847 -12.665 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.191 -13.787 -1.037 1.00 0.00 H new ATOM 682 N GLN A 46 2.860 -11.952 1.661 1.00 0.00 N ATOM 683 CA GLN A 46 2.784 -12.003 3.116 1.00 0.00 C ATOM 684 C GLN A 46 1.943 -10.851 3.658 1.00 0.00 C ATOM 685 O GLN A 46 2.259 -9.683 3.436 1.00 0.00 O ATOM 686 CB GLN A 46 4.188 -11.953 3.723 1.00 0.00 C ATOM 687 CG GLN A 46 4.828 -13.322 3.887 1.00 0.00 C ATOM 688 CD GLN A 46 5.977 -13.315 4.876 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.451 -12.255 5.286 1.00 0.00 O ATOM 690 NE2 GLN A 46 6.431 -14.500 5.265 1.00 0.00 N ATOM 0 H GLN A 46 3.011 -11.019 1.278 1.00 0.00 H new ATOM 0 HA GLN A 46 2.307 -12.942 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.826 -11.336 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.137 -11.466 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.073 -14.034 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.189 -13.668 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.008 -15.353 4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.203 -14.557 5.930 1.00 0.00 H new ATOM 699 N GLU A 47 0.871 -11.191 4.367 1.00 0.00 N ATOM 700 CA GLU A 47 -0.015 -10.184 4.939 1.00 0.00 C ATOM 701 C GLU A 47 0.753 -9.243 5.862 1.00 0.00 C ATOM 702 O GLU A 47 1.573 -9.682 6.669 1.00 0.00 O ATOM 703 CB GLU A 47 -1.155 -10.855 5.710 1.00 0.00 C ATOM 704 CG GLU A 47 -2.074 -9.872 6.414 1.00 0.00 C ATOM 705 CD GLU A 47 -3.349 -10.522 6.915 1.00 0.00 C ATOM 706 OE1 GLU A 47 -4.235 -10.811 6.084 1.00 0.00 O ATOM 707 OE2 GLU A 47 -3.461 -10.742 8.139 1.00 0.00 O ATOM 0 H GLU A 47 0.596 -12.154 4.559 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.434 -9.599 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.743 -11.459 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.732 -11.536 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.545 -9.424 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.328 -9.063 5.729 1.00 0.00 H new ATOM 714 N ILE A 48 0.482 -7.949 5.736 1.00 0.00 N ATOM 715 CA ILE A 48 1.147 -6.946 6.559 1.00 0.00 C ATOM 716 C ILE A 48 0.281 -6.550 7.751 1.00 0.00 C ATOM 717 O ILE A 48 -0.922 -6.331 7.611 1.00 0.00 O ATOM 718 CB ILE A 48 1.486 -5.684 5.744 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.341 -6.049 4.529 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.204 -4.666 6.618 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.358 -4.981 3.459 1.00 0.00 C ATOM 0 H ILE A 48 -0.193 -7.570 5.072 1.00 0.00 H new ATOM 0 HA ILE A 48 2.072 -7.396 6.919 1.00 0.00 H new ATOM 0 HB ILE A 48 0.557 -5.238 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.363 -6.239 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.967 -6.978 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.437 -3.780 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.562 -4.387 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.128 -5.101 6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.984 -5.308 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.343 -4.807 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.760 -4.057 3.874 1.00 0.00 H new ATOM 733 N ARG A 49 0.902 -6.460 8.922 1.00 0.00 N ATOM 734 CA ARG A 49 0.189 -6.090 10.139 1.00 0.00 C ATOM 735 C ARG A 49 0.612 -4.705 10.617 1.00 0.00 C ATOM 736 O ARG A 49 1.757 -4.285 10.447 1.00 0.00 O ATOM 737 CB ARG A 49 0.445 -7.122 11.239 1.00 0.00 C ATOM 738 CG ARG A 49 1.910 -7.248 11.625 1.00 0.00 C ATOM 739 CD ARG A 49 2.181 -8.551 12.362 1.00 0.00 C ATOM 740 NE ARG A 49 1.913 -8.436 13.793 1.00 0.00 N ATOM 741 CZ ARG A 49 2.453 -9.233 14.709 1.00 0.00 C ATOM 742 NH1 ARG A 49 3.286 -10.197 14.344 1.00 0.00 N ATOM 743 NH2 ARG A 49 2.160 -9.065 15.992 1.00 0.00 N ATOM 0 H ARG A 49 1.898 -6.638 9.054 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.877 -6.067 9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.133 -6.850 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.081 -8.094 10.906 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.529 -7.200 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.195 -6.406 12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.561 -9.342 11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.220 -8.844 12.210 1.00 0.00 H new ATOM 0 HE ARG A 49 1.276 -7.704 14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.514 -10.328 13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.699 -10.808 15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.520 -8.324 16.276 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.575 -9.677 16.694 1.00 0.00 H new ATOM 757 N PRO A 50 -0.333 -3.976 11.229 1.00 0.00 N ATOM 758 CA PRO A 50 -0.082 -2.627 11.744 1.00 0.00 C ATOM 759 C PRO A 50 0.839 -2.632 12.959 1.00 0.00 C ATOM 760 O PRO A 50 0.518 -3.221 13.991 1.00 0.00 O ATOM 761 CB PRO A 50 -1.477 -2.130 12.134 1.00 0.00 C ATOM 762 CG PRO A 50 -2.258 -3.370 12.406 1.00 0.00 C ATOM 763 CD PRO A 50 -1.719 -4.413 11.466 1.00 0.00 C ATOM 0 HA PRO A 50 0.420 -1.998 11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.437 -1.487 13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.928 -1.546 11.332 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.144 -3.683 13.444 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.322 -3.206 12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.756 -5.409 11.907 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.292 -4.453 10.539 1.00 0.00 H new ATOM 771 N SER A 51 1.986 -1.972 12.830 1.00 0.00 N ATOM 772 CA SER A 51 2.956 -1.904 13.916 1.00 0.00 C ATOM 773 C SER A 51 3.720 -0.584 13.881 1.00 0.00 C ATOM 774 O SER A 51 3.427 0.295 13.070 1.00 0.00 O ATOM 775 CB SER A 51 3.935 -3.076 13.828 1.00 0.00 C ATOM 776 OG SER A 51 4.463 -3.202 12.520 1.00 0.00 O ATOM 0 H SER A 51 2.266 -1.477 11.983 1.00 0.00 H new ATOM 0 HA SER A 51 2.413 -1.964 14.859 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.748 -2.929 14.