USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 26 HIS : no HE2:sc= -15.9! C(o=-23!,f=-25!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -6.73! C(o=-23!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= -0.83 (180deg=-1.47) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00063) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 164:sc= -1.18 (180deg=-2.35) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -150:sc= -1.52 USER MOD Single : A 15 TYR OH : rot 177:sc= -2.07 USER MOD Single : A 20 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.8!) USER MOD Single : A 21 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 22 SER OG : rot 150:sc= 0.455 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.579 (180deg=-2.54!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.028) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 150:sc= 0.673 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.122 (180deg=-0.564) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 115:sc= -3.5! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 151:sc= -0.817 (180deg=-2.56) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.126) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 172:sc= -1.07 (180deg=-1.14) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -107:sc= -0.167 (180deg=-2.48) USER MOD Single : A 75 LYS NZ :NH3+ -115:sc= -1.5 (180deg=-3.72!) USER MOD Single : A 76 THR OG1 : rot -65:sc= 0.0182 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -0.264 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.836 -22.980 4.264 1.00 0.00 N ATOM 2 CA GLY A 1 -12.872 -23.854 3.536 1.00 0.00 C ATOM 3 C GLY A 1 -12.575 -23.266 2.157 1.00 0.00 C ATOM 4 O GLY A 1 -11.477 -22.821 1.891 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.033 -23.386 5.201 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.427 -22.031 4.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.721 -22.913 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.949 -23.947 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.285 -24.857 3.432 1.00 0.00 H new ATOM 10 N LYS A 2 -13.564 -23.274 1.308 1.00 0.00 N ATOM 11 CA LYS A 2 -13.364 -22.724 -0.053 1.00 0.00 C ATOM 12 C LYS A 2 -13.325 -21.194 -0.020 1.00 0.00 C ATOM 13 O LYS A 2 -14.045 -20.567 0.734 1.00 0.00 O ATOM 14 CB LYS A 2 -14.534 -23.194 -0.943 1.00 0.00 C ATOM 15 CG LYS A 2 -15.839 -23.156 -0.135 1.00 0.00 C ATOM 16 CD LYS A 2 -17.040 -23.252 -1.091 1.00 0.00 C ATOM 17 CE LYS A 2 -16.859 -24.441 -2.054 1.00 0.00 C ATOM 18 NZ LYS A 2 -16.429 -25.669 -1.319 1.00 0.00 N ATOM 0 H LYS A 2 -14.498 -23.637 1.500 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.413 -23.079 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.618 -22.553 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.347 -24.205 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.862 -23.981 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.894 -22.234 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.960 -23.374 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.137 -22.326 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.796 -24.636 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.118 -24.189 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.934 -26.495 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.405 -25.804 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.648 -25.563 -0.308 1.00 0.00 H new ATOM 32 N GLY A 3 -12.474 -20.629 -0.844 1.00 0.00 N ATOM 33 CA GLY A 3 -12.356 -19.135 -0.894 1.00 0.00 C ATOM 34 C GLY A 3 -10.973 -18.742 -1.426 1.00 0.00 C ATOM 35 O GLY A 3 -9.967 -19.239 -0.959 1.00 0.00 O ATOM 0 H GLY A 3 -11.859 -21.134 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.134 -18.721 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.506 -18.715 0.101 1.00 0.00 H new ATOM 39 N ASP A 4 -10.949 -17.856 -2.395 1.00 0.00 N ATOM 40 CA ASP A 4 -9.637 -17.432 -2.960 1.00 0.00 C ATOM 41 C ASP A 4 -8.934 -16.429 -2.007 1.00 0.00 C ATOM 42 O ASP A 4 -9.596 -15.673 -1.324 1.00 0.00 O ATOM 43 CB ASP A 4 -9.899 -16.725 -4.305 1.00 0.00 C ATOM 44 CG ASP A 4 -10.922 -17.527 -5.112 1.00 0.00 C ATOM 45 OD1 ASP A 4 -10.956 -18.730 -4.902 1.00 0.00 O ATOM 46 OD2 ASP A 4 -11.609 -16.893 -5.895 1.00 0.00 O ATOM 0 H ASP A 4 -11.770 -17.417 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.000 -18.307 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.269 -15.715 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.969 -16.632 -4.866 1.00 0.00 H new ATOM 51 N PRO A 5 -7.592 -16.434 -1.973 1.00 0.00 N ATOM 52 CA PRO A 5 -6.862 -15.511 -1.098 1.00 0.00 C ATOM 53 C PRO A 5 -7.073 -14.058 -1.538 1.00 0.00 C ATOM 54 O PRO A 5 -6.700 -13.133 -0.842 1.00 0.00 O ATOM 55 CB PRO A 5 -5.358 -15.907 -1.266 1.00 0.00 C ATOM 56 CG PRO A 5 -5.285 -16.916 -2.459 1.00 0.00 C ATOM 57 CD PRO A 5 -6.741 -17.340 -2.778 1.00 0.00 C ATOM 0 HA PRO A 5 -7.202 -15.579 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.747 -15.027 -1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.974 -16.361 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.818 -16.453 -3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.679 -17.783 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.956 -17.241 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.915 -18.383 -2.513 1.00 0.00 H new ATOM 65 N LYS A 6 -7.666 -13.893 -2.684 1.00 0.00 N ATOM 66 CA LYS A 6 -7.912 -12.520 -3.195 1.00 0.00 C ATOM 67 C LYS A 6 -9.085 -11.857 -2.491 1.00 0.00 C ATOM 68 O LYS A 6 -9.245 -10.654 -2.555 1.00 0.00 O ATOM 69 CB LYS A 6 -8.232 -12.606 -4.706 1.00 0.00 C ATOM 70 CG LYS A 6 -7.266 -13.582 -5.395 1.00 0.00 C ATOM 71 CD LYS A 6 -5.829 -13.069 -5.243 1.00 0.00 C ATOM 72 CE LYS A 6 -4.908 -13.851 -6.188 1.00 0.00 C ATOM 73 NZ LYS A 6 -3.550 -13.236 -6.221 1.00 0.00 N ATOM 0 H LYS A 6 -7.990 -14.648 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.019 -11.923 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.260 -12.938 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.149 -11.619 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.358 -14.574 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.520 -13.678 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.785 -12.004 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.496 -13.187 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.836 -14.888 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.333 -13.863 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.939 -13.778 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.622 -12.254 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.141 -13.247 -5.265 1.00 0.00 H new ATOM 87 N LYS A 7 -9.887 -12.639 -1.834 1.00 0.00 N ATOM 88 CA LYS A 7 -11.044 -12.047 -1.132 1.00 0.00 C ATOM 89 C LYS A 7 -10.567 -10.970 -0.119 1.00 0.00 C ATOM 90 O LYS A 7 -9.441 -11.011 0.338 1.00 0.00 O ATOM 91 CB LYS A 7 -11.811 -13.191 -0.413 1.00 0.00 C ATOM 92 CG LYS A 7 -12.972 -13.671 -1.324 1.00 0.00 C ATOM 93 CD LYS A 7 -13.454 -15.068 -0.878 1.00 0.00 C ATOM 94 CE LYS A 7 -14.919 -15.260 -1.298 1.00 0.00 C ATOM 95 NZ LYS A 7 -15.325 -16.687 -1.150 1.00 0.00 N ATOM 0 H LYS A 7 -9.791 -13.651 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.707 -11.554 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.136 -14.019 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.202 -12.840 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.798 -12.961 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.640 -13.707 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.831 -15.841 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.358 -15.170 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.564 -14.628 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.051 -14.944 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.323 -16.794 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.733 -17.282 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.203 -16.982 -0.160 1.00 0.00 H new ATOM 109 N PRO A 8 -11.450 -10.013 0.221 1.00 0.00 N ATOM 110 CA PRO A 8 -11.096 -8.951 1.167 1.00 0.00 C ATOM 111 C PRO A 8 -10.462 -9.511 2.458 1.00 0.00 C ATOM 112 O PRO A 8 -11.151 -9.945 3.363 1.00 0.00 O ATOM 113 CB PRO A 8 -12.445 -8.202 1.456 1.00 0.00 C ATOM 114 CG PRO A 8 -13.516 -8.794 0.473 1.00 0.00 C ATOM 115 CD PRO A 8 -12.840 -9.961 -0.290 1.00 0.00 C ATOM 0 HA PRO A 8 -10.340 -8.282 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.751 -8.345 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.331 -7.129 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.389 -9.147 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.864 -8.030 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.360 -10.902 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.857 -9.789 -1.366 1.00 0.00 H new ATOM 123 N ARG A 9 -9.137 -9.484 2.489 1.00 0.00 N ATOM 124 CA ARG A 9 -8.375 -9.994 3.681 1.00 0.00 C ATOM 125 C ARG A 9 -7.911 -8.826 4.547 1.00 0.00 C ATOM 126 O ARG A 9 -6.737 -8.517 4.622 1.00 0.00 O ATOM 127 CB ARG A 9 -7.144 -10.772 3.161 1.00 0.00 C ATOM 128 CG ARG A 9 -6.538 -10.025 1.963 1.00 0.00 C ATOM 129 CD ARG A 9 -5.119 -10.544 1.710 1.00 0.00 C ATOM 130 NE ARG A 9 -5.147 -12.035 1.666 1.00 0.00 N ATOM 131 CZ ARG A 9 -4.074 -12.683 1.297 1.00 0.00 C ATOM 132 NH1 ARG A 9 -3.006 -12.004 0.974 1.00 0.00 N ATOM 133 NH2 ARG A 9 -4.106 -13.986 1.261 1.00 0.00 N ATOM 0 H ARG A 9 -8.553 -9.127 1.732 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.013 -10.640 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.403 -10.873 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.435 -11.780 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.155 -10.173 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.516 -8.953 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.735 -10.147 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.448 -10.203 2.498 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.994 -12.543 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.019 -10.985 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.159 -12.493 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.959 -14.483 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.278 -14.509 0.975 1.00 0.00 H new ATOM 147 N GLY A 10 -8.847 -8.189 5.182 1.00 0.00 N ATOM 148 CA GLY A 10 -8.484 -7.043 6.041 1.00 0.00 C ATOM 149 C GLY A 10 -8.119 -5.845 5.172 1.00 0.00 C ATOM 150 O GLY A 10 -7.026 -5.773 4.646 1.00 0.00 O ATOM 0 H GLY A 10 -9.841 -8.412 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.317 -6.789 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.644 -7.309 6.682 1.00 0.00 H new ATOM 154 N LYS A 11 -9.058 -4.943 5.029 1.00 0.00 N ATOM 155 CA LYS A 11 -8.803 -3.728 4.194 1.00 0.00 C ATOM 156 C LYS A 11 -7.461 -3.074 4.571 1.00 0.00 C ATOM 157 O LYS A 11 -7.354 -2.357 5.546 1.00 0.00 O ATOM 158 CB LYS A 11 -9.979 -2.688 4.374 1.00 0.00 C ATOM 159 CG LYS A 11 -10.900 -3.069 5.554 1.00 0.00 C ATOM 160 CD LYS A 11 -10.130 -2.929 6.885 1.00 0.00 C ATOM 161 CE LYS A 11 -11.126 -2.837 8.048 1.00 0.00 C ATOM 162 NZ LYS A 11 -10.412 -2.547 9.321 1.00 0.00 N ATOM 0 H LYS A 11 -9.985 -4.994 5.451 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.754 -4.036 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.564 -1.694 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.565 -2.638 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.780 -2.426 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.255 -4.093 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.469 -3.784 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.500 -2.040 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.858 -2.054 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.677 -3.773 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.100 -2.488 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.731 -3.308 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.906 -1.642 9.237 1.00 0.00 H new ATOM 176 N MET A 12 -6.475 -3.356 3.767 1.00 0.00 N ATOM 177 CA MET A 12 -5.116 -2.798 4.002 1.00 0.00 C ATOM 178 C MET A 12 -5.133 -1.277 4.149 1.00 0.00 C ATOM 179 O MET A 12 -6.107 -0.628 3.822 1.00 0.00 O ATOM 180 CB MET A 12 -4.266 -3.152 2.760 1.00 0.00 C ATOM 181 CG MET A 12 -3.715 -4.574 2.887 1.00 0.00 C ATOM 182 SD MET A 12 -3.090 -5.346 1.376 1.00 0.00 S ATOM 183 CE MET A 12 -2.371 -3.854 0.637 1.00 0.00 C ATOM 0 H MET A 12 -6.555 -3.957 2.947 1.00 0.00 H new ATOM 0 HA MET A 12 -4.716 -3.216 4.926 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.873 -3.068 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.444 -2.443 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.909 -4.561 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.504 -5.209 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.687 -4.138 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.167 -3.230 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.827 -3.296 1.399 1.00 0.00 H new ATOM 193 N SER A 13 -4.025 -0.749 4.642 1.00 0.00 N ATOM 194 CA SER A 13 -3.904 0.723 4.834 1.00 0.00 C ATOM 195 C SER A 13 -3.325 1.348 3.564 1.00 0.00 C ATOM 196 O SER A 13 -3.026 0.649 2.624 1.00 0.00 O ATOM 197 CB SER A 13 -2.940 0.977 6.013 1.00 0.00 C ATOM 198 OG SER A 13 -3.228 -0.071 6.928 1.00 0.00 O ATOM 0 H SER A 13 -3.203 -1.286 4.917 1.00 0.00 H new ATOM 0 HA SER A 13 -4.880 1.162 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.899 0.949 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.109 1.956 6.462 1.00 0.00 H new ATOM 0 HG SER A 13 -2.651 0.015 7.716 1.00 0.00 H new ATOM 204 N SER A 14 -3.158 2.636 3.554 1.00 0.00 N ATOM 205 CA SER A 14 -2.604 3.270 2.344 1.00 0.00 C ATOM 206 C SER A 14 -1.144 2.908 2.160 1.00 0.00 C ATOM 207 O SER A 14 -0.659 2.836 1.046 1.00 0.00 O ATOM 208 CB SER A 14 -2.732 4.790 2.500 1.00 0.00 C ATOM 209 OG SER A 14 -2.588 5.288 1.186 1.00 0.00 O ATOM 0 H SER A 14 -3.380 3.267 4.324 1.00 0.00 H new ATOM 0 HA SER A 14 -3.154 2.919 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.696 5.066 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.964 5.188 3.163 1.00 0.00 H new ATOM 0 HG SER A 14 -2.189 6.182 1.217 1.00 0.00 H new ATOM 215 N TYR A 15 -0.465 2.682 3.248 1.00 0.00 N ATOM 216 CA TYR A 15 0.965 2.321 3.140 1.00 0.00 C ATOM 217 C TYR A 15 1.090 0.886 2.681 1.00 0.00 C ATOM 218 O TYR A 15 1.820 0.589 1.773 1.00 0.00 O ATOM 219 CB TYR A 15 1.642 2.459 4.530 1.00 0.00 C ATOM 220 CG TYR A 15 3.020 1.749 4.508 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.877 1.885 3.420 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.391 