USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 120 MET CE :methyl 175:sc= -1.46 (180deg=-1.07) USER MOD Set 1.2: A 157 MET CE :methyl 174:sc= -2.2! (180deg=-2.86!) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0511) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -67:sc= 0.877 USER MOD Single : A 103 MET CE :methyl 150:sc= -0.0575 (180deg=-0.945) USER MOD Single : A 106 LYS NZ :NH3+ -143:sc= -0.558 (180deg=-3.1!) USER MOD Single : A 107 ASN : amide:sc= -6.41! C(o=-6.4!,f=-9.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -2.44! C(o=-2.4!,f=-1.7!) USER MOD Single : A 124 THR OG1 : rot -42:sc= 0.254 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 137 MET CE :methyl -172:sc= -0.741 (180deg=-0.892) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -4.08! C(o=-4.1!,f=-13!) USER MOD Single : A 144 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.1!) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.627 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 61.560 -21.874 -12.029 1.00 7.24 N ATOM 2 CA LYS A 86 60.206 -22.234 -11.516 1.00 7.10 C ATOM 3 C LYS A 86 60.212 -22.272 -9.985 1.00 6.94 C ATOM 4 O LYS A 86 59.312 -21.772 -9.339 1.00 7.49 O ATOM 5 CB LYS A 86 59.923 -23.624 -12.085 1.00 7.61 C ATOM 6 CG LYS A 86 58.558 -24.109 -11.594 1.00 8.01 C ATOM 7 CD LYS A 86 58.230 -25.454 -12.243 1.00 8.72 C ATOM 8 CE LYS A 86 57.295 -26.250 -11.328 1.00 9.14 C ATOM 9 NZ LYS A 86 55.966 -25.593 -11.473 1.00 9.95 N ATOM 0 HA LYS A 86 59.447 -21.510 -11.812 1.00 7.10 H new ATOM 0 HB2 LYS A 86 59.939 -23.593 -13.174 1.00 7.61 H new ATOM 0 HB3 LYS A 86 60.701 -24.321 -11.775 1.00 7.61 H new ATOM 0 HG2 LYS A 86 58.565 -24.209 -10.509 1.00 8.01 H new ATOM 0 HG3 LYS A 86 57.790 -23.377 -11.842 1.00 8.01 H new ATOM 0 HD2 LYS A 86 57.759 -25.296 -13.213 1.00 8.72 H new ATOM 0 HD3 LYS A 86 59.146 -26.016 -12.422 1.00 8.72 H new ATOM 0 HE2 LYS A 86 57.252 -27.298 -11.623 1.00 9.14 H new ATOM 0 HE3 LYS A 86 57.638 -26.224 -10.294 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 55.238 -26.177 -11.014 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 55.991 -24.655 -11.024 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 55.739 -25.487 -12.482 1.00 9.95 H new ATOM 25 N ASP A 87 61.219 -22.859 -9.400 1.00 6.50 N ATOM 26 CA ASP A 87 61.281 -22.929 -7.912 1.00 6.70 C ATOM 27 C ASP A 87 62.507 -22.171 -7.398 1.00 6.03 C ATOM 28 O ASP A 87 62.854 -22.247 -6.235 1.00 6.49 O ATOM 29 CB ASP A 87 61.395 -24.418 -7.589 1.00 7.25 C ATOM 30 CG ASP A 87 61.135 -24.642 -6.098 1.00 7.77 C ATOM 31 OD1 ASP A 87 61.972 -24.245 -5.305 1.00 8.06 O ATOM 32 OD2 ASP A 87 60.102 -25.205 -5.776 1.00 8.12 O ATOM 0 H ASP A 87 62.002 -23.294 -9.888 1.00 6.50 H new ATOM 0 HA ASP A 87 60.408 -22.477 -7.441 1.00 6.70 H new ATOM 0 HB2 ASP A 87 60.678 -24.985 -8.183 1.00 7.25 H new ATOM 0 HB3 ASP A 87 62.387 -24.783 -7.854 1.00 7.25 H new ATOM 37 N ASP A 88 63.166 -21.439 -8.254 1.00 5.23 N ATOM 38 CA ASP A 88 64.368 -20.675 -7.813 1.00 5.00 C ATOM 39 C ASP A 88 63.949 -19.316 -7.245 1.00 4.51 C ATOM 40 O ASP A 88 64.733 -18.620 -6.631 1.00 4.82 O ATOM 41 CB ASP A 88 65.206 -20.492 -9.080 1.00 5.14 C ATOM 42 CG ASP A 88 65.482 -21.858 -9.711 1.00 5.52 C ATOM 43 OD1 ASP A 88 64.557 -22.433 -10.259 1.00 5.85 O ATOM 44 OD2 ASP A 88 66.615 -22.306 -9.634 1.00 5.82 O ATOM 0 H ASP A 88 62.924 -21.337 -9.240 1.00 5.23 H new ATOM 0 HA ASP A 88 64.922 -21.190 -7.029 1.00 5.00 H new ATOM 0 HB2 ASP A 88 64.679 -19.852 -9.788 1.00 5.14 H new ATOM 0 HB3 ASP A 88 66.145 -19.994 -8.839 1.00 5.14 H new ATOM 49 N SER A 89 62.717 -18.937 -7.446 1.00 4.24 N ATOM 50 CA SER A 89 62.242 -17.625 -6.918 1.00 4.26 C ATOM 51 C SER A 89 60.899 -17.798 -6.205 1.00 3.50 C ATOM 52 O SER A 89 60.079 -16.902 -6.180 1.00 3.81 O ATOM 53 CB SER A 89 62.084 -16.737 -8.150 1.00 5.08 C ATOM 54 OG SER A 89 61.018 -17.231 -8.950 1.00 5.76 O ATOM 0 H SER A 89 62.017 -19.479 -7.953 1.00 4.24 H new ATOM 0 HA SER A 89 62.934 -17.196 -6.193 1.00 4.26 H new ATOM 0 HB2 SER A 89 61.882 -15.709 -7.848 1.00 5.08 H new ATOM 0 HB3 SER A 89 63.010 -16.724 -8.725 1.00 5.08 H new ATOM 0 HG SER A 89 60.912 -16.663 -9.741 1.00 5.76 H new ATOM 60 N LYS A 90 60.666 -18.945 -5.628 1.00 3.10 N ATOM 61 CA LYS A 90 59.374 -19.175 -4.921 1.00 3.08 C ATOM 62 C LYS A 90 59.367 -18.440 -3.578 1.00 2.72 C ATOM 63 O LYS A 90 58.608 -17.513 -3.371 1.00 3.21 O ATOM 64 CB LYS A 90 59.304 -20.687 -4.706 1.00 3.94 C ATOM 65 CG LYS A 90 58.546 -21.333 -5.867 1.00 4.74 C ATOM 66 CD LYS A 90 57.049 -21.057 -5.717 1.00 5.61 C ATOM 67 CE LYS A 90 56.460 -21.989 -4.655 1.00 6.53 C ATOM 68 NZ LYS A 90 55.700 -21.094 -3.739 1.00 7.32 N ATOM 0 H LYS A 90 61.314 -19.733 -5.615 1.00 3.10 H new ATOM 0 HA LYS A 90 58.521 -18.804 -5.489 1.00 3.08 H new ATOM 0 HB2 LYS A 90 60.310 -21.102 -4.638 1.00 3.94 H new ATOM 0 HB3 LYS A 90 58.804 -20.908 -3.763 1.00 3.94 H new ATOM 0 HG2 LYS A 90 58.906 -20.936 -6.816 1.00 4.74 H new ATOM 0 HG3 LYS A 90 58.729 -22.407 -5.881 1.00 4.74 H new ATOM 0 HD2 LYS A 90 56.887 -20.017 -5.433 1.00 5.61 H new ATOM 0 HD3 LYS A 90 56.543 -21.210 -6.670 1.00 5.61 H new ATOM 0 HE2 LYS A 90 55.809 -22.739 -5.105 1.00 6.53 H new ATOM 0 HE3 LYS A 90 57.244 -22.526 -4.122 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 55.266 -21.660 -2.982 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 56.347 -20.395 -3.321 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 54.956 -20.601 -4.273 1.00 7.32 H new ATOM 82 N GLY A 91 60.204 -18.846 -2.664 1.00 2.57 N ATOM 83 CA GLY A 91 60.242 -18.169 -1.337 1.00 2.96 C ATOM 84 C GLY A 91 60.773 -16.745 -1.506 1.00 2.68 C ATOM 85 O GLY A 91 60.297 -15.989 -2.330 1.00 2.94 O ATOM 0 H GLY A 91 60.863 -19.616 -2.778 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.244 -18.147 -0.899 1.00 2.96 H new ATOM 0 HA3 GLY A 91 60.879 -18.727 -0.650 1.00 2.96 H new ATOM 89 N LYS A 92 61.756 -16.373 -0.734 1.00 2.54 N ATOM 90 CA LYS A 92 62.318 -14.997 -0.853 1.00 2.34 C ATOM 91 C LYS A 92 63.485 -14.815 0.120 1.00 2.22 C ATOM 92 O LYS A 92 63.449 -15.279 1.242 1.00 2.57 O ATOM 93 CB LYS A 92 61.164 -14.063 -0.486 1.00 2.51 C ATOM 94 CG LYS A 92 61.705 -12.649 -0.261 1.00 2.46 C ATOM 95 CD LYS A 92 61.406 -12.212 1.174 1.00 2.69 C ATOM 96 CE LYS A 92 59.944 -11.775 1.283 1.00 2.82 C ATOM 97 NZ LYS A 92 59.443 -12.416 2.531 1.00 3.39 N ATOM 0 H LYS A 92 62.195 -16.962 -0.026 1.00 2.54 H new ATOM 0 HA LYS A 92 62.704 -14.795 -1.852 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.420 -14.057 -1.282 1.00 2.51 H new ATOM 0 HB3 LYS A 92 60.665 -14.421 0.414 1.00 2.51 H new ATOM 0 HG2 LYS A 92 62.779 -12.626 -0.443 1.00 2.46 H new ATOM 0 HG3 LYS A 92 61.247 -11.956 -0.967 1.00 2.46 H new ATOM 0 HD2 LYS A 92 61.603 -13.033 1.863 1.00 2.69 H new ATOM 0 HD3 LYS A 92 62.064 -11.391 1.459 1.00 2.69 H new ATOM 0 HE2 LYS A 92 59.859 -10.690 1.335 1.00 2.82 H new ATOM 0 HE3 LYS A 92 59.369 -12.098 0.415 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 58.445 -12.163 2.675 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 59.530 -13.449 2.450 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 60.004 -12.084 3.341 1.00 3.39 H new ATOM 111 N THR A 93 64.519 -14.140 -0.301 1.00 1.93 N ATOM 112 CA THR A 93 65.686 -13.927 0.601 1.00 1.88 C ATOM 113 C THR A 93 66.226 -12.503 0.438 1.00 1.62 C ATOM 114 O THR A 93 65.554 -11.629 -0.073 1.00 1.47 O ATOM 115 CB THR A 93 66.728 -14.953 0.149 1.00 1.99 C ATOM 116 OG1 THR A 93 66.762 -14.999 -1.271 1.00 2.05 O ATOM 117 CG2 THR A 93 66.360 -16.333 0.697 1.00 2.53 C ATOM 0 H THR A 93 64.606 -13.727 -1.230 1.00 1.93 H new ATOM 0 HA THR A 93 65.425 -14.049 1.652 1.00 1.88 H new ATOM 0 HB THR A 93 67.709 -14.664 0.527 1.00 1.99 H new ATOM 0 HG1 THR A 93 67.430 -15.655 -1.561 1.00 2.05 H new ATOM 0 HG21 THR A 93 67.103 -17.063 0.374 1.00 2.53 H new ATOM 0 HG22 THR A 93 66.336 -16.297 1.786 1.00 2.53 H new ATOM 0 HG23 THR A 93 65.379 -16.624 0.322 1.00 2.53 H new ATOM 125 N GLU A 94 67.432 -12.261 0.872 1.00 1.64 N ATOM 126 CA GLU A 94 68.009 -10.893 0.743 1.00 1.49 C ATOM 127 C GLU A 94 68.089 -10.483 -0.731 1.00 1.41 C ATOM 128 O GLU A 94 68.300 -9.330 -1.054 1.00 1.36 O ATOM 129 CB GLU A 94 69.409 -10.996 1.349 1.00 1.64 C ATOM 130 CG GLU A 94 69.415 -10.349 2.735 1.00 1.85 C ATOM 131 CD GLU A 94 68.793 -11.310 3.749 1.00 2.27 C ATOM 132 OE1 GLU A 94 69.204 -12.458 3.775 1.00 2.65 O ATOM 133 OE2 GLU A 94 67.918 -10.882 4.483 1.00 2.83 O ATOM 0 H GLU A 94 68.043 -12.951 1.310 1.00 1.64 H new ATOM 0 HA GLU A 94 67.400 -10.141 1.245 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.709 -12.041 1.423 1.00 1.64 H new ATOM 0 HB3 GLU A 94 70.134 -10.502 0.702 1.00 1.64 H new ATOM 0 HG2 GLU A 94 70.435 -10.104 3.029 1.00 1.85 H new ATOM 0 HG3 GLU A 94 68.856 -9.414 2.714 1.00 1.85 H new ATOM 140 N GLU A 95 67.924 -11.417 -1.628 1.00 1.47 N ATOM 141 CA GLU A 95 67.993 -11.078 -3.079 1.00 1.49 C ATOM 142 C GLU A 95 66.645 -10.534 -3.562 1.00 1.39 C ATOM 143 O GLU A 95 66.576 -9.520 -4.228 1.00 1.40 O ATOM 144 CB GLU A 95 68.323 -12.396 -3.778 1.00 1.68 C ATOM 145 CG GLU A 95 69.833 -12.637 -3.726 1.00 2.03 C ATOM 146 CD GLU A 95 70.167 -13.956 -4.423 1.00 2.24 C ATOM 147 OE1 GLU A 95 69.946 -14.994 -3.820 1.00 2.56 O ATOM 148 OE2 GLU A 95 70.638 -13.907 -5.547 1.00 2.72 O ATOM 0 H GLU A 95 67.745 -12.399 -1.420 1.00 1.47 H new ATOM 0 HA GLU A 95 68.737 -10.309 -3.288 1.00 1.49 H new ATOM 0 HB2 GLU A 95 67.796 -13.218 -3.294 1.00 1.68 H new ATOM 0 HB3 GLU A 95 67.984 -12.365 -4.814 1.00 1.68 H new ATOM 0 HG2 GLU A 95 70.359 -11.815 -4.211 1.00 2.03 H new ATOM 0 HG3 GLU A 95 70.171 -12.666 -2.690 1.00 2.03 H new ATOM 155 N GLU A 96 65.573 -11.202 -3.233 1.00 1.38 N ATOM 156 CA GLU A 96 64.230 -10.723 -3.675 1.00 1.34 C ATOM 157 C GLU A 96 64.009 -9.275 -3.229 1.00 1.16 C ATOM 158 O GLU A 96 63.350 -8.503 -3.897 1.00 1.07 O ATOM 159 CB GLU A 96 63.232 -11.652 -2.985 1.00 1.51 C ATOM 160 CG GLU A 96 62.791 -12.744 -3.962 1.00 2.07 C ATOM 161 CD GLU A 96 61.313 -12.556 -4.305 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.782 -11.503 -3.993 1.00 2.60 O ATOM 163 OE2 GLU A 96 60.736 -13.468 -4.876 1.00 2.61 O ATOM 0 H GLU A 96 65.568 -12.058 -2.678 1.00 1.38 H new ATOM 0 HA GLU A 96 64.123 -10.741 -4.760 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.687 -12.101 -2.102 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.367 -11.084 -2.643 1.00 1.51 H new ATOM 0 HG2 GLU A 96 63.394 -12.700 -4.869 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.950 -13.728 -3.520 1.00 2.07 H new ATOM 170 N LEU A 97 64.555 -8.899 -2.104 1.00 1.14 N ATOM 171 CA LEU A 97 64.373 -7.501 -1.618 1.00 0.99 C ATOM 172 C LEU A 97 64.815 -6.505 -2.693 1.00 0.82 C ATOM 173 O LEU A 97 64.211 -5.466 -2.877 1.00 0.70 O ATOM 174 CB LEU A 97 65.269 -7.391 -0.385 1.00 1.03 C ATOM 175 CG LEU A 97 64.401 -7.257 0.867 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.980 -8.123 1.986 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.376 -5.794 1.314 1.00 1.71 C ATOM 0 H LEU A 97 65.118 -9.499 -1.501 1.00 1.14 H new ATOM 0 HA LEU A 97 63.332 -7.277 -1.387 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.906 -8.272 -0.306 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.928 -6.528 -0.477 1.00 1.03 H new ATOM 0 HG LEU A 97 63.387 -7.587 0.643 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.361 -8.027 2.878 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.998 -9.165 1.667 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.995 -7.795 2.212 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.758 -5.697 2.206 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.391 -5.465 1.538 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.962 -5.177 0.517 1.00 1.71 H new ATOM 189 N SER A 98 65.866 -6.810 -3.402 1.00 0.87 N ATOM 190 CA SER A 98 66.347 -5.880 -4.463 1.00 0.78 C ATOM 191 C SER A 98 65.245 -5.639 -5.497 1.00 0.75 C ATOM 192 O SER A 98 65.019 -4.527 -5.931 1.00 0.74 O ATOM 193 CB SER A 98 67.536 -6.592 -5.104 1.00 0.93 C ATOM 194 OG SER A 98 67.057 -7.585 -6.003 1.00 1.41 O ATOM 0 H SER A 98 66.413 -7.664 -3.293 1.00 0.87 H new ATOM 0 HA SER A 98 66.623 -4.905 -4.062 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.162 -5.875 -5.635 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.159 -7.050 -4.335 1.00 0.93 H new ATOM 0 HG SER A 98 66.607 -8.294 -5.498 1.00 1.41 H new ATOM 200 N ASP A 99 64.558 -6.675 -5.898 1.00 0.80 N ATOM 201 CA ASP A 99 63.472 -6.504 -6.907 1.00 0.82 C ATOM 202 C ASP A 99 62.384 -5.576 -6.364 1.00 0.77 C ATOM 203 O ASP A 99 61.844 -4.753 -7.076 1.00 0.77 O ATOM 204 CB ASP A 99 62.914 -7.909 -7.133 1.00 0.93 C ATOM 205 CG ASP A 99 63.774 -8.642 -8.164 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.438 -7.971 -8.937 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.752 -9.862 -8.165 1.00 2.18 O ATOM 0 H ASP A 99 64.701 -7.631 -5.571 1.00 0.80 H new ATOM 0 HA ASP A 99 63.837 -6.057 -7.832 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.903 -8.462 -6.194 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.883 -7.850 -7.480 1.00 0.93 H new ATOM 212 N LEU A 100 62.055 -5.702 -5.107 1.00 0.77 N ATOM 213 CA LEU A 100 60.999 -4.826 -4.522 1.00 0.77 C ATOM 214 C LEU A 100 61.412 -3.355 -4.628 1.00 0.64 C ATOM 215 O LEU A 100 60.587 -2.481 -4.803 1.00 0.64 O ATOM 216 CB LEU A 100 60.896 -5.249 -3.056 1.00 0.85 C ATOM 217 CG LEU A 100 59.796 -6.301 -2.899 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.598 -6.612 -1.416 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.489 -5.762 -3.482 1.00 1.57 C ATOM 0 H LEU A 100 62.471 -6.372 -4.460 1.00 0.77 H new ATOM 0 HA LEU A 100 60.047 -4.927 -5.042 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.850 -5.653 -2.716 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.676 -4.383 -2.432 1.00 0.85 H new ATOM 0 HG LEU A 100 60.084 -7.210 -3.428 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.815 -7.361 -1.303 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.529 -6.994 -0.997 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.309 -5.703 -0.889 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.705 -6.511 -3.371 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.201 -4.854 -2.952 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.628 -5.537 -4.539 1.00 1.57 H new ATOM 231 N PHE A 101 62.683 -3.077 -4.522 1.00 0.60 N ATOM 232 CA PHE A 101 63.145 -1.662 -4.615 1.00 0.53 C ATOM 233 C PHE A 101 63.003 -1.149 -6.050 1.00 0.49 C ATOM 234 O PHE A 101 62.485 -0.077 -6.288 1.00 0.61 O ATOM 235 CB PHE A 101 64.617 -1.697 -4.202 1.00 0.57 C ATOM 236 CG PHE A 101 65.208 -0.315 -4.333 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.756 0.099 -5.553 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.209 0.553 -3.235 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.304 1.380 -5.675 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.758 1.835 -3.357 1.00 1.30 C ATOM 241 CZ PHE A 101 66.305 2.249 -4.577 1.00 0.40 C ATOM 0 H PHE A 101 63.420 -3.767 -4.375 1.00 0.60 H new ATOM 0 HA PHE A 101 62.559 -0.996 -3.982 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.709 -2.048 -3.174 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.165 -2.400 -4.829 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.756 -0.571 -6.400 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.786 0.234 -2.294 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.727 1.699 -6.616 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.759 2.505 -2.510 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.728 3.238 -4.671 1.00 0.40 H new ATOM 251 N ARG A 102 63.459 -1.907 -7.009 1.00 0.53 N ATOM 252 CA ARG A 102 63.349 -1.460 -8.429 1.00 0.70 C ATOM 253 C ARG A 102 61.939 -1.728 -8.961 1.00 0.80 C ATOM 254 O ARG A 102 61.594 -1.334 -10.058 1.00 1.09 O ATOM 255 CB ARG A 102 64.379 -2.297 -9.189 1.00 0.87 C ATOM 256 CG ARG A 102 63.915 -3.756 -9.238 1.00 1.28 C ATOM 257 CD ARG A 102 65.040 -4.631 -9.793 1.00 1.83 C ATOM 258 NE ARG A 102 65.436 -3.984 -11.074 1.00 2.26 N ATOM 259 CZ ARG A 102 65.141 -4.551 -12.211 1.00 2.89 C ATOM 260 NH1 ARG A 102 64.105 -5.340 -12.297 1.00 3.22 N ATOM 261 NH2 ARG A 102 65.881 -4.330 -13.262 1.00 3.68 N ATOM 0 H ARG A 102 63.903 -2.815 -6.873 1.00 0.53 H new ATOM 0 HA ARG A 102 63.531 -0.391 -8.541 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.504 -1.910 -10.200 1.00 0.87 H new ATOM 0 HB3 ARG A 102 65.351 -2.229 -8.700 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.636 -4.094 -8.240 1.00 1.28 H new ATOM 0 HG3 ARG A 102 63.028 -3.846 -9.864 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.880 -4.681 -9.100 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.700 -5.654 -9.956 1.00 1.83 H new ATOM 0 HE ARG A 102 65.939 -3.096 -11.063 1.00 2.26 H new ATOM 0 HH11 ARG A 102 63.526 -5.513 -11.475 1.00 3.22 H new ATOM 0 HH12 ARG A 102 63.874 -5.783 -13.186 1.00 3.22 H new ATOM 0 HH21 ARG A 102 66.691 -3.714 -13.195 1.00 3.68 H new ATOM 0 HH22 ARG A 102 65.650 -4.774 -14.151 1.00 3.68 H new ATOM 275 N MET A 103 61.121 -2.396 -8.193 1.00 0.68 N ATOM 276 CA MET A 103 59.733 -2.688 -8.657 1.00 0.81 C ATOM 277 C MET A 103 58.750 -1.674 -8.064 1.00 0.79 C ATOM 278 O MET A 103 57.702 -1.416 -8.619 1.00 0.90 O ATOM 279 CB MET A 103 59.430 -4.094 -8.137 1.00 0.91 C ATOM 280 CG MET A 103 57.950 -4.412 -8.359 1.00 1.35 C ATOM 281 SD MET A 103 57.785 -6.098 -8.995 1.00 1.92 S ATOM 282 CE MET A 103 58.645 -6.935 -7.641 1.00 1.63 C ATOM 0 H MET A 103 61.353 -2.752 -7.266 1.00 0.68 H new ATOM 0 HA MET A 103 59.639 -2.624 -9.741 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.052 -4.826 -8.653 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.672 -4.161 -7.076 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.401 -4.309 -7.423 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.516 -3.702 -9.063 1.00 1.35 H new ATOM 0 HE1 MET A 103 58.238 -7.938 -7.516 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.708 -7.001 -7.871 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.508 -6.371 -6.719 1.00 1.63 H new ATOM 292 N PHE A 104 59.081 -1.099 -6.940 1.00 0.71 N ATOM 293 CA PHE A 104 58.163 -0.103 -6.314 