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.428 -3.999 14.109 1.00 0.00 H new ATOM 0 HG SER A 51 5.087 -3.957 12.490 1.00 0.00 H new ATOM 782 N THR A 52 4.703 -0.452 14.766 1.00 0.00 N ATOM 783 CA THR A 52 5.509 0.759 14.838 1.00 0.00 C ATOM 784 C THR A 52 6.168 1.062 13.497 1.00 0.00 C ATOM 785 O THR A 52 6.561 2.197 13.229 1.00 0.00 O ATOM 786 CB THR A 52 6.601 0.644 15.919 1.00 0.00 C ATOM 787 OG1 THR A 52 7.512 1.744 15.814 1.00 0.00 O ATOM 788 CG2 THR A 52 7.362 -0.666 15.782 1.00 0.00 C ATOM 0 H THR A 52 4.960 -1.170 15.443 1.00 0.00 H new ATOM 0 HA THR A 52 4.833 1.573 15.100 1.00 0.00 H new ATOM 0 HB THR A 52 6.118 0.665 16.896 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.202 1.664 16.505 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.128 -0.725 16.556 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.671 -1.502 15.891 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.834 -0.712 14.800 1.00 0.00 H new ATOM 796 N LYS A 53 6.284 0.040 12.656 1.00 0.00 N ATOM 797 CA LYS A 53 6.893 0.196 11.341 1.00 0.00 C ATOM 798 C LYS A 53 5.841 0.538 10.291 1.00 0.00 C ATOM 799 O LYS A 53 6.074 1.367 9.411 1.00 0.00 O ATOM 800 CB LYS A 53 7.629 -1.085 10.942 1.00 0.00 C ATOM 801 CG LYS A 53 8.328 -0.991 9.597 1.00 0.00 C ATOM 802 CD LYS A 53 8.528 -2.363 8.975 1.00 0.00 C ATOM 803 CE LYS A 53 9.501 -2.308 7.806 1.00 0.00 C ATOM 804 NZ LYS A 53 10.047 -3.654 7.476 1.00 0.00 N ATOM 0 H LYS A 53 5.964 -0.906 12.862 1.00 0.00 H new ATOM 0 HA LYS A 53 7.608 1.017 11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.366 -1.325 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.917 -1.910 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.740 -0.367 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.294 -0.503 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.903 -3.055 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.569 -2.752 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.996 -1.896 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.321 -1.632 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.991 -3.551 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.117 -4.223 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.415 -4.129 6.801 1.00 0.00 H new ATOM 818 N TYR A 54 4.682 -0.103 10.391 1.00 0.00 N ATOM 819 CA TYR A 54 3.594 0.133 9.449 1.00 0.00 C ATOM 820 C TYR A 54 2.523 1.028 10.067 1.00 0.00 C ATOM 821 O TYR A 54 1.932 0.690 11.093 1.00 0.00 O ATOM 822 CB TYR A 54 2.974 -1.194 9.010 1.00 0.00 C ATOM 823 CG TYR A 54 3.938 -2.101 8.280 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.338 -1.818 6.979 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.448 -3.241 8.888 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.219 -2.643 6.307 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.330 -4.071 8.224 1.00 0.00 C ATOM 828 CZ TYR A 54 5.712 -3.768 6.934 1.00 0.00 C ATOM 829 OH TYR A 54 6.589 -4.594 6.269 1.00 0.00 O ATOM 0 H TYR A 54 4.471 -0.790 11.115 1.00 0.00 H new ATOM 0 HA TYR A 54 4.007 0.640 8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.592 -1.715 9.888 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.120 -0.990 8.364 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.953 -0.938 6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.150 -3.483 9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.520 -2.408 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.718 -4.952 8.712 1.00 0.00 H new ATOM 0 HH TYR A 54 6.841 -5.340 6.852 1.00 0.00 H new ATOM 839 N ILE A 55 2.280 2.171 9.434 1.00 0.00 N ATOM 840 CA ILE A 55 1.280 3.114 9.920 1.00 0.00 C ATOM 841 C ILE A 55 0.078 3.172 8.983 1.00 0.00 C ATOM 842 O ILE A 55 0.180 3.654 7.854 1.00 0.00 O ATOM 843 CB ILE A 55 1.867 4.529 10.071 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.331 4.453 10.511 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.050 5.338 11.067 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.517 3.855 11.887 1.00 0.00 C ATOM 0 H ILE A 55 2.761 2.466 8.584 1.00 0.00 H new ATOM 0 HA ILE A 55 0.959 2.757 10.898 1.00 0.00 H new ATOM 0 HB ILE A 55 1.823 5.030 9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.889 3.859 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.758 5.456 10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.478 6.336 11.163 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.021 5.416 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.065 4.842 12.038 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.579 3.832 12.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.987 4.461 12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.120 2.840 11.899 1.00 0.00 H new ATOM 858 N PHE A 56 -1.061 2.678 9.458 1.00 0.00 N ATOM 859 CA PHE A 56 -2.283 2.674 8.664 1.00 0.00 C ATOM 860 C PHE A 56 -3.136 3.902 8.971 1.00 0.00 C ATOM 861 O PHE A 56 -3.640 4.057 10.083 1.00 0.00 O ATOM 862 CB PHE A 56 -3.087 1.401 8.932 1.00 0.00 C ATOM 863 CG PHE A 56 -2.428 0.155 8.413 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.267 -0.325 8.997 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.970 -0.536 7.341 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.658 -1.472 8.522 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.366 -1.683 6.862 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.208 -2.151 7.452 1.00 0.00 C ATOM 0 H PHE A 56 -1.162 2.275 10.390 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.002 2.703 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.244 1.299 10.006 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.071 1.499 8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.832 0.203 9.833 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.874 -0.174 6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.246 -1.836 8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.799 -2.213 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.734 -3.046 7.078 1.00 0.00 H new ATOM 878 N GLU A 57 -3.291 4.771 7.978 1.00 0.00 N ATOM 879 CA GLU A 57 -4.081 5.986 8.143 1.00 0.00 C ATOM 880 C GLU A 57 -5.204 6.049 7.111 1.00 0.00 C ATOM 881 O GLU A 57 -4.978 5.848 5.918 1.00 0.00 O ATOM 882 CB GLU A 57 -3.188 7.222 8.016 1.00 0.00 C ATOM 883 CG GLU A 57 -2.112 7.308 9.086 1.00 0.00 C ATOM 884 CD GLU A 57 -1.302 8.587 8.998 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.273 9.196 7.908 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.698 8.979 10.018 1.00 0.00 O ATOM 0 H GLU A 57 -2.881 4.657 7.051 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.525 5.968 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.713 7.218 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.810 8.116 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.577 7.244 10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.444 6.452 8.993 1.00 0.00 H new ATOM 893 N HIS A 58 -6.415 6.328 7.581 1.00 0.00 N ATOM 894 CA HIS A 58 -7.575 6.418 6.701 1.00 0.00 C ATOM 895 C HIS