0.915 5.537 1.00 0.00 C ATOM 223 CE1 TYR A 15 5.061 1.201 3.373 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.586 0.229 5.482 1.00 0.00 C ATOM 225 CZ TYR A 15 5.426 0.367 4.398 1.00 0.00 C ATOM 226 OH TYR A 15 6.587 -0.350 4.325 1.00 0.00 O ATOM 0 H TYR A 15 -0.837 2.732 4.196 1.00 0.00 H new ATOM 0 HA TYR A 15 1.448 2.985 2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.768 3.512 4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.008 2.021 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.604 2.538 2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.743 0.797 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.714 1.319 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.866 -0.423 6.296 1.00 0.00 H new ATOM 0 HH TYR A 15 6.715 -0.851 5.157 1.00 0.00 H new ATOM 236 N ALA A 16 0.391 0.021 3.342 1.00 0.00 N ATOM 237 CA ALA A 16 0.458 -1.395 2.958 1.00 0.00 C ATOM 238 C ALA A 16 0.150 -1.566 1.477 1.00 0.00 C ATOM 239 O ALA A 16 0.602 -2.508 0.857 1.00 0.00 O ATOM 240 CB ALA A 16 -0.563 -2.171 3.783 1.00 0.00 C ATOM 0 H ALA A 16 -0.221 0.236 4.129 1.00 0.00 H new ATOM 0 HA ALA A 16 1.464 -1.771 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.526 -3.225 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.332 -2.063 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.562 -1.780 3.587 1.00 0.00 H new ATOM 246 N PHE A 17 -0.616 -0.649 0.925 1.00 0.00 N ATOM 247 CA PHE A 17 -0.943 -0.769 -0.520 1.00 0.00 C ATOM 248 C PHE A 17 0.292 -0.426 -1.341 1.00 0.00 C ATOM 249 O PHE A 17 0.480 -0.920 -2.431 1.00 0.00 O ATOM 250 CB PHE A 17 -2.108 0.223 -0.848 1.00 0.00 C ATOM 251 CG PHE A 17 -3.385 -0.550 -1.214 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.592 -0.991 -2.507 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.364 -0.783 -0.265 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.757 -1.643 -2.845 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.523 -1.437 -0.604 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.720 -1.865 -1.893 1.00 0.00 C ATOM 0 H PHE A 17 -1.017 0.156 1.406 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.253 -1.786 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.299 0.866 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.819 0.872 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.834 -0.823 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.216 -0.448 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.913 -1.980 -3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.281 -1.615 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.633 -2.377 -2.158 1.00 0.00 H new ATOM 266 N PHE A 18 1.102 0.426 -0.798 1.00 0.00 N ATOM 267 CA PHE A 18 2.337 0.822 -1.516 1.00 0.00 C ATOM 268 C PHE A 18 3.369 -0.279 -1.351 1.00 0.00 C ATOM 269 O PHE A 18 4.318 -0.362 -2.110 1.00 0.00 O ATOM 270 CB PHE A 18 2.867 2.151 -0.914 1.00 0.00 C ATOM 271 CG PHE A 18 4.320 2.390 -1.330 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.354 1.766 -0.652 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.621 3.242 -2.375 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.662 1.996 -1.015 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.929 3.468 -2.735 1.00 0.00 C ATOM 276 CZ PHE A 18 6.947 2.846 -2.055 1.00 0.00 C ATOM 0 H PHE A 18 0.964 0.867 0.112 1.00 0.00 H new ATOM 0 HA PHE A 18 2.134 0.969 -2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.246 2.982 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.795 2.118 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.133 1.096 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.824 3.734 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.464 1.508 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.156 4.135 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.973 3.026 -2.339 1.00 0.00 H new ATOM 286 N VAL A 19 3.161 -1.119 -0.345 1.00 0.00 N ATOM 287 CA VAL A 19 4.109 -2.226 -0.108 1.00 0.00 C ATOM 288 C VAL A 19 3.788 -3.357 -1.007 1.00 0.00 C ATOM 289 O VAL A 19 4.650 -3.883 -1.632 1.00 0.00 O ATOM 290 CB VAL A 19 4.011 -2.708 1.353 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.910 -3.942 1.548 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.508 -1.603 2.259 1.00 0.00 C ATOM 0 H VAL A 19 2.377 -1.069 0.305 1.00 0.00 H new ATOM 0 HA VAL A 19 5.119 -1.868 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 19 2.978 -2.963 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.841 -4.283 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.584 -4.739 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.943 -3.679 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.445 -1.928 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.544 -1.370 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.893 -0.714 2.119 1.00 0.00 H new ATOM 302 N GLN A 20 2.539 -3.731 -1.053 1.00 0.00 N ATOM 303 CA GLN A 20 2.183 -4.846 -1.935 1.00 0.00 C ATOM 304 C GLN A 20 2.570 -4.469 -3.347 1.00 0.00 C ATOM 305 O GLN A 20 2.795 -5.313 -4.196 1.00 0.00 O ATOM 306 CB GLN A 20 0.650 -5.134 -1.816 1.00 0.00 C ATOM 307 CG GLN A 20 -0.164 -4.275 -2.818 1.00 0.00 C ATOM 308 CD GLN A 20 -0.221 -4.941 -4.211 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.228 -6.052 -4.416 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.772 -4.281 -5.193 1.00 0.00 N ATOM 0 H GLN A 20 1.772 -3.315 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 20 2.713 -5.756 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.461 -6.191 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.316 -4.925 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.176 -4.132 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.287 -3.286 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.152 -3.348 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.823 -4.698 -6.122 1.00 0.00 H new ATOM 319 N THR A 21 2.663 -3.174 -3.555 1.00 0.00 N ATOM 320 CA THR A 21 3.036 -2.670 -4.887 1.00 0.00 C ATOM 321 C THR A 21 4.541 -2.746 -5.048 1.00 0.00 C ATOM 322 O THR A 21 5.038 -3.029 -6.120 1.00 0.00 O ATOM 323 CB THR A 21 2.579 -1.212 -4.998 1.00 0.00 C ATOM 324 OG1 THR A 21 1.168 -1.263 -5.021 1.00 0.00 O ATOM 325 CG2 THR A 21 2.961 -0.621 -6.358 1.00 0.00 C ATOM 0 H THR A 21 2.494 -2.457 -2.850 1.00 0.00 H new ATOM 0 HA THR A 21 2.563 -3.269 -5.665 1.00 0.00 H new ATOM 0 HB THR A 21 3.018 -0.627 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.822 -1.164 -4.109 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.626 0.415 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.044 -0.659 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.486 -1.198 -7.152 1.00 0.00 H new ATOM 333 N SER A 22 5.247 -2.499 -3.960 1.00 0.00 N ATOM 334 CA SER A 22 6.741 -2.552 -4.016 1.00 0.00 C ATOM 335 C SER A 22 7.205 -3.986 -3.801 1.00 0.00 C ATOM 336 O SER A 22 8.349 -4.318 -4.014 1.00 0.00 O ATOM 337 CB SER A 22 7.307 -1.672 -2.890 1.00 0.00 C ATOM 338 OG SER A 22 7.192 -0.348 -3.391 1.00 0.00 O ATOM 0 H SER A 22 4.853 -2.266 -3.049 1.00 0.00 H new ATOM 0 HA SER A 22 7.088 -2.196 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.744 -1.798 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.344 -1.926 -2.669 1.00 0.00 H new ATOM 0 HG SER A 22 7.054 0.273 -2.646 1.00 0.00 H new ATOM 344 N ARG A 23 