1.00 0.75 C ATOM 294 C PHE A 104 58.643 1.321 -6.607 1.00 0.68 C ATOM 295 O PHE A 104 57.935 2.282 -6.386 1.00 0.80 O ATOM 296 CB PHE A 104 58.227 -0.390 -4.813 1.00 0.76 C ATOM 297 CG PHE A 104 57.099 -1.320 -4.433 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.804 -0.816 -4.262 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.347 -2.685 -4.255 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.757 -1.678 -3.913 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.299 -3.547 -3.907 1.00 1.90 C ATOM 302 CZ PHE A 104 55.005 -3.043 -3.735 1.00 1.76 C ATOM 0 H PHE A 104 59.946 -1.275 -6.428 1.00 0.71 H new ATOM 0 HA PHE A 104 57.147 -0.181 -6.702 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.186 -0.840 -4.558 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.152 0.540 -4.250 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.612 0.238 -4.399 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.346 -3.074 -4.386 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.758 -1.289 -3.781 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.490 -4.601 -3.771 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.198 -3.708 -3.465 1.00 1.76 H new ATOM 312 N ASP A 105 59.842 1.461 -7.103 1.00 0.58 N ATOM 313 CA ASP A 105 60.369 2.823 -7.409 1.00 0.52 C ATOM 314 C ASP A 105 59.368 3.602 -8.266 1.00 0.52 C ATOM 315 O ASP A 105 59.428 3.580 -9.479 1.00 0.60 O ATOM 316 CB ASP A 105 61.664 2.580 -8.184 1.00 0.60 C ATOM 317 CG ASP A 105 62.555 3.820 -8.092 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.129 4.788 -7.483 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.650 3.781 -8.630 1.00 0.54 O ATOM 0 H ASP A 105 60.480 0.692 -7.310 1.00 0.58 H new ATOM 0 HA ASP A 105 60.536 3.412 -6.507 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.186 1.713 -7.778 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.440 2.357 -9.227 1.00 0.60 H new ATOM 324 N LYS A 106 58.450 4.294 -7.647 1.00 0.51 N ATOM 325 CA LYS A 106 57.456 5.076 -8.436 1.00 0.60 C ATOM 326 C LYS A 106 58.186 6.087 -9.322 1.00 0.59 C ATOM 327 O LYS A 106 57.810 6.323 -10.453 1.00 0.70 O ATOM 328 CB LYS A 106 56.589 5.793 -7.400 1.00 0.63 C ATOM 329 CG LYS A 106 55.426 6.491 -8.108 1.00 1.39 C ATOM 330 CD LYS A 106 54.374 5.454 -8.510 1.00 1.58 C ATOM 331 CE LYS A 106 54.370 5.294 -10.033 1.00 2.00 C ATOM 332 NZ LYS A 106 54.261 6.681 -10.564 1.00 2.79 N ATOM 0 H LYS A 106 58.346 4.352 -6.634 1.00 0.51 H new ATOM 0 HA LYS A 106 56.854 4.445 -9.090 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.209 5.078 -6.670 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.186 6.522 -6.852 1.00 0.63 H new ATOM 0 HG2 LYS A 106 54.982 7.238 -7.450 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.788 7.018 -8.991 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.590 4.498 -8.034 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.389 5.767 -8.164 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.281 4.808 -10.382 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.534 4.678 -10.363 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.660 6.681 -11.413 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.839 7.297 -9.841 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 55.208 7.034 -10.810 1.00 2.79 H new ATOM 346 N ASN A 107 59.234 6.681 -8.818 1.00 0.53 N ATOM 347 CA ASN A 107 59.992 7.671 -9.636 1.00 0.59 C ATOM 348 C ASN A 107 60.944 6.940 -10.587 1.00 0.60 C ATOM 349 O ASN A 107 61.286 7.435 -11.641 1.00 0.71 O ATOM 350 CB ASN A 107 60.774 8.506 -8.621 1.00 0.62 C ATOM 351 CG ASN A 107 61.917 9.243 -9.323 1.00 1.10 C ATOM 352 OD1 ASN A 107 62.993 9.376 -8.777 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.728 9.731 -10.520 1.00 1.67 N ATOM 0 H ASN A 107 59.597 6.524 -7.878 1.00 0.53 H new ATOM 0 HA ASN A 107 59.341 8.291 -10.252 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.110 9.223 -8.138 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.172 7.862 -7.837 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.484 10.223 -10.995 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.824 9.620 -10.979 1.00 1.67 H new ATOM 360 N ALA A 108 61.367 5.761 -10.221 1.00 0.56 N ATOM 361 CA ALA A 108 62.293 4.990 -11.102 1.00 0.62 C ATOM 362 C ALA A 108 63.547 5.814 -11.411 1.00 0.64 C ATOM 363 O ALA A 108 63.819 6.142 -12.549 1.00 0.78 O ATOM 364 CB ALA A 108 61.495 4.728 -12.379 1.00 0.72 C ATOM 0 H ALA A 108 61.112 5.297 -9.349 1.00 0.56 H new ATOM 0 HA ALA A 108 62.632 4.066 -10.634 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.108 4.163 -13.082 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.599 4.156 -12.137 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.208 5.678 -12.830 1.00 0.72 H new ATOM 370 N ASP A 109 64.315 6.149 -10.410 1.00 0.57 N ATOM 371 CA ASP A 109 65.550 6.947 -10.654 1.00 0.63 C ATOM 372 C ASP A 109 66.736 6.333 -9.902 1.00 0.63 C ATOM 373 O ASP A 109 67.838 6.843 -9.939 1.00 0.76 O ATOM 374 CB ASP A 109 65.235 8.347 -10.119 1.00 0.62 C ATOM 375 CG ASP A 109 65.336 8.354 -8.591 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.635 7.575 -7.968 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.112 9.139 -8.070 1.00 1.20 O ATOM 0 H ASP A 109 64.141 5.905 -9.435 1.00 0.57 H new ATOM 0 HA ASP A 109 65.824 6.970 -11.709 1.00 0.63 H new ATOM 0 HB2 ASP A 109 65.930 9.073 -10.542 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.234 8.647 -10.428 1.00 0.62 H new ATOM 382 N GLY A 110 66.516 5.245 -9.217 1.00 0.58 N ATOM 383 CA GLY A 110 67.630 4.603 -8.461 1.00 0.62 C ATOM 384 C GLY A 110 67.394 4.779 -6.961 1.00 0.54 C ATOM 385 O GLY A 110 67.963 4.079 -6.146 1.00 0.57 O ATOM 0 H GLY A 110 65.615 4.773 -9.148 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.689 3.543 -8.709 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.582 5.050 -8.745 1.00 0.62 H new ATOM 389 N TYR A 111 66.556 5.708 -6.590 1.00 0.50 N ATOM 390 CA TYR A 111 66.276 5.930 -5.142 1.00 0.48 C ATOM 391 C TYR A 111 64.775 6.139 -4.925 1.00 0.42 C ATOM 392 O TYR A 111 64.015 6.261 -5.865 1.00 0.52 O ATOM 393 CB TYR A 111 67.049 7.198 -4.775 1.00 0.52 C ATOM 394 CG TYR A 111 68.474 7.082 -5.259 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.432 6.435 -4.470 1.00 1.38 C ATOM 396 CD2 TYR A 111 68.838 7.626 -6.498 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.754 6.330 -4.919 1.00 1.46 C ATOM 398 CE2 TYR A 111 70.160 7.520 -6.947 1.00 1.40 C ATOM 399 CZ TYR A 111 71.117 6.873 -6.157 1.00 0.83 C ATOM 400 OH TYR A 111 72.421 6.770 -6.600 1.00 0.97 O ATOM 0 H TYR A 111 66.052 6.324 -7.228 1.00 0.50 H new ATOM 0 HA TYR A 111 66.575 5.080 -4.529 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.572 8.069 -5.224 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.032 7.346 -3.695 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.151 6.017 -3.515 1.00 1.38 H new ATOM 0 HD2 TYR A 111 68.099 8.127 -7.106 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.493 5.830 -4.310 1.00 1.46 H new ATOM 0 HE2 TYR A 111 70.441 7.937 -7.903 1.00 1.40 H new ATOM 0 HH TYR A 111 72.503 7.198 -7.478 1.00 0.97 H new ATOM 410 N ILE A 112 64.342 6.186 -3.695 1.00 0.36 N ATOM 411 CA ILE A 112 62.890 6.393 -3.428 1.00 0.32 C ATOM 412 C ILE A 112 62.695 7.379 -2.281 1.00 0.35 C ATOM 413 O ILE A 112 63.179 7.184 -1.185 1.00 0.43 O ATOM 414 CB ILE A 112 62.352 5.021 -3.061 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.811 4.043 -4.148 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.820 5.092 -2.993 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.737 2.992 -4.426 1.00 0.46 C ATOM 0 H ILE A 112 64.928 6.090 -2.866 1.00 0.36 H new ATOM 0 HA ILE A 112 62.370 6.812 -4.290 1.00 0.32 H new ATOM 0 HB ILE A 112 62.720 4.688 -2.091 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.035 4.590 -5.064 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.733 3.553 -3.836 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.422 4.112 -2.730 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.523 5.819 -2.237 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.426 5.395 -3.963 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.087 2.310 -5.201 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.532 2.431 -3.514 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.824 3.484 -4.761 1.00 0.46 H new ATOM 429 N ASP A 113 61.988 8.439 -2.534 1.00 0.36 N ATOM 430 CA ASP A 113 61.756 9.456 -1.467 1.00 0.44 C ATOM 431 C ASP A 113 60.422 9.194 -0.761 1.00 0.44 C ATOM 432 O ASP A 113 59.768 8.202 -1.004 1.00 0.60 O ATOM 433 CB ASP A 113 61.719 10.797 -2.199 1.00 0.56 C ATOM 434 CG ASP A 113 60.689 10.735 -3.328 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.507 10.713 -3.024 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.098 10.710 -4.477 1.00 1.53 O ATOM 0 H ASP A 113 61.558 8.650 -3.435 1.00 0.36 H new ATOM 0 HA ASP A 113 62.530 9.430 -0.700 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.464 11.596 -1.503 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.704 11.030 -2.604 1.00 0.56 H new ATOM 441 N LEU A 114 60.020 