A 58 -8.087 7.853 6.620 1.00 0.00 C ATOM 896 O HIS A 58 -8.421 8.462 7.636 1.00 0.00 O ATOM 897 CB HIS A 58 -8.689 5.494 7.194 1.00 0.00 C ATOM 898 CG HIS A 58 -9.906 5.504 6.321 1.00 0.00 C ATOM 899 ND1 HIS A 58 -11.152 5.110 6.762 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.064 5.864 5.026 1.00 0.00 C ATOM 901 CE1 HIS A 58 -12.023 5.227 5.776 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.388 5.683 4.711 1.00 0.00 N ATOM 0 H HIS A 58 -6.619 6.496 8.566 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.268 6.104 5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.305 4.476 7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.974 5.789 8.204 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -11.367 4.780 7.703 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.292 6.226 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.075 4.990 5.831 1.00 0.00 H new ATOM 911 N LYS A 59 -8.144 8.388 5.405 1.00 0.00 N ATOM 912 CA LYS A 59 -8.615 9.751 5.190 1.00 0.00 C ATOM 913 C LYS A 59 -9.585 9.812 4.014 1.00 0.00 C ATOM 914 O LYS A 59 -9.183 10.055 2.877 1.00 0.00 O ATOM 915 CB LYS A 59 -7.431 10.687 4.938 1.00 0.00 C ATOM 916 CG LYS A 59 -6.771 11.189 6.211 1.00 0.00 C ATOM 917 CD LYS A 59 -5.665 10.255 6.671 1.00 0.00 C ATOM 918 CE LYS A 59 -4.578 11.006 7.424 1.00 0.00 C ATOM 919 NZ LYS A 59 -4.923 11.186 8.862 1.00 0.00 N ATOM 0 H LYS A 59 -7.870 7.898 4.554 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.141 10.074 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.688 10.165 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.772 11.542 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.361 12.184 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.520 11.283 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.085 9.481 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.230 9.752 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.637 10.462 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.424 11.981 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.157 11.702 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.808 11.727 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.045 10.255 9.309 1.00 0.00 H new ATOM 933 N GLY A 60 -10.865 9.593 4.297 1.00 0.00 N ATOM 934 CA GLY A 60 -11.873 9.629 3.253 1.00 0.00 C ATOM 935 C GLY A 60 -11.470 8.827 2.031 1.00 0.00 C ATOM 936 O GLY A 60 -10.741 9.319 1.170 1.00 0.00 O ATOM 0 H GLY A 60 -11.222 9.391 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.813 9.240 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.053 10.664 2.962 1.00 0.00 H new ATOM 940 N CYS A 61 -11.944 7.589 1.956 1.00 0.00 N ATOM 941 CA CYS A 61 -11.628 6.715 0.832 1.00 0.00 C ATOM 942 C CYS A 61 -10.164 6.860 0.427 1.00 0.00 C ATOM 943 O CYS A 61 -9.849 7.005 -0.754 1.00 0.00 O ATOM 944 CB CYS A 61 -12.533 7.034 -0.359 1.00 0.00 C ATOM 945 SG CYS A 61 -14.287 7.160 0.060 1.00 0.00 S ATOM 0 H CYS A 61 -12.549 7.167 2.661 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.800 5.685 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.209 7.974 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.406 6.260 -1.116 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.970 7.434 -1.011 1.00 0.00 H new ATOM 951 N GLN A 62 -9.276 6.821 1.414 1.00 0.00 N ATOM 952 CA GLN A 62 -7.846 6.950 1.160 1.00 0.00 C ATOM 953 C GLN A 62 -7.035 6.229 2.232 1.00 0.00 C ATOM 954 O GLN A 62 -6.916 6.708 3.360 1.00 0.00 O ATOM 955 CB GLN A 62 -7.447 8.426 1.108 1.00 0.00 C ATOM 956 CG GLN A 62 -6.204 8.691 0.273 1.00 0.00 C ATOM 957 CD GLN A 62 -5.905 10.169 0.125 1.00 0.00 C ATOM 958 OE1 GLN A 62 -6.032 10.912 1.218 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 -5.565 10.640 -0.961 1.00 0.00 N flip ATOM 0 H GLN A 62 -9.521 6.701 2.397 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.631 6.489 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.277 9.004 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.276 8.784 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.349 8.196 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.334 8.250 -0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.480 10.033 -1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.369 11.637 -1.045 1.00 0.00 H new ATOM 968 N ARG A 63 -6.480 5.077 1.873 1.00 0.00 N ATOM 969 CA ARG A 63 -5.682 4.289 2.805 1.00 0.00 C ATOM 970 C ARG A 63 -4.191 4.515 2.569 1.00 0.00 C ATOM 971 O ARG A 63 -3.652 4.129 1.531 1.00 0.00 O ATOM 972 CB ARG A 63 -6.012 2.802 2.663 1.00 0.00 C ATOM 973 CG ARG A 63 -7.465 2.470 2.963 1.00 0.00 C ATOM 974 CD ARG A 63 -7.770 2.598 4.448 1.00 0.00 C ATOM 975 NE ARG A 63 -9.127 2.164 4.767 1.00 0.00 N ATOM 976 CZ ARG A 63 -9.517 1.805 5.985 1.00 0.00 C ATOM 977 NH1 ARG A 63 -8.656 1.829 6.993 1.00 0.00 N ATOM 978 NH2 ARG A 63 -10.769 1.421 6.196 1.00 0.00 N ATOM 0 H ARG A 63 -6.568 4.668 0.943 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.926 4.613 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.777 2.481 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.371 2.230 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.116 3.137 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.683 1.455 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.056 2.003 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.639 3.635 4.757 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.813 2.135 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.692 2.123 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.957 1.553 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.434 1.401 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.067 1.146 7.132 1.00 0.00 H new ATOM 992 N ILE A 64 -3.532 5.142 3.537 1.00 0.00 N ATOM 993 CA ILE A 64 -2.104 5.417 3.435 1.00 0.00 C ATOM 994 C ILE A 64 -1.295 4.452 4.294 1.00 0.00 C ATOM 995 O ILE A 64 -1.729 4.052 5.375 1.00 0.00 O ATOM 996 CB ILE A 64 -1.778 6.861 3.859 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.787 7.836 3.248 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.361 7.228 3.445 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.003 8.071 4.116 1.00 0.00 C ATOM 0 H ILE A 64 -3.964 5.469 4.401 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.831 5.283 2.388 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.847 6.929 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.292 8.790 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.110 