6.284 -4.800 -3.379 1.00 0.00 N ATOM 345 CA ARG A 23 6.585 -6.230 -3.121 1.00 0.00 C ATOM 346 C ARG A 23 6.682 -6.990 -4.422 1.00 0.00 C ATOM 347 O ARG A 23 7.587 -7.767 -4.627 1.00 0.00 O ATOM 348 CB ARG A 23 5.423 -6.780 -2.288 1.00 0.00 C ATOM 349 CG ARG A 23 5.624 -8.263 -1.973 1.00 0.00 C ATOM 350 CD ARG A 23 4.671 -8.659 -0.813 1.00 0.00 C ATOM 351 NE ARG A 23 4.321 -10.103 -0.940 1.00 0.00 N ATOM 352 CZ ARG A 23 5.233 -11.009 -0.726 1.00 0.00 C ATOM 353 NH1 ARG A 23 6.438 -10.626 -0.399 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.912 -12.267 -0.845 1.00 0.00 N ATOM 0 H ARG A 23 5.317 -4.529 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 23 7.536 -6.337 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.339 -6.216 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.487 -6.644 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.417 -8.868 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.660 -8.453 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.150 -8.471 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.768 -8.049 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 23 3.373 -10.380 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.652 -9.632 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.165 -11.321 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.960 -12.528 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.613 -12.990 -0.681 1.00 0.00 H new ATOM 368 N GLU A 24 5.742 -6.755 -5.278 1.00 0.00 N ATOM 369 CA GLU A 24 5.762 -7.454 -6.577 1.00 0.00 C ATOM 370 C GLU A 24 7.004 -7.046 -7.349 1.00 0.00 C ATOM 371 O GLU A 24 7.553 -7.817 -8.112 1.00 0.00 O ATOM 372 CB GLU A 24 4.519 -7.040 -7.381 1.00 0.00 C ATOM 373 CG GLU A 24 3.287 -7.725 -6.788 1.00 0.00 C ATOM 374 CD GLU A 24 2.082 -7.465 -7.692 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.072 -8.049 -8.763 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.239 -6.696 -7.261 1.00 0.00 O ATOM 0 H GLU A 24 4.963 -6.112 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 24 5.766 -8.532 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.397 -5.957 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.638 -7.321 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.462 -8.797 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.093 -7.345 -5.785 1.00 0.00 H new ATOM 383 N GLU A 25 7.426 -5.824 -7.126 1.00 0.00 N ATOM 384 CA GLU A 25 8.624 -5.318 -7.818 1.00 0.00 C ATOM 385 C GLU A 25 9.885 -5.899 -7.173 1.00 0.00 C ATOM 386 O GLU A 25 10.881 -6.116 -7.830 1.00 0.00 O ATOM 387 CB GLU A 25 8.598 -3.739 -7.721 1.00 0.00 C ATOM 388 CG GLU A 25 9.801 -3.188 -6.923 1.00 0.00 C ATOM 389 CD GLU A 25 9.685 -1.665 -6.820 1.00 0.00 C ATOM 390 OE1 GLU A 25 9.538 -1.063 -7.871 1.00 0.00 O ATOM 391 OE2 GLU A 25 9.752 -1.193 -5.697 1.00 0.00 O ATOM 0 H GLU A 25 6.981 -5.163 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 25 8.631 -5.620 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.604 -3.314 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.671 -3.420 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.825 -3.631 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.734 -3.461 -7.415 1.00 0.00 H new ATOM 398 N HIS A 26 9.803 -6.130 -5.893 1.00 0.00 N ATOM 399 CA HIS A 26 10.968 -6.695 -5.165 1.00 0.00 C ATOM 400 C HIS A 26 11.058 -8.204 -5.405 1.00 0.00 C ATOM 401 O HIS A 26 12.117 -8.774 -5.347 1.00 0.00 O ATOM 402 CB HIS A 26 10.767 -6.389 -3.639 1.00 0.00 C ATOM 403 CG HIS A 26 11.398 -7.479 -2.749 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.370 -7.306 -1.983 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.031 -8.797 -2.581 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.658 -8.366 -1.351 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.857 -9.378 -1.669 1.00 0.00 N ATOM 0 H HIS A 26 8.978 -5.951 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 26 11.897 -6.248 -5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.211 -5.423 -3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.702 -6.313 -3.421 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.869 -6.422 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.217 -9.290 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.463 -8.439 -0.635 1.00 0.00 H new ATOM 415 N LYS A 27 9.950 -8.817 -5.682 1.00 0.00 N ATOM 416 CA LYS A 27 9.987 -10.274 -5.922 1.00 0.00 C ATOM 417 C LYS A 27 10.735 -10.589 -7.226 1.00 0.00 C ATOM 418 O LYS A 27 10.951 -11.740 -7.551 1.00 0.00 O ATOM 419 CB LYS A 27 8.527 -10.790 -6.033 1.00 0.00 C ATOM 420 CG LYS A 27 7.963 -11.072 -4.620 1.00 0.00 C ATOM 421 CD LYS A 27 8.446 -12.453 -4.116 1.00 0.00 C ATOM 422 CE LYS A 27 7.592 -12.879 -2.917 1.00 0.00 C ATOM 423 NZ LYS A 27 6.173 -13.080 -3.332 1.00 0.00 N ATOM 0 H LYS A 27 9.032 -8.378 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 27 10.507 -10.762 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.908 -10.051 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.497 -11.698 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.285 -10.292 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.874 -11.046 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.369 -13.192 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.496 -12.402 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.987 -13.801 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.645 -12.120 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.725 -13.782 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.660 -12.178 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.143 -13.421 -4.314 1.00 0.00 H new ATOM 437 N LYS A 28 11.122 -9.547 -7.938 1.00 0.00 N ATOM 438 CA LYS A 28 11.857 -9.752 -9.227 1.00 0.00 C ATOM 439 C LYS A 28 13.362 -9.925 -9.019 1.00 0.00 C ATOM 440 O LYS A 28 14.071 -10.243 -9.953 1.00 0.00 O ATOM 441 CB LYS A 28 11.619 -8.528 -10.118 1.00 0.00 C ATOM 442 CG LYS A 28 10.149 -8.513 -10.542 1.00 0.00 C ATOM 443 CD LYS A 28 9.890 -7.317 -11.458 1.00 0.00 C ATOM 444 CE LYS A 28 8.382 -7.168 -11.666 1.00 0.00 C ATOM 445 NZ LYS A 28 8.094 -6.069 -12.627 1.00 0.00 N ATOM 0 H LYS A 28 10.960 -8.573 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 28 11.481 -10.665 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.867 -7.614 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.265 -8.567 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.900 -9.440 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.507 -8.456 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.301 -6.409 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.390 -7.461 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.966 -8.104 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.896 -6.962 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.066 -5.982 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.473 -5.175 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.541 -6.281 -13.542 1.00 0.00 H new ATOM 459 N LYS A 29 13.837 -9.699 -7.806 1.00 0.00 N ATOM 460 CA LYS A 29 15.309 -9.860 -7.564 1.00 0.00 C ATOM 461 C LYS A 29 15.627 -10.085 -6.081 1.00 0.00 C ATOM 462 O LYS A 29 16.569 -9.525 -5.552 1.00 0.00 O ATOM 463 CB LYS A 29 16.060 -8.607 -8.091 1.00 0.00 C ATOM 464 CG LYS A 29 15.535 -7.334 -7.410 1.00 0.00 C ATOM 465 CD LYS A 29 