10.076 0.110 1.00 0.47 N ATOM 442 CA LEU A 114 58.729 9.882 0.835 1.00 0.47 C ATOM 443 C LEU A 114 57.578 9.702 -0.158 1.00 0.50 C ATOM 444 O LEU A 114 56.876 8.711 -0.142 1.00 0.52 O ATOM 445 CB LEU A 114 58.531 11.174 1.630 1.00 0.57 C ATOM 446 CG LEU A 114 59.170 11.037 3.011 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.323 10.106 3.879 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.576 10.457 2.862 1.00 1.57 C ATOM 0 H LEU A 114 60.529 10.926 0.353 1.00 0.47 H new ATOM 0 HA LEU A 114 58.746 8.996 1.470 1.00 0.47 H new ATOM 0 HB2 LEU A 114 58.977 12.013 1.095 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.467 11.390 1.731 1.00 0.57 H new ATOM 0 HG LEU A 114 59.227 12.017 3.484 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.781 10.010 4.864 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.320 10.519 3.984 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.264 9.124 3.409 1.00 1.36 H new ATOM 0 HD21 LEU A 114 61.035 10.358 3.846 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.517 9.477 2.389 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.180 11.122 2.245 1.00 1.57 H new ATOM 460 N GLU A 115 57.378 10.667 -1.007 1.00 0.56 N ATOM 461 CA GLU A 115 56.267 10.589 -2.001 1.00 0.64 C ATOM 462 C GLU A 115 56.213 9.212 -2.666 1.00 0.56 C ATOM 463 O GLU A 115 55.156 8.725 -3.014 1.00 0.61 O ATOM 464 CB GLU A 115 56.590 11.669 -3.034 1.00 0.77 C ATOM 465 CG GLU A 115 55.890 12.973 -2.649 1.00 1.54 C ATOM 466 CD GLU A 115 55.100 13.503 -3.848 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.692 13.644 -4.906 1.00 2.45 O ATOM 468 OE2 GLU A 115 53.919 13.758 -3.688 1.00 2.67 O ATOM 0 H GLU A 115 57.940 11.516 -1.058 1.00 0.56 H new ATOM 0 HA GLU A 115 55.295 10.738 -1.531 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.667 11.825 -3.087 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.265 11.349 -4.024 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.221 12.803 -1.806 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.625 13.712 -2.329 1.00 1.54 H new ATOM 475 N GLU A 116 57.339 8.582 -2.854 1.00 0.49 N ATOM 476 CA GLU A 116 57.334 7.243 -3.510 1.00 0.45 C ATOM 477 C GLU A 116 56.955 6.152 -2.505 1.00 0.43 C ATOM 478 O GLU A 116 56.132 5.302 -2.780 1.00 0.51 O ATOM 479 CB GLU A 116 58.763 7.039 -4.008 1.00 0.42 C ATOM 480 CG GLU A 116 59.151 8.195 -4.932 1.00 0.94 C ATOM 481 CD GLU A 116 60.458 7.856 -5.650 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.607 6.717 -6.061 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.287 8.742 -5.779 1.00 1.28 O ATOM 0 H GLU A 116 58.258 8.933 -2.584 1.00 0.49 H new ATOM 0 HA GLU A 116 56.607 7.189 -4.320 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.450 6.988 -3.163 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.842 6.091 -4.541 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.360 8.374 -5.660 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.268 9.112 -4.355 1.00 0.94 H new ATOM 490 N LEU A 117 57.547 6.167 -1.344 1.00 0.37 N ATOM 491 CA LEU A 117 57.219 5.128 -0.328 1.00 0.42 C ATOM 492 C LEU A 117 55.723 5.161 -0.002 1.00 0.50 C ATOM 493 O LEU A 117 55.160 4.192 0.469 1.00 0.58 O ATOM 494 CB LEU A 117 58.050 5.497 0.902 1.00 0.43 C ATOM 495 CG LEU A 117 58.450 4.223 1.647 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.770 3.694 1.083 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.623 4.536 3.135 1.00 1.53 C ATOM 0 H LEU A 117 58.244 6.853 -1.054 1.00 0.37 H new ATOM 0 HA LEU A 117 57.443 4.121 -0.679 1.00 0.42 H new ATOM 0 HB2 LEU A 117 58.940 6.050 0.601 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.476 6.151 1.559 1.00 0.43 H new ATOM 0 HG LEU A 117 57.672 3.470 1.520 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.055 2.786 1.614 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.649 3.471 0.023 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.548 4.447 1.209 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.908 3.628 3.667 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.401 5.290 3.260 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.684 4.913 3.539 1.00 1.53 H new ATOM 509 N LYS A 118 55.072 6.265 -0.251 1.00 0.52 N ATOM 510 CA LYS A 118 53.612 6.348 0.042 1.00 0.63 C ATOM 511 C LYS A 118 52.836 5.453 -0.927 1.00 0.71 C ATOM 512 O LYS A 118 51.854 4.835 -0.569 1.00 0.83 O ATOM 513 CB LYS A 118 53.238 7.817 -0.173 1.00 0.68 C ATOM 514 CG LYS A 118 54.306 8.719 0.449 1.00 1.05 C ATOM 515 CD LYS A 118 53.635 9.768 1.337 1.00 1.33 C ATOM 516 CE LYS A 118 54.689 10.442 2.218 1.00 1.49 C ATOM 517 NZ LYS A 118 54.441 11.903 2.065 1.00 1.82 N ATOM 0 H LYS A 118 55.486 7.111 -0.643 1.00 0.52 H new ATOM 0 HA LYS A 118 53.375 6.016 1.053 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.147 8.027 -1.239 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.267 8.024 0.276 1.00 0.68 H new ATOM 0 HG2 LYS A 118 55.004 8.122 1.037 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.886 9.207 -0.334 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.131 10.513 0.721 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.872 9.299 1.959 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.591 10.132 3.258 1.00 1.49 H new ATOM 0 HE3 LYS A 118 55.697 10.177 1.900 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 55.126 12.434 2.641 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.548 12.170 1.066 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.476 12.126 2.382 1.00 1.82 H new ATOM 531 N ILE A 119 53.274 5.383 -2.155 1.00 0.72 N ATOM 532 CA ILE A 119 52.569 4.531 -3.154 1.00 0.84 C ATOM 533 C ILE A 119 52.932 3.058 -2.943 1.00 0.86 C ATOM 534 O ILE A 119 52.162 2.169 -3.247 1.00 0.96 O ATOM 535 CB ILE A 119 53.072 5.028 -4.508 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.329 6.313 -4.875 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.813 3.970 -5.582 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.179 7.127 -5.847 1.00 1.08 C ATOM 0 H ILE A 119 54.091 5.880 -2.510 1.00 0.72 H new ATOM 0 HA ILE A 119 51.484 4.598 -3.072 1.00 0.84 H new ATOM 0 HB ILE A 119 54.143 5.220 -4.447 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.367 6.074 -5.328 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.123 6.896 -3.978 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.175 4.332 -6.544 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.336 3.050 -5.321 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.743 3.772 -5.648 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.652 8.044 -6.111 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.130 7.377 -5.377 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.362 6.542 -6.748 1.00 1.08 H new ATOM 550 N MET A 120 54.100 2.793 -2.425 1.00 0.82 N ATOM 551 CA MET A 120 54.511 1.379 -2.195 1.00 0.92 C ATOM 552 C MET A 120 53.676 0.760 -1.071 1.00 0.92 C ATOM 553 O MET A 120 53.227 -0.364 -1.166 1.00 1.01 O ATOM 554 CB MET A 120 55.985 1.457 -1.791 1.00 0.96 C ATOM 555 CG MET A 120 56.415 0.135 -1.152 1.00 1.50 C ATOM 556 SD MET A 120 58.066 0.318 -0.437 1.00 2.13 S ATOM 557 CE MET A 120 58.788 -1.181 -1.147 1.00 2.73 C ATOM 0 H MET A 120 54.788 3.495 -2.151 1.00 0.82 H new ATOM 0 HA MET A 120 54.363 0.756 -3.077 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.601 1.667 -2.665 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.137 2.277 -1.090 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.703 -0.156 -0.380 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.417 -0.659 -1.899 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.849 -1.224 -0.903 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.285 -2.057 -0.736 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.665 -1.166 -2.230 1.00 2.73 H new ATOM 567 N LEU A 121 53.469 1.486 -0.008 1.00 0.88 N ATOM 568 CA LEU A 121 52.664 0.939 1.123 1.00 0.96 C ATOM 569 C LEU A 121 51.203 0.772 0.698 1.00 0.99 C ATOM 570 O LEU A 121 50.629 -0.292 0.822 1.00 1.12 O ATOM 571 CB LEU A 121 52.778 1.982 2.229 1.00 0.98 C ATOM 572 CG LEU A 121 54.252 2.233 2.554 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.375 3.466 3.451 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.829 1.017 3.282 1.00 1.81 C ATOM 0 H LEU A 121 53.821 2.434 0.128 1.00 0.88 H new ATOM 0 HA LEU A 121 53.018 -0.040 1.446 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.302 2.911 1.916 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.253 1.639 3.120 1.00 0.98 H new ATOM 0 HG LEU A 121 54.803 2.399 1.628 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.425 3.644 3.682 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.965 4.334 2.935 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.823 3.300 4.376 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.879 1.196 3.513 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.277 0.851 4.207 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.743 0.137 2.645 1.00 1.81 H new ATOM 586 N GLN A 122 50.596 1.813 0.199 1.00 0.95 N ATOM 587 CA GLN A 122 49.176 1.704 -0.235 1.00 1.05 C ATOM 588 C GLN A 122 49.045 