7.452 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.146 8.252 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.345 6.550 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.266 7.146 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.674 8.772 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.521 7.126 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.691 8.484 5.075 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.116 4.081 3.807 1.00 0.00 N ATOM 1012 CA LEU A 65 0.757 3.163 4.531 1.00 0.00 C ATOM 1013 C LEU A 65 2.184 3.698 4.584 1.00 0.00 C ATOM 1014 O LEU A 65 2.766 4.049 3.558 1.00 0.00 O ATOM 1015 CB LEU A 65 0.741 1.785 3.869 1.00 0.00 C ATOM 1016 CG LEU A 65 1.481 0.674 4.614 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.975 0.958 4.650 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.932 0.520 6.025 1.00 0.00 C ATOM 0 H LEU A 65 0.258 4.402 2.914 1.00 0.00 H new ATOM 0 HA LEU A 65 0.384 3.073 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.297 1.479 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.174 1.878 2.873 1.00 0.00 H new ATOM 0 HG LEU A 65 1.323 -0.263 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.485 0.156 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.359 1.017 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.153 1.905 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.471 -0.275 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.059 1.456 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.128 0.269 5.978 1.00 0.00 H new ATOM 1030 N PHE A 66 2.744 3.755 5.788 1.00 0.00 N ATOM 1031 CA PHE A 66 4.105 4.245 5.976 1.00 0.00 C ATOM 1032 C PHE A 66 5.019 3.133 6.480 1.00 0.00 C ATOM 1033 O PHE A 66 4.682 2.419 7.425 1.00 0.00 O ATOM 1034 CB PHE A 66 4.116 5.416 6.961 1.00 0.00 C ATOM 1035 CG PHE A 66 3.537 6.681 6.396 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.280 7.475 5.536 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.250 7.077 6.723 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.750 8.640 5.015 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.715 8.241 6.205 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.465 9.023 5.349 1.00 0.00 C ATOM 0 H PHE A 66 2.277 3.468 6.648 1.00 0.00 H new ATOM 0 HA PHE A 66 4.478 4.587 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.555 5.136 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.142 5.605 7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.284 7.180 5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.658 6.469 7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.340 9.251 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.711 8.539 6.469 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.048 9.932 4.941 1.00 0.00 H new ATOM 1050 N ILE A 67 6.176 2.991 5.842 1.00 0.00 N ATOM 1051 CA ILE A 67 7.139 1.967 6.226 1.00 0.00 C ATOM 1052 C ILE A 67 8.467 2.589 6.643 1.00 0.00 C ATOM 1053 O ILE A 67 9.240 3.048 5.803 1.00 0.00 O ATOM 1054 CB ILE A 67 7.390 0.972 5.077 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.077 0.315 4.647 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.402 -0.083 5.501 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.228 -0.627 3.472 1.00 0.00 C ATOM 0 H ILE A 67 6.469 3.572 5.057 1.00 0.00 H new ATOM 0 HA ILE A 67 6.710 1.432 7.073 1.00 0.00 H new ATOM 0 HB ILE A 67 7.798 1.518 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.662 -0.235 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.359 1.093 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.569 -0.779 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.343 0.400 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.020 -0.627 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.257 -1.056 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.614 -0.078 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.922 -1.426 3.733 1.00 0.00 H new ATOM 1069 N ASN A 68 8.726 2.599 7.947 1.00 0.00 N ATOM 1070 CA ASN A 68 9.962 3.164 8.476 1.00 0.00 C ATOM 1071 C ASN A 68 11.087 2.134 8.448 1.00 0.00 C ATOM 1072 O ASN A 68 10.849 0.947 8.229 1.00 0.00 O ATOM 1073 CB ASN A 68 9.747 3.662 9.907 1.00 0.00 C ATOM 1074 CG ASN A 68 8.953 4.953 9.956 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.463 6.022 9.621 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.697 4.859 10.377 1.00 0.00 N ATOM 0 H ASN A 68 8.097 2.222 8.656 1.00 0.00 H new ATOM 0 HA ASN A 68 10.248 4.005 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.226 2.896 10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.715 3.815 10.385 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.114 5.694 10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.315 3.952 10.645 1.00 0.00 H new ATOM 1083 N ASN A 69 12.312 2.597 8.672 1.00 0.00 N ATOM 1084 CA ASN A 69 13.474 1.716 8.673 1.00 0.00 C ATOM 1085 C ASN A 69 13.665 1.067 7.305 1.00 0.00 C ATOM 1086 O ASN A 69 13.986 -0.118 7.209 1.00 0.00 O ATOM 1087 CB ASN A 69 13.321 0.636 9.746 1.00 0.00 C ATOM 1088 CG ASN A 69 13.607 1.160 11.139 1.00 0.00 C ATOM 1089 OD1 ASN A 69 14.177 2.239 11.304 1.00 0.00 O ATOM 1090 ND2 ASN A 69 13.213 0.396 12.151 1.00 0.00 N ATOM 0 H ASN A 69 12.526 3.577 8.855 1.00 0.00 H new ATOM 0 HA ASN A 69 14.355 2.318 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.308 0.236 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.998 -0.190 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.379 0.696 13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.744 -0.491 11.968 1.00 0.00 H new ATOM 1097 N CYS A 70 13.467 1.851 6.252 1.00 0.00 N ATOM 1098 CA CYS A 70 13.617 1.353 4.889 1.00 0.00 C ATOM 1099 C CYS A 70 15.031 0.831 4.654 1.00 0.00 C ATOM 1100 O CYS A 70 15.950 1.603 4.380 1.00 0.00 O ATOM 1101 CB CYS A 70 13.294 2.458 3.882 1.00 0.00 C ATOM 1102 SG CYS A 70 11.569 2.998 3.907 1.00 0.00 S ATOM 0 H CYS A 70 13.202 2.834 6.315 1.00 0.00 H new ATOM 0 HA CYS A 70 12.917 0.529 4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.935 3.316 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.538 2.105 2.880 1.00 0.00 H new ATOM 0 HG CYS A 70 11.031 2.680 5.047 1.00 0.00 H new ATOM 1108 N GLN A 71 15.197 -0.483 4.764 1.00 0.00 N ATOM 1109 CA GLN A 71 16.500 -1.107 4.565 1.00 0.00 C ATOM 1110 C GLN A 71 16.572 -1.795 3.206 1.00 0.00 C ATOM 1111 O GLN A 71 15.549 -2.172 2.636 1.00 0.00 O ATOM 1112 CB GLN A 71 16.779 -2.118 5.678 