15.863 -6.112 -8.279 1.00 0.00 C ATOM 466 CE LYS A 29 15.560 -4.831 -7.489 1.00 0.00 C ATOM 467 NZ LYS A 29 14.093 -4.673 -7.286 1.00 0.00 N ATOM 0 H LYS A 29 13.283 -9.418 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 29 15.644 -10.746 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.129 -8.712 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.932 -8.527 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.458 -7.408 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.987 -7.224 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.912 -6.132 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.274 -6.135 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.064 -4.865 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.954 -3.966 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.903 -3.760 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.610 -4.703 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.741 -5.445 -6.685 1.00 0.00 H new ATOM 481 N HIS A 30 14.819 -10.920 -5.447 1.00 0.00 N ATOM 482 CA HIS A 30 15.022 -11.235 -3.994 1.00 0.00 C ATOM 483 C HIS A 30 14.539 -12.679 -3.694 1.00 0.00 C ATOM 484 O HIS A 30 13.614 -12.887 -2.933 1.00 0.00 O ATOM 485 CB HIS A 30 14.176 -10.255 -3.143 1.00 0.00 C ATOM 486 CG HIS A 30 14.821 -8.874 -3.113 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.385 -8.375 -2.119 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.856 -7.905 -4.079 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.768 -7.191 -2.348 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.474 -6.799 -3.585 1.00 0.00 N ATOM 0 H HIS A 30 14.027 -11.395 -5.881 1.00 0.00 H new ATOM 0 HA HIS A 30 16.081 -11.141 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.169 -10.183 -3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.078 -10.638 -2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.456 -8.003 -5.077 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.275 -6.571 -1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.662 -5.906 -4.041 1.00 0.00 H new ATOM 498 N PRO A 31 15.180 -13.663 -4.318 1.00 0.00 N ATOM 499 CA PRO A 31 14.804 -15.062 -4.106 1.00 0.00 C ATOM 500 C PRO A 31 15.266 -15.557 -2.732 1.00 0.00 C ATOM 501 O PRO A 31 14.663 -16.438 -2.148 1.00 0.00 O ATOM 502 CB PRO A 31 15.551 -15.843 -5.235 1.00 0.00 C ATOM 503 CG PRO A 31 16.590 -14.852 -5.865 1.00 0.00 C ATOM 504 CD PRO A 31 16.293 -13.448 -5.272 1.00 0.00 C ATOM 0 HA PRO A 31 13.723 -15.200 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.053 -16.722 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.848 -16.197 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 31 17.609 -15.162 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.501 -14.839 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.169 -13.038 -4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.013 -12.741 -6.053 1.00 0.00 H new ATOM 512 N ASP A 32 16.323 -14.966 -2.249 1.00 0.00 N ATOM 513 CA ASP A 32 16.870 -15.367 -0.915 1.00 0.00 C ATOM 514 C ASP A 32 16.163 -14.664 0.237 1.00 0.00 C ATOM 515 O ASP A 32 15.935 -15.250 1.277 1.00 0.00 O ATOM 516 CB ASP A 32 18.356 -14.978 -0.885 1.00 0.00 C ATOM 517 CG ASP A 32 19.109 -15.782 -1.946 1.00 0.00 C ATOM 518 OD1 ASP A 32 19.121 -16.993 -1.800 1.00 0.00 O ATOM 519 OD2 ASP A 32 19.632 -15.139 -2.842 1.00 0.00 O ATOM 0 H ASP A 32 16.836 -14.220 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 32 16.720 -16.439 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.468 -13.910 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.775 -15.174 0.102 1.00 0.00 H new ATOM 524 N ALA A 33 15.835 -13.428 0.038 1.00 0.00 N ATOM 525 CA ALA A 33 15.143 -12.670 1.114 1.00 0.00 C ATOM 526 C ALA A 33 13.888 -13.397 1.604 1.00 0.00 C ATOM 527 O ALA A 33 13.617 -13.431 2.790 1.00 0.00 O ATOM 528 CB ALA A 33 14.736 -11.290 0.559 1.00 0.00 C ATOM 0 H ALA A 33 16.013 -12.906 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 33 15.826 -12.571 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.227 -10.721 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.627 -10.750 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.067 -11.423 -0.291 1.00 0.00 H new ATOM 534 N SER A 34 13.145 -13.950 0.677 1.00 0.00 N ATOM 535 CA SER A 34 11.899 -14.683 1.055 1.00 0.00 C ATOM 536 C SER A 34 10.844 -13.720 1.591 1.00 0.00 C ATOM 537 O SER A 34 9.708 -14.095 1.789 1.00 0.00 O ATOM 538 CB SER A 34 12.243 -15.727 2.144 1.00 0.00 C ATOM 539 OG SER A 34 11.410 -16.834 1.838 1.00 0.00 O ATOM 0 H SER A 34 13.347 -13.925 -0.322 1.00 0.00 H new ATOM 0 HA SER A 34 11.497 -15.176 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.297 -16.001 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.042 -15.341 3.144 1.00 0.00 H new ATOM 0 HG SER A 34 11.567 -17.551 2.487 1.00 0.00 H new ATOM 545 N VAL A 35 11.256 -12.500 1.813 1.00 0.00 N ATOM 546 CA VAL A 35 10.326 -11.465 2.336 1.00 0.00 C ATOM 547 C VAL A 35 9.513 -11.954 3.539 1.00 0.00 C ATOM 548 O VAL A 35 8.395 -12.409 3.393 1.00 0.00 O ATOM 549 CB VAL A 35 9.362 -11.072 1.205 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.312 -10.054 1.739 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.170 -10.436 0.070 1.00 0.00 C ATOM 0 H VAL A 35 12.210 -12.176 1.651 1.00 0.00 H new ATOM 0 HA VAL A 35 10.921 -10.616 2.674 1.00 0.00 H new ATOM 0 HB VAL A 35 8.840 -11.956 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.631 -9.778 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.747 -10.508 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.822 -9.163 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.498 -10.152 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.685 -9.550 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.903 -11.153 -0.301 1.00 0.00 H new ATOM 561 N ASN A 36 10.090 -11.843 4.706 1.00 0.00 N ATOM 562 CA ASN A 36 9.369 -12.292 5.927 1.00 0.00 C ATOM 563 C ASN A 36 8.386 -11.210 6.362 1.00 0.00 C ATOM 564 O ASN A 36 7.669 -11.360 7.333 1.00 0.00 O ATOM 565 CB ASN A 36 10.404 -12.500 7.046 1.00 0.00 C ATOM 566 CG ASN A 36 11.431 -13.542 6.600 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.117 -14.477 5.892 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.671 -13.417 6.993 1.00 0.00 N ATOM 0 H ASN A 36 11.023 -11.463 4.864 1.00 0.00 H new ATOM 0 HA ASN A 36 8.828 -13.216 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.902 -11.558 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.908 -12.830 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.369 -14.103 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.941 -12.634 7.588 1.00 0.00 H new ATOM 575 N PHE A 37 8.388 -10.132 5.617 1.00 0.00 N ATOM 576 CA PHE A 37 7.483 -8.986 5.917 1.00 0.00 C ATOM 577 C PHE A 37 7.919 -8.264 7.190 1.00 0.00 C ATOM 578 O PHE A 37 7.597 -7.108 7.387 1.00 0.00 O ATOM 579 CB PHE A 37 6.004 -9.500 6.049 1.00 0.00 C ATOM 580 CG PHE A 37 5.099 -8.638 5.152 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.688 -7.380 5.566 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.749 -9.076 3.886 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.947 -6.576 4.722 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.009 -8.271 3.049 1.00 0.00 C ATOM 585 CZ PHE A 37 3.610 -7.023 3.465 1.00 0.00 C ATOM 0 H PHE