0.604 -1.289 1.00 1.12 C ATOM 589 O GLN A 122 48.069 -0.118 -1.332 1.00 1.24 O ATOM 590 CB GLN A 122 48.829 3.069 -0.832 1.00 1.07 C ATOM 591 CG GLN A 122 49.525 3.227 -2.185 1.00 1.49 C ATOM 592 CD GLN A 122 49.082 4.538 -2.838 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.011 4.633 -4.047 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.780 5.559 -2.084 1.00 1.52 N ATOM 0 H GLN A 122 51.021 2.732 0.073 1.00 0.95 H new ATOM 0 HA GLN A 122 48.507 1.447 0.587 1.00 1.05 H new ATOM 0 HB2 GLN A 122 47.750 3.161 -0.954 1.00 1.07 H new ATOM 0 HB3 GLN A 122 49.142 3.864 -0.155 1.00 1.07 H new ATOM 0 HG2 GLN A 122 50.607 3.222 -2.052 1.00 1.49 H new ATOM 0 HG3 GLN A 122 49.280 2.385 -2.832 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.840 5.479 -1.069 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.484 6.437 -2.510 1.00 1.52 H new ATOM 603 N ALA A 123 50.029 0.469 -2.135 1.00 1.11 N ATOM 604 CA ALA A 123 49.972 -0.588 -3.181 1.00 1.26 C ATOM 605 C ALA A 123 50.147 -1.962 -2.533 1.00 1.39 C ATOM 606 O ALA A 123 49.708 -2.968 -3.055 1.00 1.55 O ATOM 607 CB ALA A 123 51.138 -0.283 -4.121 1.00 1.31 C ATOM 0 H ALA A 123 50.870 1.046 -2.146 1.00 1.11 H new ATOM 0 HA ALA A 123 49.021 -0.600 -3.713 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.163 -1.022 -4.922 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.010 0.711 -4.549 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.074 -0.321 -3.564 1.00 1.31 H new ATOM 613 N THR A 124 50.786 -2.011 -1.396 1.00 1.38 N ATOM 614 CA THR A 124 50.986 -3.320 -0.710 1.00 1.59 C ATOM 615 C THR A 124 50.168 -3.367 0.583 1.00 1.77 C ATOM 616 O THR A 124 50.365 -4.223 1.423 1.00 2.03 O ATOM 617 CB THR A 124 52.483 -3.382 -0.402 1.00 1.65 C ATOM 618 OG1 THR A 124 52.829 -4.701 -0.001 1.00 2.26 O ATOM 619 CG2 THR A 124 52.813 -2.400 0.722 1.00 1.97 C ATOM 0 H THR A 124 51.178 -1.203 -0.913 1.00 1.38 H new ATOM 0 HA THR A 124 50.662 -4.162 -1.322 1.00 1.59 H new ATOM 0 HB THR A 124 53.050 -3.114 -1.293 1.00 1.65 H new ATOM 0 HG1 THR A 124 52.143 -5.049 0.607 1.00 2.26 H new ATOM 0 HG21 THR A 124 53.880 -2.444 0.942 1.00 1.97 H new ATOM 0 HG22 THR A 124 52.548 -1.389 0.412 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.247 -2.666 1.615 1.00 1.97 H new ATOM 627 N GLY A 125 49.251 -2.454 0.750 1.00 1.74 N ATOM 628 CA GLY A 125 48.421 -2.448 1.987 1.00 2.07 C ATOM 629 C GLY A 125 47.139 -1.648 1.743 1.00 1.64 C ATOM 630 O GLY A 125 46.429 -1.876 0.784 1.00 2.16 O ATOM 0 H GLY A 125 49.041 -1.712 0.083 1.00 1.74 H new ATOM 0 HA2 GLY A 125 48.174 -3.470 2.276 1.00 2.07 H new ATOM 0 HA3 GLY A 125 48.983 -2.010 2.812 1.00 2.07 H new ATOM 634 N GLU A 126 46.837 -0.715 2.604 1.00 1.68 N ATOM 635 CA GLU A 126 45.600 0.097 2.422 1.00 1.94 C ATOM 636 C GLU A 126 45.959 1.565 2.177 1.00 1.76 C ATOM 637 O GLU A 126 47.116 1.937 2.165 1.00 2.42 O ATOM 638 CB GLU A 126 44.835 -0.050 3.738 1.00 2.83 C ATOM 639 CG GLU A 126 43.814 -1.184 3.615 1.00 3.43 C ATOM 640 CD GLU A 126 42.553 -0.820 4.401 1.00 4.44 C ATOM 641 OE1 GLU A 126 42.673 -0.091 5.372 1.00 4.97 O ATOM 642 OE2 GLU A 126 41.488 -1.275 4.018 1.00 5.02 O ATOM 0 H GLU A 126 47.393 -0.480 3.426 1.00 1.68 H new ATOM 0 HA GLU A 126 45.013 -0.234 1.566 1.00 1.94 H new ATOM 0 HB2 GLU A 126 45.529 -0.259 4.552 1.00 2.83 H new ATOM 0 HB3 GLU A 126 44.329 0.884 3.982 1.00 2.83 H new ATOM 0 HG2 GLU A 126 43.566 -1.353 2.567 1.00 3.43 H new ATOM 0 HG3 GLU A 126 44.238 -2.113 3.996 1.00 3.43 H new ATOM 649 N THR A 127 44.975 2.402 1.989 1.00 1.67 N ATOM 650 CA THR A 127 45.259 3.846 1.751 1.00 1.97 C ATOM 651 C THR A 127 45.764 4.498 3.042 1.00 1.60 C ATOM 652 O THR A 127 44.993 4.972 3.853 1.00 1.70 O ATOM 653 CB THR A 127 43.918 4.449 1.330 1.00 2.78 C ATOM 654 OG1 THR A 127 43.136 3.454 0.685 1.00 3.37 O ATOM 655 CG2 THR A 127 44.160 5.615 0.370 1.00 3.72 C ATOM 0 H THR A 127 43.987 2.148 1.990 1.00 1.67 H new ATOM 0 HA THR A 127 46.027 4.001 0.994 1.00 1.97 H new ATOM 0 HB THR A 127 43.389 4.812 2.211 1.00 2.78 H new ATOM 0 HG1 THR A 127 42.275 3.838 0.416 1.00 3.37 H new ATOM 0 HG21 THR A 127 43.204 6.044 0.070 1.00 3.72 H new ATOM 0 HG22 THR A 127 44.760 6.377 0.867 1.00 3.72 H new ATOM 0 HG23 THR A 127 44.689 5.256 -0.513 1.00 3.72 H new ATOM 663 N ILE A 128 47.053 4.515 3.242 1.00 1.39 N ATOM 664 CA ILE A 128 47.611 5.126 4.481 1.00 1.35 C ATOM 665 C ILE A 128 47.798 6.635 4.298 1.00 1.27 C ATOM 666 O ILE A 128 47.603 7.171 3.225 1.00 1.39 O ATOM 667 CB ILE A 128 48.962 4.434 4.676 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.447 4.653 6.108 1.00 2.00 C ATOM 669 CG2 ILE A 128 49.988 5.011 3.697 1.00 2.58 C ATOM 670 CD1 ILE A 128 49.842 3.308 6.716 1.00 2.44 C ATOM 0 H ILE A 128 47.746 4.131 2.599 1.00 1.39 H new ATOM 0 HA ILE A 128 46.953 4.998 5.341 1.00 1.35 H new ATOM 0 HB ILE A 128 48.847 3.366 4.489 1.00 1.59 H new ATOM 0 HG12 ILE A 128 50.299 5.333 6.116 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.662 5.118 6.704 1.00 2.00 H new ATOM 0 HG21 ILE A 128 50.948 4.514 3.841 1.00 2.58 H new ATOM 0 HG22 ILE A 128 49.646 4.850 2.675 1.00 2.58 H new ATOM 0 HG23 ILE A 128 50.102 6.080 3.878 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.189 3.459 7.738 1.00 2.44 H new ATOM 0 HD12 ILE A 128 48.978 2.643 6.720 1.00 2.44 H new ATOM 0 HD13 ILE A 128 50.641 2.862 6.124 1.00 2.44 H new ATOM 682 N THR A 129 48.174 7.323 5.341 1.00 1.18 N ATOM 683 CA THR A 129 48.376 8.796 5.232 1.00 1.21 C ATOM 684 C THR A 129 49.864 9.135 5.374 1.00 1.10 C ATOM 685 O THR A 129 50.687 8.270 5.597 1.00 1.04 O ATOM 686 CB THR A 129 47.577 9.391 6.394 1.00 1.37 C ATOM 687 OG1 THR A 129 48.115 8.935 7.629 1.00 1.63 O ATOM 688 CG2 THR A 129 46.115 8.957 6.284 1.00 1.63 C ATOM 0 H THR A 129 48.350 6.929 6.265 1.00 1.18 H new ATOM 0 HA THR A 129 48.050 9.190 4.269 1.00 1.21 H new ATOM 0 HB THR A 129 47.638 10.479 6.353 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.602 9.319 8.371 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.546 9.381 7.112 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.700 9.311 5.340 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.055 7.869 6.322 1.00 1.63 H new ATOM 696 N GLU A 130 50.214 10.385 5.248 1.00 1.13 N ATOM 697 CA GLU A 130 51.647 10.773 5.381 1.00 1.09 C ATOM 698 C GLU A 130 52.075 10.705 6.849 1.00 1.03 C ATOM 699 O GLU A 130 53.219 10.940 7.185 1.00 0.98 O ATOM 700 CB GLU A 130 51.716 12.211 4.867 1.00 1.23 C ATOM 701 CG GLU A 130 51.004 13.140 5.853 1.00 1.68 C ATOM 702 CD GLU A 130 51.988 14.194 6.363 1.00 2.20 C ATOM 703 OE1 GLU A 130 52.955 13.813 7.002 1.00 2.77 O ATOM 704 OE2 GLU A 130 51.758 15.363 6.104 1.00 2.66 O ATOM 0 H GLU A 130 49.571 11.154 5.059 1.00 1.13 H new ATOM 0 HA GLU A 130 52.310 10.110 4.825 1.00 1.09 H new ATOM 0 HB2 GLU A 130 52.756 12.517 4.749 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.250 12.280 3.884 1.00 1.23 H new ATOM 0 HG2 GLU A 130 50.157 13.623 5.367 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.606 12.564 6.689 1.00 1.68 H new ATOM 711 N ASP A 131 51.163 10.387 7.727 1.00 1.08 N ATOM 712 CA ASP A 131 51.513 10.306 9.174 1.00 1.10 C ATOM 713 C ASP A 131 52.206 8.973 9.478 1.00 0.95 C ATOM 714 O ASP A 131 53.114 8.905 10.283 1.00 0.88 O ATOM 715 CB ASP A 131 50.174 10.393 9.907 1.00 1.27 C ATOM 716 CG ASP A 131 50.413 10.333 11.417 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.066 11.227 11.929 1.00 2.09 O ATOM 718 OD2 ASP A 131 49.937 9.394 12.034 1.00 2.28 O ATOM 0 H ASP A 131 50.189 10.180 7.505 1.00 1.08 H new ATOM 0 HA ASP A 131 52.199 11.096 9.479 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.664 11.320 9.646 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.525 9.574 9.598 1.00 1.27 H new ATOM 723 N ASP A 132 51.782 7.914 8.843 1.00 0.96 N ATOM 724 CA ASP A 132 52.415 6.588 9.100 1.00 0.88 C ATOM 725 C ASP A 132 53.587 6.360 8.141 1.00 0.76 C ATOM 726 O ASP A 132 54.411 5.492 8.348 1.00 0.72 O ATOM 727 CB ASP A 132 51.308 5.565 8.841 1.00 0.99 C ATOM 728 CG ASP A 132 50.066 5.941 9.652 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.595 7.055 9.495 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.607 5.107 10.416 1.00 1.70 O ATOM 0 H ASP A 132 51.026 7.909 8.158 1.00 0.96 H new ATOM 0 HA ASP A 132 52.815 6.514 10.111 1.00 0.88 H new ATOM 0 HB2 ASP A 132 51.067 5.536 7.778 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.648 4.567 9.118 1.00 0.99 H new ATOM 735 N ILE A 133 53.670 7.132 7.093 1.00 0.78 N ATOM 736 CA ILE A 133 54.789 6.953 6.125 1.00 0.73 C ATOM 737 C ILE A 133 55.953 7.879 6.485 1.00 0.66 C ATOM 738 O ILE A 133 57.107 7.511 6.385 1.00 0.63 O ATOM 739 CB ILE A 133 54.203 7.332 4.765 1.00 0.84 C ATOM 740 CG1 ILE A 133 53.006 6.427 4.456 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.266 7.153 3.679 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.343 6.884 3.156 1.00 0.96 C ATOM 0 H ILE A 133 53.013 7.878 6.865 1.00 0.78 H new ATOM 0 HA ILE A 133 55.180 5.935 6.130 1.00 0.73 H new ATOM 0 HB ILE A 133 53.880 8.373 4.789 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.334 5.391 4.365 