1.00 0.00 C ATOM 1113 CG GLN A 71 18.258 -2.286 5.991 1.00 0.00 C ATOM 1114 CD GLN A 71 18.739 -1.333 7.067 1.00 0.00 C ATOM 1115 OE1 GLN A 71 18.856 -0.057 6.718 1.00 0.00 O flip ATOM 1116 NE2 GLN A 71 19.002 -1.738 8.199 1.00 0.00 N flip ATOM 0 H GLN A 71 14.446 -1.136 4.990 1.00 0.00 H new ATOM 0 HA GLN A 71 17.259 -0.325 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.258 -1.803 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.365 -3.085 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.444 -3.312 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.838 -2.125 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.898 -2.727 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.324 -1.084 8.913 1.00 0.00 H new ATOM 1125 N MET A 72 17.788 -1.956 2.694 1.00 0.00 N ATOM 1126 CA MET A 72 17.993 -2.600 1.402 1.00 0.00 C ATOM 1127 C MET A 72 17.188 -3.892 1.304 1.00 0.00 C ATOM 1128 O MET A 72 16.808 -4.318 0.213 1.00 0.00 O ATOM 1129 CB MET A 72 19.479 -2.893 1.184 1.00 0.00 C ATOM 1130 CG MET A 72 20.377 -1.690 1.421 1.00 0.00 C ATOM 1131 SD MET A 72 19.858 -0.240 0.483 1.00 0.00 S ATOM 1132 CE MET A 72 19.604 0.944 1.802 1.00 0.00 C ATOM 0 H MET A 72 18.645 -1.650 3.154 1.00 0.00 H new ATOM 0 HA MET A 72 17.647 -1.918 0.625 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.783 -3.700 1.850 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.625 -3.250 0.164 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.381 -1.448 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 72 21.401 -1.947 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 72 19.296 1.900 1.378 1.00 0.00 H new ATOM 0 HE2 MET A 72 18.828 0.579 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 72 20.533 1.075 2.357 1.00 0.00 H new ATOM 1142 N THR A 73 16.932 -4.512 2.452 1.00 0.00 N ATOM 1143 CA THR A 73 16.174 -5.756 2.495 1.00 0.00 C ATOM 1144 C THR A 73 14.675 -5.490 2.413 1.00 0.00 C ATOM 1145 O THR A 73 13.915 -6.315 1.905 1.00 0.00 O ATOM 1146 CB THR A 73 16.472 -6.551 3.781 1.00 0.00 C ATOM 1147 OG1 THR A 73 16.207 -5.740 4.931 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.920 -7.017 3.805 1.00 0.00 C ATOM 0 H THR A 73 17.239 -4.173 3.364 1.00 0.00 H new ATOM 0 HA THR A 73 16.484 -6.345 1.632 1.00 0.00 H new ATOM 0 HB THR A 73 15.824 -7.428 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.397 -6.253 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.107 -7.576 4.722 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.110 -7.658 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.581 -6.152 3.766 1.00 0.00 H new ATOM 1156 N ASP A 74 14.256 -4.333 2.913 1.00 0.00 N ATOM 1157 CA ASP A 74 12.847 -3.957 2.894 1.00 0.00 C ATOM 1158 C ASP A 74 12.338 -3.830 1.462 1.00 0.00 C ATOM 1159 O ASP A 74 11.220 -4.240 1.151 1.00 0.00 O ATOM 1160 CB ASP A 74 12.639 -2.639 3.641 1.00 0.00 C ATOM 1161 CG ASP A 74 12.753 -2.801 5.144 1.00 0.00 C ATOM 1162 OD1 ASP A 74 13.331 -3.815 5.590 1.00 0.00 O ATOM 1163 OD2 ASP A 74 12.266 -1.914 5.875 1.00 0.00 O ATOM 0 H ASP A 74 14.872 -3.639 3.337 1.00 0.00 H new ATOM 0 HA ASP A 74 12.280 -4.742 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.376 -1.911 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.656 -2.237 3.395 1.00 0.00 H new ATOM 1168 N ASP A 75 13.166 -3.258 0.594 1.00 0.00 N ATOM 1169 CA ASP A 75 12.800 -3.076 -0.806 1.00 0.00 C ATOM 1170 C ASP A 75 12.151 -4.338 -1.366 1.00 0.00 C ATOM 1171 O ASP A 75 12.839 -5.253 -1.818 1.00 0.00 O ATOM 1172 CB ASP A 75 14.033 -2.711 -1.634 1.00 0.00 C ATOM 1173 CG ASP A 75 13.938 -3.208 -3.063 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.809 -3.279 -3.593 1.00 0.00 O ATOM 1175 OD2 ASP A 75 14.992 -3.527 -3.652 1.00 0.00 O ATOM 0 H ASP A 75 14.095 -2.913 0.835 1.00 0.00 H new ATOM 0 HA ASP A 75 12.078 -2.261 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.158 -1.628 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.921 -3.133 -1.164 1.00 0.00 H new ATOM 1180 N SER A 76 10.823 -4.379 -1.332 1.00 0.00 N ATOM 1181 CA SER A 76 10.081 -5.531 -1.832 1.00 0.00 C ATOM 1182 C SER A 76 8.880 -5.085 -2.661 1.00 0.00 C ATOM 1183 O SER A 76 8.453 -3.933 -2.585 1.00 0.00 O ATOM 1184 CB SER A 76 9.615 -6.408 -0.669 1.00 0.00 C ATOM 1185 OG SER A 76 10.598 -7.370 -0.329 1.00 0.00 O ATOM 0 H SER A 76 10.239 -3.628 -0.964 1.00 0.00 H new ATOM 0 HA SER A 76 10.746 -6.111 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.398 -5.783 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.687 -6.912 -0.939 1.00 0.00 H new ATOM 0 HG SER A 76 10.276 -7.917 0.418 1.00 0.00 H new ATOM 1191 N GLU A 77 8.340 -6.007 -3.452 1.00 0.00 N ATOM 1192 CA GLU A 77 7.188 -5.709 -4.296 1.00 0.00 C ATOM 1193 C GLU A 77 5.897 -5.735 -3.483 1.00 0.00 C ATOM 1194 O GLU A 77 5.438 -6.796 -3.060 1.00 0.00 O ATOM 1195 CB GLU A 77 7.099 -6.712 -5.447 1.00 0.00 C ATOM 1196 CG GLU A 77 6.092 -6.323 -6.516 1.00 0.00 C ATOM 1197 CD GLU A 77 6.426 -6.910 -7.874 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.606 -6.835 -8.277 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.510 -7.442 -8.534 1.00 0.00 O ATOM 0 H GLU A 77 8.681 -6.965 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 77 7.319 -4.707 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.082 -6.814 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.831 -7.690 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.100 -6.658 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.052 -5.237 -6.594 1.00 0.00 H new ATOM 1206 N TYR A 78 5.317 -4.559 -3.268 1.00 0.00 N ATOM 1207 CA TYR A 78 4.081 -4.446 -2.503 1.00 0.00 C ATOM 1208 C TYR A 78 2.868 -4.428 -3.429 1.00 0.00 C ATOM 1209 O TYR A 78 2.920 -3.878 -4.529 1.00 0.00 O ATOM 1210 CB TYR A 78 4.101 -3.179 -1.647 1.00 0.00 C ATOM 1211 CG TYR A 78 5.357 -3.027 -0.820 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.534 -2.556 -1.389 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.368 -3.355 0.530 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.685 -2.416 -0.637 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.514 -3.217 1.290 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.670 -2.747 0.702 1.00 0.00 C ATOM 1217 OH TYR A 78 8.813 -2.610 1.454 1.00 0.00 O ATOM 0 H TYR A 78 5.683 -3.671 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 78 4.006 -5.316 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.996 -2.310 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.237 -3.186 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.550 -2.295 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.465 -3.724 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.592 -2.049 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.505 -3.476 2.339 1.00 0.00 H new ATOM 0 HH TYR A 78 9.476 -3.270 1.164 1.00 0.00 H new ATOM 1227 N TYR A 79 1.777 -5.034 -2.974 1.00 0.00 N ATOM 1228 CA TYR A 79 0.550 -5.091 -3.760 1.00 0.00 C ATOM 1229 C TYR A 79 -0.679 -5.039 -2.858 1.00 0.00 C ATOM 1230 O TYR A 79 -0.754 -5.744 -1.851 1.00 0.00 O ATOM 1231 CB TYR A 79 0.521 -6.364 -4.608 1.00 0.00 C ATOM 1232 CG TYR A 79 0.215 -7.613 -3.813 1.00 0.00 C ATOM 1233 CD1 TYR A 79 -1.097 -8.017 -3.594 1.00 0.00 C ATOM 1234 CD2 TYR A 79 1.236 -8.390 -3.281 1.00 0.00 C ATOM 1235 CE1 TYR A 79 -1.381 -9.157 -2.868 1.00 0.00 C ATOM 1236 CE2 TYR A 79 0.961 -9.532 -2.555 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.349 -9.912 -2.351 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.628 -11.049 -1.628 1.00 0.00 O ATOM 0 H TYR A 79 1.717 -5.493 -2.065 1.00 0.00 H new ATOM 0 HA TYR A 79 0.531 -4.223 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.227 -6.251 -5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.486 -6.484 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.908 -7.429 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.263 -8.096 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.406 -9.456 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.768 -10.125 -2.149 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.844 -10.804 -0.704 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.641 -4.200 -3.227 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.868 -4.056 -2.452 1.00 0.00 C ATOM 1250 C VAL A 80 -4.063 -4.634 -3.204 1.00 0.00 C ATOM 1251 O VAL A 80 -4.195 -4.455 -4.415 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.151 -2.580 -2.118 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.305 -1.763 -3.392 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.392 -2.460 -1.246 1.00 0.00 C ATOM 0 H VAL A 80 -1.595 -3.610 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.723 -4.609 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.302 -2.183 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.505 -0.723 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.387 -1.823 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.134 -2.157 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.577 -1.410 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.250 -2.874 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.239 -3.010 -0.317 1.00 0.00 H new ATOM 1264 N THR A 81 -4.933 -5.328 -2.477 1.00 0.00 N ATOM 1265 CA THR A 81 -6.117 -5.933 -3.074 1.00 0.00 C ATOM 1266 C THR A 81 -7.391 -5.284 -2.546 1.00 0.00 C ATOM 1267 O THR A 81 -7.528 -5.048 -1.346 1.00 0.00 O ATOM 1268 CB THR A 81 -6.173 -7.447 -2.798 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.276 -7.686 -1.390 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.937 -8.143 -3.347 1.00 0.00 C ATOM 0 H THR A 81 -4.840 -5.485 -1.473 1.00 0.00 H new ATOM 0 HA THR A 81 -6.048 -5.769 -4.149 1.00 0.00 H new ATOM 0 HB THR A 81 -7.052 -7.853 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.313 -8.651 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.999 -9.211 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.878 -7.985 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.047 -7.732 -2.871 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.323 -4.998 -3.450 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.588 -4.379 -3.074 1.00 0.00 C ATOM 1280 C ALA A 82 -10.727 -4.880 -3.955 1.00 0.00 C ATOM 1281 O ALA A 82 -10.816 -4.529 -5.131 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.479 -2.864 -3.158 1.00 0.00 C ATOM 0 H ALA A 82 -8.225 -5.185 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.810 -4.659 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.431 -2.414 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.698 -2.517 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.230 -2.573 -4.179 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.597 -5.704 -3.378 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.719 -6.240 -4.126 1.00 0.00 C ATOM 1290 C GLY A 83 -12.295 -7.292 -5.132 1.00 0.00 C ATOM 1291 O GLY A 83 -11.902 -8.397 -4.757 1.00 0.00 O ATOM 0 H GLY A 83 -11.545 -6.010 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.440 -6.674 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.226 -5.428 -4.646 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.377 -6.949 -6.413 1.00 0.00 N ATOM 1296 CA ASP A 84 -11.999 -7.873 -7.477 1.00 0.00 C ATOM 1297 C ASP A 84 -10.826 -7.323 -8.283 1.00 0.00 C ATOM 1298 O ASP A 84 -10.483 -7.855 -9.337 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.190 -8.135 -8.400 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.390 -8.686 -7.655 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.195 -9.545 -6.770 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.524 -8.260 -7.958 1.00 0.00 O ATOM 0 H ASP A 84 -12.701 -6.039 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.692 -8.812 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.470 -7.207 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.895 -8.839 -9.178 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.218 -6.254 -7.778 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.085 -5.631 -8.453 1.00 0.00 C ATOM 1309 C GLU A 85 -7.917 -5.437 -7.490 1.00 0.00 C ATOM 1310 O GLU A 85 -8.097 -5.425 -6.272 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.496 -4.284 -9.051 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.512 -4.402 -10.175 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.936 -5.058 -11.415 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.863 -4.616 -11.876 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.559 -6.013 -11.925 1.00 0.00 O ATOM 0 H GLU A 85 -10.490 -5.802 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.765 -6.294 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.911 -3.657 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.608 -3.777 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.368 -4.980 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.881 -3.409 -10.432 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.719 -5.286 -8.044 