A 37 8.988 -9.999 4.803 1.00 0.00 H new ATOM 0 HA PHE A 37 7.539 -8.272 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.941 -10.547 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.675 -9.440 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.949 -7.027 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.058 -10.056 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.632 -5.596 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.741 -8.621 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.032 -6.393 2.805 1.00 0.00 H new ATOM 595 N SER A 38 8.653 -8.963 8.018 1.00 0.00 N ATOM 596 CA SER A 38 9.139 -8.360 9.289 1.00 0.00 C ATOM 597 C SER A 38 10.483 -7.705 9.041 1.00 0.00 C ATOM 598 O SER A 38 11.123 -7.220 9.955 1.00 0.00 O ATOM 599 CB SER A 38 9.317 -9.485 10.318 1.00 0.00 C ATOM 600 OG SER A 38 7.996 -9.762 10.760 1.00 0.00 O ATOM 0 H SER A 38 8.936 -9.931 7.864 1.00 0.00 H new ATOM 0 HA SER A 38 8.428 -7.618 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.780 -10.364 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.956 -9.173 11.144 1.00 0.00 H new ATOM 0 HG SER A 38 8.018 -10.480 11.427 1.00 0.00 H new ATOM 606 N GLU A 39 10.883 -7.719 7.776 1.00 0.00 N ATOM 607 CA GLU A 39 12.190 -7.114 7.370 1.00 0.00 C ATOM 608 C GLU A 39 12.056 -6.422 6.018 1.00 0.00 C ATOM 609 O GLU A 39 12.819 -5.533 5.694 1.00 0.00 O ATOM 610 CB GLU A 39 13.225 -8.247 7.234 1.00 0.00 C ATOM 611 CG GLU A 39 13.623 -8.747 8.626 1.00 0.00 C ATOM 612 CD GLU A 39 14.398 -7.650 9.358 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.412 -7.248 8.813 1.00 0.00 O ATOM 614 OE2 GLU A 39 13.930 -7.275 10.421 1.00 0.00 O ATOM 0 H GLU A 39 10.348 -8.129 7.010 1.00 0.00 H new ATOM 0 HA GLU A 39 12.498 -6.384 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.808 -9.066 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.105 -7.888 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.734 -9.020 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.235 -9.645 8.541 1.00 0.00 H new ATOM 621 N PHE A 40 11.088 -6.852 5.256 1.00 0.00 N ATOM 622 CA PHE A 40 10.871 -6.248 3.918 1.00 0.00 C ATOM 623 C PHE A 40 10.122 -4.924 4.034 1.00 0.00 C ATOM 624 O PHE A 40 10.545 -3.930 3.490 1.00 0.00 O ATOM 625 CB PHE A 40 10.043 -7.222 3.078 1.00 0.00 C ATOM 626 CG PHE A 40 9.753 -6.579 1.727 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.790 -6.243 0.879 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.456 -6.292 1.348 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.533 -5.631 -0.322 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.201 -5.681 0.150 1.00 0.00 C ATOM 631 CZ PHE A 40 9.238 -5.348 -0.689 1.00 0.00 C ATOM 0 H PHE A 40 10.438 -7.598 5.506 1.00 0.00 H new ATOM 0 HA PHE A 40 11.837 -6.056 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.584 -8.158 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.111 -7.464 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.809 -6.463 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.637 -6.552 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.349 -5.371 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.183 -5.460 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.036 -4.865 -1.634 1.00 0.00 H new ATOM 641 N SER A 41 8.986 -4.955 4.677 1.00 0.00 N ATOM 642 CA SER A 41 8.200 -3.705 4.837 1.00 0.00 C ATOM 643 C SER A 41 9.068 -2.611 5.428 1.00 0.00 C ATOM 644 O SER A 41 8.820 -1.460 5.221 1.00 0.00 O ATOM 645 CB SER A 41 7.027 -3.982 5.791 1.00 0.00 C ATOM 646 OG SER A 41 6.216 -4.911 5.086 1.00 0.00 O ATOM 0 H SER A 41 8.573 -5.788 5.095 1.00 0.00 H new ATOM 0 HA SER A 41 7.835 -3.381 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.373 -4.395 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.478 -3.069 6.022 1.00 0.00 H new ATOM 0 HG SER A 41 5.746 -5.486 5.725 1.00 0.00 H new ATOM 652 N LYS A 42 10.061 -2.984 6.182 1.00 0.00 N ATOM 653 CA LYS A 42 10.922 -1.942 6.760 1.00 0.00 C ATOM 654 C LYS A 42 11.555 -1.174 5.609 1.00 0.00 C ATOM 655 O LYS A 42 11.828 0.008 5.702 1.00 0.00 O ATOM 656 CB LYS A 42 12.028 -2.618 7.612 1.00 0.00 C ATOM 657 CG LYS A 42 11.504 -2.864 9.036 1.00 0.00 C ATOM 658 CD LYS A 42 10.408 -3.934 8.997 1.00 0.00 C ATOM 659 CE LYS A 42 9.958 -4.247 10.427 1.00 0.00 C ATOM 660 NZ LYS A 42 11.125 -4.598 11.284 1.00 0.00 N ATOM 0 H LYS A 42 10.304 -3.947 6.415 1.00 0.00 H new ATOM 0 HA LYS A 42 10.348 -1.266 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.327 -3.562 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.914 -1.985 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.319 -3.186 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.109 -1.938 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.562 -3.584 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.782 -4.837 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.439 -3.385 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.247 -5.073 10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.791 -5.062 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.754 -5.245 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.646 -3.733 11.532 1.00 0.00 H new ATOM 674 N LYS A 43 11.766 -1.890 4.538 1.00 0.00 N ATOM 675 CA LYS A 43 12.366 -1.295 3.344 1.00 0.00 C ATOM 676 C LYS A 43 11.345 -0.418 2.602 1.00 0.00 C ATOM 677 O LYS A 43 11.583 0.753 2.371 1.00 0.00 O ATOM 678 CB LYS A 43 12.807 -2.462 2.421 1.00 0.00 C ATOM 679 CG LYS A 43 14.001 -2.022 1.553 1.00 0.00 C ATOM 680 CD LYS A 43 15.316 -2.148 2.351 1.00 0.00 C ATOM 681 CE LYS A 43 16.500 -2.073 1.381 1.00 0.00 C ATOM 682 NZ LYS A 43 17.760 -1.778 2.118 1.00 0.00 N ATOM 0 H LYS A 43 11.538 -2.881 4.454 1.00 0.00 H new ATOM 0 HA LYS A 43 13.211 -0.666 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.083 -3.328 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.977 -2.767 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.052 -2.636 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.862 -0.991 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.385 -1.350 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.336 -3.091 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.598 -3.016 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.318 -1.299 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.552 -1.731 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.669 -0.867 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.940 -2.531 2.813 1.00 0.00 H new ATOM 696 N CYS A 44 10.219 -1.005 2.241 1.00 0.00 N ATOM 697 CA CYS A 44 9.199 -0.218 1.525 1.00 0.00 C ATOM 698 C CYS A 44 8.746 0.955 2.366 1.00 0.00 C ATOM 699 O CYS A 44 8.364 1.988 1.854 1.00 0.00 O ATOM 700 CB CYS A 44 8.014 -1.123 1.251 1.00 0.00 C ATOM 701 SG CYS A 44 8.307 -2.595 0.240 1.00 0.00 S ATOM 0 H CYS A 44 9.981 -1.981 2.416 1.00 0.00 H new ATOM 0 HA CYS A 44 9.619 0.166 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.609 -1.448 2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.241 -0.528 0.764 1.00 0.00 H new ATOM 0 HG CYS A 44 8.120 -3.661 0.961 1.00 0.00 H new ATOM 707 N SER A 45 8.800 0.768 3.644 1.00 0.00 N ATOM 708 CA SER A 45 8.380 1.853 4.568 1.00 0.00 C ATOM 709 C SER A 45 9.258 3.068 4.373 1.00 0.00 C ATOM 710 O SER A 45 8.778 4.174 4.286 1.00 0.00 O ATOM 711 CB SER A 45 8.544 