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.288 6.463 5.275 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.846 7.424 2.710 1.00 1.14 H new ATOM 0 HG22 ILE A 133 56.120 7.795 3.896 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.591 6.113 3.656 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.491 6.240 2.936 1.00 0.96 H new ATOM 0 HD12 ILE A 133 52.001 7.913 3.264 1.00 0.96 H new ATOM 0 HD13 ILE A 133 53.063 6.825 2.340 1.00 0.96 H new ATOM 754 N GLU A 134 55.662 9.081 6.901 1.00 0.73 N ATOM 755 CA GLU A 134 56.754 10.029 7.266 1.00 0.77 C ATOM 756 C GLU A 134 57.625 9.434 8.374 1.00 0.70 C ATOM 757 O GLU A 134 58.815 9.670 8.435 1.00 0.68 O ATOM 758 CB GLU A 134 56.037 11.287 7.760 1.00 0.96 C ATOM 759 CG GLU A 134 55.834 12.250 6.590 1.00 0.95 C ATOM 760 CD GLU A 134 55.839 13.691 7.107 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.095 13.875 8.286 1.00 2.07 O ATOM 762 OE2 GLU A 134 55.586 14.584 6.315 1.00 2.27 O ATOM 0 H GLU A 134 54.716 9.448 7.004 1.00 0.73 H new ATOM 0 HA GLU A 134 57.415 10.241 6.426 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.075 11.022 8.198 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.622 11.768 8.544 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.625 12.114 5.852 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.890 12.036 6.088 1.00 0.95 H new ATOM 769 N GLU A 135 57.042 8.662 9.249 1.00 0.74 N ATOM 770 CA GLU A 135 57.839 8.051 10.351 1.00 0.76 C ATOM 771 C GLU A 135 58.451 6.726 9.889 1.00 0.66 C ATOM 772 O GLU A 135 59.539 6.361 10.287 1.00 0.74 O ATOM 773 CB GLU A 135 56.836 7.813 11.479 1.00 0.88 C ATOM 774 CG GLU A 135 56.217 9.148 11.901 1.00 1.20 C ATOM 775 CD GLU A 135 57.328 10.171 12.145 1.00 1.48 C ATOM 776 OE1 GLU A 135 58.358 9.784 12.670 1.00 1.95 O ATOM 777 OE2 GLU A 135 57.129 11.325 11.801 1.00 2.16 O ATOM 0 H GLU A 135 56.049 8.428 9.249 1.00 0.74 H new ATOM 0 HA GLU A 135 58.664 8.689 10.667 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.056 7.127 11.148 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.333 7.345 12.329 1.00 0.88 H new ATOM 0 HG2 GLU A 135 55.540 9.508 11.126 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.624 9.016 12.806 1.00 1.20 H new ATOM 784 N LEU A 136 57.760 6.003 9.050 1.00 0.62 N ATOM 785 CA LEU A 136 58.302 4.702 8.564 1.00 0.66 C ATOM 786 C LEU A 136 59.617 4.925 7.814 1.00 0.61 C ATOM 787 O LEU A 136 60.543 4.146 7.919 1.00 0.70 O ATOM 788 CB LEU A 136 57.231 4.155 7.619 1.00 0.77 C ATOM 789 CG LEU A 136 56.773 2.781 8.108 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.919 1.779 7.968 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.359 2.879 9.578 1.00 1.38 C ATOM 0 H LEU A 136 56.844 6.257 8.680 1.00 0.62 H new ATOM 0 HA LEU A 136 58.515 4.012 9.380 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.383 4.839 7.578 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.629 4.079 6.607 1.00 0.77 H new ATOM 0 HG LEU A 136 55.925 2.446 7.510 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.591 0.800 8.317 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.216 1.710 6.922 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.768 2.111 8.565 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.032 1.901 9.930 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.208 3.213 10.174 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.542 3.593 9.679 1.00 1.38 H new ATOM 803 N MET A 137 59.706 5.985 7.057 1.00 0.55 N ATOM 804 CA MET A 137 60.959 6.258 6.302 1.00 0.59 C ATOM 805 C MET A 137 62.016 6.862 7.231 1.00 0.65 C ATOM 806 O MET A 137 63.198 6.817 6.954 1.00 0.81 O ATOM 807 CB MET A 137 60.556 7.262 5.222 1.00 0.60 C ATOM 808 CG MET A 137 61.809 7.774 4.510 1.00 0.96 C ATOM 809 SD MET A 137 62.418 6.504 3.373 1.00 1.23 S ATOM 810 CE MET A 137 61.521 7.053 1.899 1.00 1.35 C ATOM 0 H MET A 137 58.964 6.673 6.930 1.00 0.55 H new ATOM 0 HA MET A 137 61.392 5.353 5.877 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.884 6.791 4.505 1.00 0.60 H new ATOM 0 HB3 MET A 137 60.013 8.095 5.669 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.581 8.688 3.962 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.579 8.023 5.240 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.643 6.318 1.104 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.462 7.159 2.136 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.917 8.013 1.569 1.00 1.35 H new ATOM 820 N LYS A 138 61.601 7.423 8.333 1.00 0.62 N ATOM 821 CA LYS A 138 62.584 8.025 9.280 1.00 0.79 C ATOM 822 C LYS A 138 63.522 6.943 9.819 1.00 0.86 C ATOM 823 O LYS A 138 64.726 7.108 9.848 1.00 1.16 O ATOM 824 CB LYS A 138 61.737 8.613 10.409 1.00 0.87 C ATOM 825 CG LYS A 138 62.261 10.005 10.767 1.00 1.55 C ATOM 826 CD LYS A 138 61.684 10.434 12.117 1.00 2.07 C ATOM 827 CE LYS A 138 62.702 11.306 12.856 1.00 2.85 C ATOM 828 NZ LYS A 138 61.908 12.041 13.878 1.00 3.36 N ATOM 0 H LYS A 138 60.624 7.491 8.619 1.00 0.62 H new ATOM 0 HA LYS A 138 63.209 8.781 8.805 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.693 8.674 10.101 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.774 7.963 11.283 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.350 9.995 10.811 1.00 1.55 H new ATOM 0 HG3 LYS A 138 61.980 10.721 9.995 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.756 10.987 11.968 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.440 9.556 12.715 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.478 10.699 13.321 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.201 11.994 12.174 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.537 12.661 14.426 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.181 12.616 13.406 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.450 11.360 14.517 1.00 3.36 H new ATOM 842 N ASP A 139 62.981 5.835 10.246 1.00 0.71 N ATOM 843 CA ASP A 139 63.840 4.741 10.780 1.00 0.85 C ATOM 844 C ASP A 139 64.329 3.849 9.635 1.00 0.85 C ATOM 845 O ASP A 139 65.153 2.976 9.824 1.00 1.02 O ATOM 846 CB ASP A 139 62.933 3.952 11.725 1.00 0.97 C ATOM 847 CG ASP A 139 63.780 3.000 12.572 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.865 3.396 12.967 1.00 1.80 O ATOM 849 OD2 ASP A 139 63.330 1.892 12.811 1.00 2.33 O ATOM 0 H ASP A 139 61.980 5.640 10.248 1.00 0.71 H new ATOM 0 HA ASP A 139 64.726 5.120 11.289 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.380 4.635 12.370 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.196 3.388 11.152 1.00 0.97 H new ATOM 854 N GLY A 140 63.829 4.065 8.449 1.00 0.81 N ATOM 855 CA GLY A 140 64.263 3.231 7.292 1.00 0.86 C ATOM 856 C GLY A 140 65.469 3.886 6.617 1.00 0.77 C ATOM 857 O GLY A 140 66.257 3.233 5.963 1.00 0.86 O ATOM 0 H GLY A 140 63.138 4.783 8.231 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.522 2.228 7.630 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.446 3.126 6.579 1.00 0.86 H new ATOM 861 N ASP A 141 65.620 5.173 6.770 1.00 0.70 N ATOM 862 CA ASP A 141 66.776 5.868 6.138 1.00 0.66 C ATOM 863 C ASP A 141 68.067 5.529 6.889 1.00 0.74 C ATOM 864 O ASP A 141 68.253 5.912 8.026 1.00 0.87 O ATOM 865 CB ASP A 141 66.456 7.358 6.259 1.00 0.66 C ATOM 866 CG ASP A 141 66.125 7.923 4.877 1.00 0.76 C ATOM 867 OD1 ASP A 141 65.587 7.184 4.070 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.417 9.086 4.649 1.00 0.83 O ATOM 0 H ASP A 141 64.993 5.773 7.305 1.00 0.70 H new ATOM 0 HA ASP A 141 66.925 5.569 5.101 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.614 7.506 6.935 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.306 7.890 6.687 1.00 0.66 H new ATOM 873 N LYS A 142 68.956 4.810 6.261 1.00 0.75 N ATOM 874 CA LYS A 142 70.233 4.443 6.940 1.00 0.87 C ATOM 875 C LYS A 142 71.124 5.678 7.099 1.00 0.89 C ATOM 876 O LYS A 142 72.033 5.698 7.906 1.00 1.05 O ATOM 877 CB LYS A 142 70.892 3.420 6.013 1.00 0.89 C ATOM 878 CG LYS A 142 71.745 2.458 6.842 1.00 1.24 C ATOM 879 CD LYS A 142 72.835 1.852 5.956 1.00 1.26 C ATOM 880 CE LYS A 142 72.807 0.328 6.082 1.00 1.55 C ATOM 881 NZ LYS A 142 73.136 -0.177 4.720 1.00 1.99 N ATOM 0 H LYS A 142 68.855 4.461 5.308 1.00 0.75 H new ATOM 0 HA LYS A 142 70.069 4.042 7.940 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.130 2.867 5.464 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.512 3.928 5.274 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.196 2.986 7.682 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.120 1.669 7.260 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.679 2.144 4.918 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.812 2.234 6.251 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.532 -0.021 6.818 1.00 1.55 H new ATOM 0 HE3 LYS A 142 71.828 -0.023 6.407 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.136 -1.217 4.726 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.426 0.165 4.042 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.076 0.168 4.440 1.00 1.99 H new ATOM 895 N ASN A 143 70.872 6.707 6.339 1.00 0.85 N ATOM 896 CA ASN A 143 71.705 7.939 6.450 1.00 1.05 C ATOM 897 C ASN A 143 70.807 9.175 6.546 1.00 1.07 