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.521 -5.091 -7.237 1.00 0.00 C ATOM 1324 C LYS A 86 -4.388 -4.508 -8.076 1.00 0.00 C ATOM 1325 O LYS A 86 -4.453 -4.504 -9.306 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.079 -6.418 -6.616 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.101 -7.197 -7.478 1.00 0.00 C ATOM 1328 CD LYS A 86 -2.661 -6.834 -7.156 1.00 0.00 C ATOM 1329 CE LYS A 86 -1.720 -8.001 -7.415 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.996 -9.147 -6.506 1.00 0.00 N ATOM 0 H LYS A 86 -6.552 -5.295 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.760 -4.385 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.620 -6.221 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.959 -7.034 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.251 -8.266 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.301 -6.995 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.357 -5.979 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.586 -6.530 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.821 -8.326 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.689 -7.673 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.253 -9.866 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.009 -8.814 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.919 -9.563 -6.742 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.353 -4.017 -7.404 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.205 -3.432 -8.088 1.00 0.00 C ATOM 1346 C CYS A 87 -0.937 -3.589 -7.255 1.00 0.00 C ATOM 1347 O CYS A 87 -0.997 -3.699 -6.030 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.459 -1.952 -8.378 1.00 0.00 C ATOM 1349 SG CYS A 87 -3.292 -1.641 -9.953 1.00 0.00 S ATOM 0 H CYS A 87 -3.285 -4.012 -6.386 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.066 -3.962 -9.031 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.061 -1.533 -7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.506 -1.423 -8.372 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.041 -2.659 -10.256 1.00 0.00 H new ATOM 1355 N SER A 88 0.209 -3.602 -7.928 1.00 0.00 N ATOM 1356 CA SER A 88 1.491 -3.752 -7.250 1.00 0.00 C ATOM 1357 C SER A 88 2.441 -2.618 -7.627 1.00 0.00 C ATOM 1358 O SER A 88 2.312 -2.012 -8.692 1.00 0.00 O ATOM 1359 CB SER A 88 2.123 -5.100 -7.602 1.00 0.00 C ATOM 1360 OG SER A 88 2.389 -5.191 -8.991 1.00 0.00 O ATOM 0 H SER A 88 0.276 -3.511 -8.942 1.00 0.00 H new ATOM 0 HA SER A 88 1.313 -3.712 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.049 -5.228 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.455 -5.908 -7.303 1.00 0.00 H new ATOM 0 HG SER A 88 2.794 -6.061 -9.190 1.00 0.00 H new ATOM 1366 N THR A 89 3.396 -2.337 -6.747 1.00 0.00 N ATOM 1367 CA THR A 89 4.366 -1.276 -6.984 1.00 0.00 C ATOM 1368 C THR A 89 5.779 -1.738 -6.646 1.00 0.00 C ATOM 1369 O THR A 89 5.969 -2.799 -6.053 1.00 0.00 O ATOM 1370 CB THR A 89 4.038 -0.018 -6.158 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.070 0.960 -6.324 1.00 0.00 O ATOM 1372 CG2 THR A 89 3.890 -0.362 -4.684 1.00 0.00 C ATOM 0 H THR A 89 3.518 -2.830 -5.863 1.00 0.00 H new ATOM 0 HA THR A 89 4.311 -1.029 -8.044 1.00 0.00 H new ATOM 0 HB THR A 89 3.092 0.389 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.804 1.602 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.659 0.542 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.083 -1.084 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.822 -0.791 -4.315 1.00 0.00 H new ATOM 1380 N GLU A 90 6.767 -0.933 -7.025 1.00 0.00 N ATOM 1381 CA GLU A 90 8.163 -1.261 -6.761 1.00 0.00 C ATOM 1382 C GLU A 90 8.783 -0.259 -5.792 1.00 0.00 C ATOM 1383 O GLU A 90 8.552 0.947 -5.895 1.00 0.00 O ATOM 1384 CB GLU A 90 8.960 -1.285 -8.067 1.00 0.00 C ATOM 1385 CG GLU A 90 10.115 -2.273 -8.057 1.00 0.00 C ATOM 1386 CD GLU A 90 11.214 -1.876 -7.091 1.00 0.00 C ATOM 1387 OE1 GLU A 90 11.375 -0.663 -6.842 1.00 0.00 O ATOM 1388 OE2 GLU A 90 11.913 -2.778 -6.584 1.00 0.00 O ATOM 0 H GLU A 90 6.626 -0.050 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 90 8.197 -2.250 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.288 -1.533 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.349 -0.286 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.741 -3.261 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.530 -2.351 -9.062 1.00 0.00 H new ATOM 1395 N LEU A 91 9.571 -0.765 -4.850 1.00 0.00 N ATOM 1396 CA LEU A 91 10.225 0.084 -3.861 1.00 0.00 C ATOM 1397 C LEU A 91 11.738 0.086 -4.059 1.00 0.00 C ATOM 1398 O LEU A 91 12.372 -0.968 -4.082 1.00 0.00 O ATOM 1399 CB LEU A 91 9.885 -0.390 -2.447 1.00 0.00 C ATOM 1400 CG LEU A 91 10.295 0.544 -1.309 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.809 0.570 -1.158 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.758 1.947 -1.550 1.00 0.00 C ATOM 0 H LEU A 91 9.773 -1.760 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 91 9.858 1.102 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.808 -0.551 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.361 -1.357 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 91 9.864 0.166 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.082 1.240 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.170 -0.435 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.261 0.923 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.060 2.598 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.159 2.334 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.670 1.915 -1.607 1.00 0.00 H new ATOM 1414 N PHE A 92 12.309 1.278 -4.200 1.00 0.00 N ATOM 1415 CA PHE A 92 13.748 1.417 -4.395 1.00 0.00 C ATOM 1416 C PHE A 92 14.360 2.303 -3.314 1.00 0.00 C ATOM 1417 O PHE A 92 14.391 3.527 -3.442 1.00 0.00 O ATOM 1418 CB PHE A 92 14.042 2.003 -5.777 1.00 0.00 C ATOM 1419 CG PHE A 92 13.845 1.023 -6.898 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.680 -0.074 -7.032 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.823 1.198 -7.818 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.501 -0.977 -8.063 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.639 0.299 -8.851 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.479 -0.791 -8.973 1.00 0.00 C ATOM 0 H PHE A 92 11.798 2.161 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 92 14.197 0.426 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.397 2.866 