1.355 6.017 1.00 0.00 C ATOM 712 OG SER A 45 8.450 2.532 6.807 1.00 0.00 O ATOM 0 H SER A 45 9.117 -0.090 4.095 1.00 0.00 H new ATOM 0 HA SER A 45 7.343 2.120 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.768 0.636 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.502 0.856 6.160 1.00 0.00 H new ATOM 0 HG SER A 45 8.544 2.299 7.754 1.00 0.00 H new ATOM 718 N GLU A 46 10.535 2.848 4.309 1.00 0.00 N ATOM 719 CA GLU A 46 11.443 3.992 4.120 1.00 0.00 C ATOM 720 C GLU A 46 11.178 4.663 2.782 1.00 0.00 C ATOM 721 O GLU A 46 11.470 5.830 2.604 1.00 0.00 O ATOM 722 CB GLU A 46 12.892 3.479 4.150 1.00 0.00 C ATOM 723 CG GLU A 46 13.847 4.665 3.974 1.00 0.00 C ATOM 724 CD GLU A 46 15.257 4.254 4.404 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.493 4.299 5.601 1.00 0.00 O ATOM 726 OE2 GLU A 46 16.019 3.923 3.512 1.00 0.00 O ATOM 0 H GLU A 46 10.982 1.934 4.379 1.00 0.00 H new ATOM 0 HA GLU A 46 11.278 4.719 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.092 2.972 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.049 2.749 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.853 4.989 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.506 5.512 4.570 1.00 0.00 H new ATOM 733 N ARG A 47 10.616 3.899 1.864 1.00 0.00 N ATOM 734 CA ARG A 47 10.305 4.440 0.509 1.00 0.00 C ATOM 735 C ARG A 47 8.896 5.052 0.462 1.00 0.00 C ATOM 736 O ARG A 47 8.491 5.586 -0.554 1.00 0.00 O ATOM 737 CB ARG A 47 10.394 3.272 -0.506 1.00 0.00 C ATOM 738 CG ARG A 47 10.741 3.817 -1.905 1.00 0.00 C ATOM 739 CD ARG A 47 11.161 2.649 -2.797 1.00 0.00 C ATOM 740 NE ARG A 47 12.395 2.043 -2.223 1.00 0.00 N ATOM 741 CZ ARG A 47 12.854 0.924 -2.713 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.218 0.356 -3.699 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.936 0.410 -2.195 1.00 0.00 N ATOM 0 H ARG A 47 10.362 2.921 2.004 1.00 0.00 H new ATOM 0 HA ARG A 47 11.018 5.227 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.153 2.558 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.446 2.736 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.880 4.330 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.546 4.548 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.364 1.907 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.345 2.995 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 47 12.879 2.501 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.374 0.786 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.564 -0.519 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.406 0.882 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.312 -0.464 -2.563 1.00 0.00 H new ATOM 757 N TRP A 48 8.173 4.929 1.572 1.00 0.00 N ATOM 758 CA TRP A 48 6.775 5.488 1.662 1.00 0.00 C ATOM 759 C TRP A 48 6.760 6.693 2.593 1.00 0.00 C ATOM 760 O TRP A 48 6.358 7.772 2.203 1.00 0.00 O ATOM 761 CB TRP A 48 5.886 4.365 2.231 1.00 0.00 C ATOM 762 CG TRP A 48 4.602 4.921 2.862 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.468 5.140 4.148 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.459 5.064 2.240 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.161 5.406 4.294 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.447 5.376 3.124 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.183 4.952 0.899 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.162 5.556 2.676 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.887 5.142 0.444 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.879 5.442 1.341 1.00 0.00 C ATOM 0 H TRP A 48 8.499 4.463 2.419 1.00 0.00 H new ATOM 0 HA TRP A 48 6.415 5.814 0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.627 3.667 1.435 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.445 3.802 2.979 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.231 5.113 4.911 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.735 5.613 5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.973 4.717 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.374 5.788 3.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.666 5.056 -0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.132 5.586 0.989 1.00 0.00 H new ATOM 781 N LYS A 49 7.175 6.468 3.808 1.00 0.00 N ATOM 782 CA LYS A 49 7.207 7.593 4.817 1.00 0.00 C ATOM 783 C LYS A 49 7.911 8.806 4.222 1.00 0.00 C ATOM 784 O LYS A 49 7.816 9.906 4.728 1.00 0.00 O ATOM 785 CB LYS A 49 8.041 7.152 6.053 1.00 0.00 C ATOM 786 CG LYS A 49 7.441 5.899 6.713 1.00 0.00 C ATOM 787 CD LYS A 49 6.172 6.273 7.492 1.00 0.00 C ATOM 788 CE LYS A 49 5.750 5.083 8.357 1.00 0.00 C ATOM 789 NZ LYS A 49 4.605 5.454 9.235 1.00 0.00 N ATOM 0 H LYS A 49 7.494 5.564 4.156 1.00 0.00 H new ATOM 0 HA LYS A 49 6.181 7.836 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.068 6.949 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.079 7.965 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.205 5.155 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.170 5.447 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.358 7.146 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.371 6.540 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.470 4.244 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.591 4.753 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.332 4.635 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.884 6.240 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.798 5.747 8.648 1.00 0.00 H new ATOM 803 N THR A 50 8.601 8.564 3.157 1.00 0.00 N ATOM 804 CA THR A 50 9.338 9.636 2.473 1.00 0.00 C ATOM 805 C THR A 50 8.435 10.611 1.734 1.00 0.00 C ATOM 806 O THR A 50 8.646 11.806 1.789 1.00 0.00 O ATOM 807 CB THR A 50 10.251 8.975 1.456 1.00 0.00 C ATOM 808 OG1 THR A 50 10.745 10.028 0.653 1.00 0.00 O ATOM 809 CG2 THR A 50 9.435 8.102 0.497 1.00 0.00 C ATOM 0 H THR A 50 8.685 7.645 2.724 1.00 0.00 H new ATOM 0 HA THR A 50 9.878 10.208 3.228 1.00 0.00 H new ATOM 0 HB THR A 50 11.012 8.383 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.348 9.664 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.103 7.634 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.914 7.329 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.707 8.721 -0.028 1.00 0.00 H new ATOM 817 N MET A 51 7.456 10.097 1.049 1.00 0.00 N ATOM 818 CA MET A 51 6.551 11.011 0.310 1.00 0.00 C ATOM 819 C MET A 51 5.892 12.013 1.247 1.00 0.00 C ATOM 820 O MET A 51 6.055 11.934 2.451 1.00 0.00 O ATOM 821 CB MET A 51 5.478 10.187 -0.419 1.00 0.00 C ATOM 822 CG MET A 51 6.149 8.998 -1.120 1.00 0.00 C ATOM 823 SD MET A 51 5.191 8.121 -2.392 1.00 0.00 S ATOM 824 CE MET A 51 4.549 6.782 -1.351 1.00 0.00 C ATOM 0 H MET A 51 7.246 9.102 0.969 1.00 0.00 H new ATOM 0 HA MET A 51 7.142 11.571 -0.415 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.730 9.832 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.957 10.808 -1.148 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.070 9.356 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.434 8.275 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.588 6.447 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.252 5.949 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.420 7.144 -0.331 1.00 0.00 H new ATOM 834 N SER A 52 5.127 12.922 0.674 1.00 0.00 N ATOM 835 CA SER A 52 4.432 13.963 1.512 1.00 