C ATOM 898 O ASN A 143 71.278 10.292 6.625 1.00 1.56 O ATOM 899 CB ASN A 143 72.532 7.975 5.165 1.00 1.08 C ATOM 900 CG ASN A 143 71.598 7.919 3.955 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.419 8.190 4.070 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.077 7.576 2.791 1.00 1.48 N ATOM 0 H ASN A 143 70.125 6.749 5.645 1.00 0.85 H new ATOM 0 HA ASN A 143 72.335 7.934 7.339 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.133 8.884 5.132 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.225 7.134 5.142 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.462 7.535 1.978 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.067 7.348 2.694 1.00 1.48 H new ATOM 909 N ASN A 144 69.516 8.984 6.539 1.00 0.78 N ATOM 910 CA ASN A 144 68.588 10.147 6.629 1.00 0.82 C ATOM 911 C ASN A 144 68.979 11.215 5.605 1.00 0.82 C ATOM 912 O ASN A 144 69.567 12.225 5.939 1.00 0.92 O ATOM 913 CB ASN A 144 68.758 10.676 8.054 1.00 0.95 C ATOM 914 CG ASN A 144 68.521 9.540 9.052 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.640 8.725 8.864 1.00 2.28 O ATOM 916 ND2 ASN A 144 69.277 9.451 10.112 1.00 1.93 N ATOM 0 H ASN A 144 69.063 8.072 6.475 1.00 0.78 H new ATOM 0 HA ASN A 144 67.555 9.872 6.418 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.760 11.086 8.184 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.055 11.488 8.238 1.00 0.95 H new ATOM 0 HD21 ASN A 144 69.128 8.697 10.783 1.00 1.93 H new ATOM 0 HD22 ASN A 144 70.017 10.135 10.270 1.00 1.93 H new ATOM 923 N ASP A 145 68.659 10.998 4.358 1.00 0.75 N ATOM 924 CA ASP A 145 69.013 11.999 3.311 1.00 0.78 C ATOM 925 C ASP A 145 67.760 12.430 2.543 1.00 0.74 C ATOM 926 O ASP A 145 67.783 13.373 1.779 1.00 0.81 O ATOM 927 CB ASP A 145 69.987 11.273 2.383 1.00 0.76 C ATOM 928 CG ASP A 145 69.222 10.258 1.531 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.866 9.218 2.059 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.007 10.539 0.363 1.00 1.85 O ATOM 0 H ASP A 145 68.168 10.171 4.019 1.00 0.75 H new ATOM 0 HA ASP A 145 69.450 12.903 3.736 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.497 11.991 1.741 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.755 10.767 2.968 1.00 0.76 H new ATOM 935 N GLY A 146 66.667 11.744 2.740 1.00 0.69 N ATOM 936 CA GLY A 146 65.414 12.114 2.019 1.00 0.70 C ATOM 937 C GLY A 146 64.967 10.947 1.137 1.00 0.58 C ATOM 938 O GLY A 146 63.795 10.642 1.042 1.00 0.62 O ATOM 0 H GLY A 146 66.587 10.944 3.368 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.631 12.363 2.735 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.582 13.001 1.408 1.00 0.70 H new ATOM 942 N ARG A 147 65.891 10.290 0.491 1.00 0.54 N ATOM 943 CA ARG A 147 65.513 9.141 -0.381 1.00 0.49 C ATOM 944 C ARG A 147 66.172 7.856 0.122 1.00 0.44 C ATOM 945 O ARG A 147 66.951 7.868 1.055 1.00 0.56 O ATOM 946 CB ARG A 147 66.037 9.498 -1.773 1.00 0.57 C ATOM 947 CG ARG A 147 67.451 10.070 -1.662 1.00 0.78 C ATOM 948 CD ARG A 147 68.021 10.297 -3.063 1.00 0.73 C ATOM 949 NE ARG A 147 68.307 11.757 -3.126 1.00 1.07 N ATOM 950 CZ ARG A 147 68.153 12.406 -4.248 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.285 11.783 -5.387 1.00 2.22 N ATOM 952 NH2 ARG A 147 67.867 13.679 -4.231 1.00 2.32 N ATOM 0 H ARG A 147 66.889 10.498 0.529 1.00 0.54 H new ATOM 0 HA ARG A 147 64.437 8.969 -0.385 1.00 0.49 H new ATOM 0 HB2 ARG A 147 66.042 8.612 -2.408 1.00 0.57 H new ATOM 0 HB3 ARG A 147 65.376 10.225 -2.245 1.00 0.57 H new ATOM 0 HG2 ARG A 147 67.432 11.009 -1.109 1.00 0.78 H new ATOM 0 HG3 ARG A 147 68.089 9.384 -1.105 1.00 0.78 H new ATOM 0 HD2 ARG A 147 68.925 9.710 -3.222 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.309 10.000 -3.833 1.00 0.73 H new ATOM 0 HE ARG A 147 68.624 12.251 -2.291 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.509 10.788 -5.401 1.00 2.22 H new ATOM 0 HH12 ARG A 147 68.164 12.291 -6.263 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.764 14.167 -3.341 1.00 2.32 H new ATOM 0 HH22 ARG A 147 67.747 14.186 -5.108 1.00 2.32 H new ATOM 966 N ILE A 148 65.865 6.748 -0.491 1.00 0.35 N ATOM 967 CA ILE A 148 66.470 5.458 -0.056 1.00 0.36 C ATOM 968 C ILE A 148 67.037 4.713 -1.271 1.00 0.40 C ATOM 969 O ILE A 148 66.486 4.760 -2.353 1.00 0.41 O ATOM 970 CB ILE A 148 65.315 4.681 0.590 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.227 5.054 2.072 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.551 3.171 0.461 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.171 4.185 2.758 1.00 0.40 C ATOM 0 H ILE A 148 65.219 6.679 -1.277 1.00 0.35 H new ATOM 0 HA ILE A 148 67.298 5.590 0.640 1.00 0.36 H new ATOM 0 HB ILE A 148 64.385 4.938 0.083 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.196 4.913 2.551 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.970 6.108 2.178 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.724 2.633 0.924 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.615 2.901 -0.593 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.482 2.904 0.961 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.110 4.452 3.813 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.202 4.348 2.285 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.448 3.135 2.665 1.00 0.40 H new ATOM 985 N ASP A 149 68.129 4.022 -1.096 1.00 0.47 N ATOM 986 CA ASP A 149 68.728 3.270 -2.238 1.00 0.55 C ATOM 987 C ASP A 149 68.609 1.763 -1.992 1.00 0.58 C ATOM 988 O ASP A 149 67.840 1.323 -1.163 1.00 0.54 O ATOM 989 CB ASP A 149 70.199 3.697 -2.285 1.00 0.65 C ATOM 990 CG ASP A 149 70.765 3.787 -0.865 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.234 2.777 -0.370 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.719 4.866 -0.299 1.00 2.00 O ATOM 0 H ASP A 149 68.633 3.944 -0.213 1.00 0.47 H new ATOM 0 HA ASP A 149 68.222 3.482 -3.180 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.775 2.980 -2.870 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.290 4.662 -2.783 1.00 0.65 H new ATOM 997 N TYR A 150 69.356 0.969 -2.708 1.00 0.67 N ATOM 998 CA TYR A 150 69.274 -0.508 -2.512 1.00 0.73 C ATOM 999 C TYR A 150 69.803 -0.893 -1.127 1.00 0.75 C ATOM 1000 O TYR A 150 69.509 -1.955 -0.615 1.00 0.76 O ATOM 1001 CB TYR A 150 70.157 -1.106 -3.607 1.00 0.84 C ATOM 1002 CG TYR A 150 70.150 -2.611 -3.492 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.000 -3.274 -3.049 1.00 1.74 C ATOM 1004 CD2 TYR A 150 71.294 -3.345 -3.828 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.993 -4.670 -2.942 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.287 -4.741 -3.721 1.00 2.06 C ATOM 1007 CZ TYR A 150 70.136 -5.404 -3.277 1.00 2.02 C ATOM 1008 OH TYR A 150 70.130 -6.779 -3.172 1.00 2.63 O ATOM 0 H TYR A 150 70.019 1.277 -3.419 1.00 0.67 H new ATOM 0 HA TYR A 150 68.248 -0.872 -2.571 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.792 -0.804 -4.589 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.175 -0.728 -3.515 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.117 -2.708 -2.789 1.00 1.74 H new ATOM 0 HD2 TYR A 150 72.182 -2.834 -4.170 1.00 1.63 H new ATOM 0 HE1 TYR A 150 68.105 -5.181 -2.601 1.00 2.14 H new ATOM 0 HE2 TYR A 150 72.169 -5.307 -3.981 1.00 2.06 H new ATOM 0 HH TYR A 150 71.003 -7.132 -3.445 1.00 2.63 H new ATOM 1018 N ASP A 151 70.579 -0.041 -0.519 1.00 0.78 N ATOM 1019 CA ASP A 151 71.125 -0.361 0.832 1.00 0.82 C ATOM 1020 C ASP A 151 70.143 0.078 1.920 1.00 0.74 C ATOM 1021 O ASP A 151 69.766 -0.693 2.781 1.00 0.76 O ATOM 1022 CB ASP A 151 72.428 0.435 0.933 1.00 0.87 C ATOM 1023 CG ASP A 151 73.619 -0.517 0.828 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.558 -1.423 0.012 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.574 -0.326 1.564 1.00 2.08 O ATOM 0 H ASP A 151 70.860 0.864 -0.898 1.00 0.78 H new ATOM 0 HA ASP A 151 71.289 -1.430 0.966 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.474 1.180 0.138 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.464 0.975 1.879 1.00 0.87 H new ATOM 1030 N GLU A 152 69.723 1.313 1.889 1.00 0.67 N ATOM 1031 CA GLU A 152 68.765 1.805 2.921 1.00 0.61 C ATOM 1032 C GLU A 152 67.428 1.067 2.792 1.00 0.58 C ATOM 1033 O GLU A 152 66.708 0.892 3.755 1.00 0.58 O ATOM 1034 CB GLU A 152 68.593 3.296 2.624 1.00 0.59 C ATOM 1035 CG GLU A 152 69.967 3.945 2.440 1.00 0.76 C ATOM 1036 CD GLU A 152 69.848 5.459 2.624 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.825 5.898 3.763 1.00 1.20 O ATOM 1038 OE2 GLU A 152 69.781 6.154 1.624 1.00 1.39 O ATOM 0 H GLU A 152 70.002 2.004 1.193 1.00 0.67 H new ATOM 0 HA GLU A 152 69.123 1.634 3.936 1.00 0.61 H new ATOM 0 HB2 GLU A 152 67.993 3.431 1.724 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.057 3.780 3.440 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.674 3.535 3.162 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.357 3.719 1.448 1.00 0.76 H new ATOM 1045 N PHE A 153 67.096 0.629 1.608 1.00 0.60 N ATOM 1046 CA PHE A 153 65.812 -0.105 1.411 1.00 0.61 C ATOM 1047 C PHE A 153 65.936 -1.530 1.962 1.00 0.66 C ATOM 1048 O PHE A 153 65.072 -2.011 2.667 1.00 0.71 O ATOM 1049 CB PHE A 