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.070 2.365 -5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.480 -0.226 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.162 2.047 -7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.160 -1.828 -8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.840 0.448 -9.562 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.337 -1.496 -9.778 1.00 0.00 H new ATOM 1434 N VAL A 93 14.845 1.675 -2.247 1.00 0.00 N ATOM 1435 CA VAL A 93 15.457 2.405 -1.143 1.00 0.00 C ATOM 1436 C VAL A 93 16.954 2.584 -1.366 1.00 0.00 C ATOM 1437 O VAL A 93 17.720 1.622 -1.309 1.00 0.00 O ATOM 1438 CB VAL A 93 15.231 1.684 0.199 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.458 0.188 0.047 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.140 2.262 1.273 1.00 0.00 C ATOM 0 H VAL A 93 14.826 0.663 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 93 14.979 3.384 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 93 14.197 1.841 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.294 -0.304 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.762 -0.212 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.481 0.007 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.967 1.741 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.181 2.137 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.924 3.323 1.400 1.00 0.00 H new ATOM 1450 N ARG A 94 17.365 3.822 -1.619 1.00 0.00 N ATOM 1451 CA ARG A 94 18.772 4.128 -1.851 1.00 0.00 C ATOM 1452 C ARG A 94 19.534 4.216 -0.532 1.00 0.00 C ATOM 1453 O ARG A 94 18.941 4.151 0.545 1.00 0.00 O ATOM 1454 CB ARG A 94 18.909 5.444 -2.620 1.00 0.00 C ATOM 1455 CG ARG A 94 18.150 5.461 -3.937 1.00 0.00 C ATOM 1456 CD ARG A 94 18.484 6.698 -4.756 1.00 0.00 C ATOM 1457 NE ARG A 94 19.707 6.525 -5.535 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.383 7.533 -6.076 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.957 8.779 -5.922 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.487 7.295 -6.772 1.00 0.00 N ATOM 0 H ARG A 94 16.744 4.630 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 94 19.201 3.321 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.551 6.260 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.965 5.632 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.394 4.567 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.078 5.431 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.655 6.923 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.596 7.554 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 94 20.062 5.578 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 94 19.109 8.966 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 94 20.478 9.551 -6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 94 21.818 6.338 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 94 22.005 8.069 -7.187 1.00 0.00 H new ATOM 1474 N SER A 95 20.851 4.364 -0.624 1.00 0.00 N ATOM 1475 CA SER A 95 21.695 4.456 0.561 1.00 0.00 C ATOM 1476 C SER A 95 22.894 5.364 0.306 1.00 0.00 C ATOM 1477 O SER A 95 23.711 5.099 -0.575 1.00 0.00 O ATOM 1478 CB SER A 95 22.175 3.065 0.981 1.00 0.00 C ATOM 1479 OG SER A 95 23.189 2.592 0.112 1.00 0.00 O ATOM 0 H SER A 95 21.357 4.423 -1.508 1.00 0.00 H new ATOM 0 HA SER A 95 21.100 4.886 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.554 3.101 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.335 2.370 0.977 1.00 0.00 H new ATOM 0 HG SER A 95 23.437 3.301 -0.518 1.00 0.00 H new ATOM 1485 N GLY A 96 22.992 6.438 1.084 1.00 0.00 N ATOM 1486 CA GLY A 96 24.093 7.370 0.927 1.00 0.00 C ATOM 1487 C GLY A 96 24.394 8.132 2.202 1.00 0.00 C ATOM 1488 O GLY A 96 23.499 8.453 2.985 1.00 0.00 O ATOM 0 H GLY A 96 22.328 6.679 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 96 24.984 6.826 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 96 23.856 8.077 0.132 1.00 0.00 H new ATOM 1492 N PRO A 97 25.681 8.434 2.426 1.00 0.00 N ATOM 1493 CA PRO A 97 26.128 9.166 3.615 1.00 0.00 C ATOM 1494 C PRO A 97 25.688 10.625 3.596 1.00 0.00 C ATOM 1495 O PRO A 97 25.879 11.328 2.604 1.00 0.00 O ATOM 1496 CB PRO A 97 27.653 9.066 3.541 1.00 0.00 C ATOM 1497 CG PRO A 97 27.951 8.875 2.094 1.00 0.00 C ATOM 1498 CD PRO A 97 26.801 8.083 1.536 1.00 0.00 C ATOM 0 HA PRO A 97 25.705 8.754 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 97 28.128 9.968 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 97 28.024 8.231 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 97 28.048 9.834 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 97 28.893 8.345 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.592 8.353 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 97 27.006 7.012 1.551 1.00 0.00 H new ATOM 1506 N SER A 98 25.098 11.076 4.699 1.00 0.00 N ATOM 1507 CA SER A 98 24.628 12.452 4.808 1.00 0.00 C ATOM 1508 C SER A 98 24.014 12.921 3.493 1.00 0.00 C ATOM 1509 O SER A 98 24.313 14.014 3.011 1.00 0.00 O ATOM 1510 CB SER A 98 25.780 13.377 5.205 1.00 0.00 C ATOM 1511 OG SER A 98 26.879 13.230 4.322 1.00 0.00 O ATOM 0 H SER A 98 24.934 10.508 5.530 1.00 0.00 H new ATOM 0 HA SER A 98 23.860 12.488 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 98 25.439 14.412 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 98 26.096 13.153 6.224 1.00 0.00 H new ATOM 0 HG SER A 98 27.602 13.833 4.596 1.00 0.00 H new ATOM 1517 N SER A 99 23.155 12.087 2.917 1.00 0.00 N ATOM 1518 CA SER A 99 22.501 12.413 1.655 1.00 0.00 C ATOM 1519 C SER A 99 21.489 13.540 1.843 1.00 0.00 C ATOM 1520 O SER A 99 20.421 13.341 2.421 1.00 0.00 O ATOM 1521 CB SER A 99 21.804 11.178 1.082 1.00 0.00 C ATOM 1522 OG SER A 99 21.135 11.485 -0.129 1.00 0.00 O ATOM 0 H SER A 99 22.895 11.180 3.304 1.00 0.00 H new ATOM 0 HA SER A 99 23.266 12.747 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.538 10.391 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 99 21.089 10.791 1.808 1.00 0.00 H new ATOM 0 HG SER A 99 20.699 10.679 -0.475 1.00 0.00 H new ATOM 1528 N GLY A 100 21.834 14.726 1.350 1.00 0.00 N ATOM 1529 CA GLY A 100 20.947 15.867 1.473 1.00 0.00 C ATOM 1530 C GLY A 100 19.858 15.872 0.419 1.00 0.00 C ATOM 1531 O GLY A 100 18.843 16.552 0.568 1.00 0.00 O ATOM 0 H GLY A 100 22.712 14.916 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.490 15.863 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.529 16.785 1.394 1.00 0.00 H new TER 1535 GLY A 100