153 65.602 -0.116 -0.110 1.00 0.64 C ATOM 1050 CG PHE A 153 64.709 -1.269 -0.509 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.235 -2.564 -0.590 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.360 -1.043 -0.802 1.00 1.47 C ATOM 1053 CE1 PHE A 153 64.413 -3.632 -0.964 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.536 -2.113 -1.176 1.00 1.55 C ATOM 1055 CZ PHE A 153 63.063 -3.407 -1.257 1.00 0.93 C ATOM 0 H PHE A 153 67.660 0.748 0.766 1.00 0.60 H new ATOM 0 HA PHE A 153 64.974 0.358 1.931 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.155 0.826 -0.429 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.564 -0.200 -0.616 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.276 -2.738 -0.363 1.00 1.18 H new ATOM 0 HD2 PHE A 153 62.954 -0.044 -0.740 1.00 1.47 H new ATOM 0 HE1 PHE A 153 64.820 -4.630 -1.027 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.494 -1.939 -1.402 1.00 1.55 H new ATOM 0 HZ PHE A 153 62.428 -4.232 -1.546 1.00 0.93 H new ATOM 1065 N LEU A 154 67.004 -2.205 1.641 1.00 0.72 N ATOM 1066 CA LEU A 154 67.185 -3.597 2.141 1.00 0.80 C ATOM 1067 C LEU A 154 66.793 -3.689 3.618 1.00 0.79 C ATOM 1068 O LEU A 154 66.044 -4.557 4.017 1.00 0.82 O ATOM 1069 CB LEU A 154 68.674 -3.889 1.963 1.00 0.92 C ATOM 1070 CG LEU A 154 68.859 -4.962 0.890 1.00 0.85 C ATOM 1071 CD1 LEU A 154 70.248 -4.823 0.265 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.722 -6.346 1.527 1.00 1.54 C ATOM 0 H LEU A 154 67.760 -1.853 1.054 1.00 0.72 H new ATOM 0 HA LEU A 154 66.560 -4.311 1.605 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.202 -2.979 1.677 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.105 -4.225 2.906 1.00 0.92 H new ATOM 0 HG LEU A 154 68.100 -4.840 0.118 1.00 0.85 H new ATOM 0 HD11 LEU A 154 70.381 -5.588 -0.500 1.00 1.74 H new ATOM 0 HD12 LEU A 154 70.346 -3.836 -0.187 1.00 1.74 H new ATOM 0 HD13 LEU A 154 71.008 -4.946 1.037 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.854 -7.113 0.763 1.00 1.54 H new ATOM 0 HD22 LEU A 154 69.482 -6.468 2.299 1.00 1.54 H new ATOM 0 HD23 LEU A 154 67.733 -6.445 1.973 1.00 1.54 H new ATOM 1084 N GLU A 155 67.294 -2.800 4.432 1.00 0.79 N ATOM 1085 CA GLU A 155 66.952 -2.841 5.883 1.00 0.82 C ATOM 1086 C GLU A 155 65.480 -2.471 6.096 1.00 0.81 C ATOM 1087 O GLU A 155 64.794 -3.061 6.906 1.00 0.90 O ATOM 1088 CB GLU A 155 67.867 -1.802 6.534 1.00 0.85 C ATOM 1089 CG GLU A 155 68.338 -2.318 7.896 1.00 0.95 C ATOM 1090 CD GLU A 155 68.019 -1.280 8.973 1.00 1.67 C ATOM 1091 OE1 GLU A 155 68.414 -0.139 8.804 1.00 2.47 O ATOM 1092 OE2 GLU A 155 67.384 -1.645 9.949 1.00 2.27 O ATOM 0 H GLU A 155 67.925 -2.048 4.156 1.00 0.79 H new ATOM 0 HA GLU A 155 67.091 -3.834 6.311 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.725 -1.604 5.892 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.335 -0.858 6.655 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.846 -3.262 8.129 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.410 -2.515 7.871 1.00 0.95 H new ATOM 1099 N PHE A 156 64.991 -1.499 5.374 1.00 0.75 N ATOM 1100 CA PHE A 156 63.565 -1.096 5.539 1.00 0.78 C ATOM 1101 C PHE A 156 62.663 -2.334 5.533 1.00 0.84 C ATOM 1102 O PHE A 156 62.018 -2.648 6.515 1.00 0.90 O ATOM 1103 CB PHE A 156 63.262 -0.205 4.331 1.00 0.78 C ATOM 1104 CG PHE A 156 62.101 0.708 4.650 1.00 0.85 C ATOM 1105 CD1 PHE A 156 60.931 0.183 5.214 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.192 2.081 4.383 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.855 1.028 5.509 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.115 2.925 4.679 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.947 2.399 5.242 1.00 1.10 C ATOM 0 H PHE A 156 65.516 -0.968 4.679 1.00 0.75 H new ATOM 0 HA PHE A 156 63.388 -0.578 6.482 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.141 0.385 4.073 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.025 -0.821 3.463 1.00 0.78 H new ATOM 0 HD1 PHE A 156 60.859 -0.874 5.421 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.093 2.488 3.949 1.00 1.27 H new ATOM 0 HE1 PHE A 156 58.953 0.622 5.943 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.186 3.983 4.473 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.117 3.051 5.471 1.00 1.10 H new ATOM 1119 N MET A 157 62.609 -3.036 4.436 1.00 0.86 N ATOM 1120 CA MET A 157 61.745 -4.251 4.367 1.00 0.95 C ATOM 1121 C MET A 157 62.256 -5.328 5.328 1.00 0.99 C ATOM 1122 O MET A 157 61.531 -6.221 5.714 1.00 1.12 O ATOM 1123 CB MET A 157 61.854 -4.730 2.919 1.00 0.99 C ATOM 1124 CG MET A 157 60.469 -5.134 2.410 1.00 1.28 C ATOM 1125 SD MET A 157 59.366 -3.702 2.460 1.00 1.48 S ATOM 1126 CE MET A 157 60.426 -2.565 1.534 1.00 1.12 C ATOM 0 H MET A 157 63.125 -2.822 3.583 1.00 0.86 H new ATOM 0 HA MET A 157 60.715 -4.039 4.653 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.267 -3.939 2.293 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.538 -5.576 2.855 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.541 -5.515 1.391 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.065 -5.939 3.024 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.889 -1.634 1.351 1.00 1.12 H new ATOM 0 HE2 MET A 157 61.327 -2.357 2.111 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.701 -3.018 0.582 1.00 1.12 H new ATOM 1136 N LYS A 158 63.500 -5.254 5.715 1.00 0.94 N ATOM 1137 CA LYS A 158 64.050 -6.279 6.650 1.00 1.02 C ATOM 1138 C LYS A 158 63.327 -6.211 7.998 1.00 1.05 C ATOM 1139 O LYS A 158 62.983 -7.220 8.579 1.00 1.20 O ATOM 1140 CB LYS A 158 65.526 -5.916 6.815 1.00 1.07 C ATOM 1141 CG LYS A 158 66.342 -7.189 7.042 1.00 1.26 C ATOM 1142 CD LYS A 158 67.833 -6.862 6.954 1.00 1.53 C ATOM 1143 CE LYS A 158 68.497 -7.778 5.924 1.00 1.45 C ATOM 1144 NZ LYS A 158 69.940 -7.409 5.953 1.00 2.07 N ATOM 0 H LYS A 158 64.159 -4.531 5.426 1.00 0.94 H new ATOM 0 HA LYS A 158 63.920 -7.293 6.271 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.885 -5.395 5.927 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.652 -5.235 7.657 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.109 -7.614 8.019 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.079 -7.940 6.297 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.971 -5.819 6.671 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.303 -6.993 7.929 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.353 -8.828 6.179 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.072 -7.630 4.931 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 70.462 -7.996 5.271 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 70.047 -6.406 5.700 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 70.320 -7.567 6.908 1.00 2.07 H new ATOM 1158 N GLY A 159 63.094 -5.028 8.498 1.00 1.04 N ATOM 1159 CA GLY A 159 62.395 -4.899 9.808 1.00 1.14 C ATOM 1160 C GLY A 159 60.991 -4.330 9.585 1.00 1.14 C ATOM 1161 O GLY A 159 60.424 -3.697 10.454 1.00 1.38 O ATOM 0 H GLY A 159 63.357 -4.147 8.057 1.00 1.04 H new ATOM 0 HA2 GLY A 159 62.331 -5.872 10.295 1.00 1.14 H new ATOM 0 HA3 GLY A 159 62.962 -4.246 10.472 1.00 1.14 H new ATOM 1165 N VAL A 160 60.429 -4.549 8.429 1.00 1.42 N ATOM 1166 CA VAL A 160 59.064 -4.019 8.152 1.00 1.48 C ATOM 1167 C VAL A 160 58.172 -5.124 7.578 1.00 1.88 C ATOM 1168 O VAL A 160 57.054 -4.883 7.169 1.00 2.37 O ATOM 1169 CB VAL A 160 59.280 -2.907 7.124 1.00 1.32 C ATOM 1170 CG1 VAL A 160 57.953 -2.567 6.444 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.823 -1.664 7.831 1.00 1.49 C ATOM 0 H VAL A 160 60.855 -5.072 7.664 1.00 1.42 H new ATOM 0 HA VAL A 160 58.568 -3.653 9.051 1.00 1.48 H new ATOM 0 HB VAL A 160 59.993 -3.243 6.372 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.112 -1.775 5.713 1.00 1.35 H new ATOM 0 HG12 VAL A 160 57.564 -3.453 5.941 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.236 -2.231 7.193 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.978 -0.869 7.101 1.00 1.49 H new ATOM 0 HG22 VAL A 160 59.108 -1.332 8.583 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.771 -1.904 8.313 1.00 1.49 H new ATOM 1181 N GLU A 161 58.661 -6.334 7.544 1.00 2.17 N ATOM 1182 CA GLU A 161 57.842 -7.455 6.997 1.00 2.67 C ATOM 1183 C GLU A 161 58.132 -8.746 7.769 1.00 3.21 C ATOM 1184 O GLU A 161 58.048 -9.803 7.167 1.00 3.74 O ATOM 1185 CB GLU A 161 58.281 -7.591 5.539 1.00 3.19 C ATOM 1186 CG GLU A 161 57.049 -7.742 4.645 1.00 3.64 C ATOM 1187 CD GLU A 161 57.057 -9.127 3.994 1.00 4.40 C ATOM 1188 OE1 GLU A 161 57.694 -10.013 4.541 1.00 5.03 O ATOM 1189 OE2 GLU A 161 56.427 -9.277 2.961 1.00 4.73 O ATOM 1190 OXT GLU A 161 58.433 -8.653 8.947 1.00 3.58 O ATOM 0 H GLU A 161 59.591 -6.595 7.871 1.00 2.17 H new ATOM 0 HA GLU A 161 56.772 -7.267 7.084 1.00 2.67 H new ATOM 0 HB2 GLU A 161 58.856 -6.715 5.238 1.00 3.19 H new ATOM 0 HB3 GLU A 161 58.934 -8.456 5.424 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.141 -7.610 5.234 1.00 3.64 H new ATOM 0 HG3 GLU A 161 57.046 -6.968 3.878 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 62.727 6.946 -7.373 1.00 0.50 CA HETATM 1199 CA CA A 2 67.970 7.589 3.141 1.00 0.74 CA