0.00 C ATOM 836 C SER A 52 3.030 13.530 1.883 1.00 0.00 C ATOM 837 O SER A 52 2.744 13.232 3.024 1.00 0.00 O ATOM 838 CB SER A 52 4.336 15.246 0.675 1.00 0.00 C ATOM 839 OG SER A 52 3.600 16.140 1.496 1.00 0.00 O ATOM 0 H SER A 52 4.955 12.988 -0.329 1.00 0.00 H new ATOM 0 HA SER A 52 4.998 14.115 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.323 15.643 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.829 15.067 -0.273 1.00 0.00 H new ATOM 0 HG SER A 52 3.492 16.997 1.032 1.00 0.00 H new ATOM 845 N ALA A 53 2.190 13.520 0.911 1.00 0.00 N ATOM 846 CA ALA A 53 0.796 13.122 1.129 1.00 0.00 C ATOM 847 C ALA A 53 0.104 13.067 -0.205 1.00 0.00 C ATOM 848 O ALA A 53 -0.850 12.342 -0.390 1.00 0.00 O ATOM 849 CB ALA A 53 0.095 14.157 2.026 1.00 0.00 C ATOM 0 H ALA A 53 2.417 13.777 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 53 0.758 12.147 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.941 13.858 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.608 14.214 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.120 15.134 1.543 1.00 0.00 H new ATOM 855 N LYS A 54 0.600 13.855 -1.120 1.00 0.00 N ATOM 856 CA LYS A 54 -0.005 13.867 -2.453 1.00 0.00 C ATOM 857 C LYS A 54 0.131 12.485 -3.052 1.00 0.00 C ATOM 858 O LYS A 54 -0.825 11.921 -3.568 1.00 0.00 O ATOM 859 CB LYS A 54 0.751 14.880 -3.328 1.00 0.00 C ATOM 860 CG LYS A 54 0.798 16.231 -2.607 1.00 0.00 C ATOM 861 CD LYS A 54 1.631 17.210 -3.433 1.00 0.00 C ATOM 862 CE LYS A 54 1.946 18.441 -2.583 1.00 0.00 C ATOM 863 NZ LYS A 54 0.693 19.157 -2.214 1.00 0.00 N ATOM 0 H LYS A 54 1.394 14.482 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.057 14.145 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.762 14.524 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.256 14.986 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.211 16.619 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.232 16.112 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.555 16.734 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.087 17.502 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.479 18.140 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.606 19.111 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.929 20.095 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.095 19.267 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.180 18.610 -1.494 1.00 0.00 H new ATOM 877 N GLU A 55 1.321 11.933 -2.963 1.00 0.00 N ATOM 878 CA GLU A 55 1.509 10.588 -3.524 1.00 0.00 C ATOM 879 C GLU A 55 0.736 9.603 -2.674 1.00 0.00 C ATOM 880 O GLU A 55 -0.031 8.798 -3.178 1.00 0.00 O ATOM 881 CB GLU A 55 3.000 10.230 -3.488 1.00 0.00 C ATOM 882 CG GLU A 55 3.821 11.414 -4.012 1.00 0.00 C ATOM 883 CD GLU A 55 5.234 10.938 -4.357 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.325 10.112 -5.250 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.142 11.429 -3.706 1.00 0.00 O ATOM 0 H GLU A 55 2.143 12.357 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 55 1.154 10.555 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.302 9.986 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.188 9.345 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.343 11.840 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.864 12.202 -3.260 1.00 0.00 H new ATOM 892 N LYS A 56 0.934 9.690 -1.381 1.00 0.00 N ATOM 893 CA LYS A 56 0.214 8.768 -0.498 1.00 0.00 C ATOM 894 C LYS A 56 -1.276 9.009 -0.661 1.00 0.00 C ATOM 895 O LYS A 56 -2.095 8.261 -0.172 1.00 0.00 O ATOM 896 CB LYS A 56 0.611 9.039 0.968 1.00 0.00 C ATOM 897 CG LYS A 56 2.148 9.195 1.079 1.00 0.00 C ATOM 898 CD LYS A 56 2.604 8.887 2.553 1.00 0.00 C ATOM 899 CE LYS A 56 3.718 9.854 3.003 1.00 0.00 C ATOM 900 NZ LYS A 56 3.881 9.798 4.481 1.00 0.00 N ATOM 0 H LYS A 56 1.556 10.354 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 56 0.463 7.738 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.118 9.943 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.273 8.220 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.644 8.516 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.442 10.207 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.751 8.972 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.961 7.859 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.657 9.591 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.473 10.871 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.634 10.453 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.988 10.071 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.135 8.831 4.766 1.00 0.00 H new ATOM 914 N GLY A 57 -1.588 10.079 -1.362 1.00 0.00 N ATOM 915 CA GLY A 57 -3.014 10.435 -1.601 1.00 0.00 C ATOM 916 C GLY A 57 -3.657 9.437 -2.564 1.00 0.00 C ATOM 917 O GLY A 57 -4.752 8.965 -2.341 1.00 0.00 O ATOM 0 H GLY A 57 -0.909 10.718 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.558 10.441 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.080 11.442 -2.013 1.00 0.00 H new ATOM 921 N LYS A 58 -2.966 9.149 -3.629 1.00 0.00 N ATOM 922 CA LYS A 58 -3.514 8.193 -4.609 1.00 0.00 C ATOM 923 C LYS A 58 -3.550 6.785 -3.983 1.00 0.00 C ATOM 924 O LYS A 58 -4.369 5.952 -4.334 1.00 0.00 O ATOM 925 CB LYS A 58 -2.584 8.275 -5.873 1.00 0.00 C ATOM 926 CG LYS A 58 -2.395 6.903 -6.574 1.00 0.00 C ATOM 927 CD LYS A 58 -1.196 6.150 -5.949 1.00 0.00 C ATOM 928 CE LYS A 58 0.119 6.638 -6.596 1.00 0.00 C ATOM 929 NZ LYS A 58 0.391 5.888 -7.854 1.00 0.00 N ATOM 0 H LYS A 58 -2.050 9.536 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.539 8.425 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.007 8.985 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.610 8.663 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.302 6.306 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.226 7.051 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.168 6.320 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.310 5.076 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.052 7.705 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.946 6.503 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.278 6.228 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.475 4.873 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.391 6.038 -8.523 1.00 0.00 H new ATOM 943 N PHE A 59 -2.703 6.585 -3.020 1.00 0.00 N ATOM 944 CA PHE A 59 -2.653 5.261 -2.344 1.00 0.00 C ATOM 945 C PHE A 59 -3.759 5.214 -1.316 1.00 0.00 C ATOM 946 O PHE A 59 -4.251 4.162 -0.962 1.00 0.00 O ATOM 947 CB PHE A 59 -1.291 5.116 -1.630 1.00 0.00 C ATOM 948 CG PHE A 59 -0.227 4.650 -2.636 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.265 3.369 -3.144 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.795 5.498 -3.033 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.699 2.939 -4.030 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.755 5.065 -3.918 1.00 0.00 C ATOM 953 CZ PHE A 59 1.707 3.786 -4.416 1.00 0.00 C ATOM 0 H PHE A 59 -2.042 7.279 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.775 4.456 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.997 6.069 -1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.372 4.399 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.056 2.697 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.838 6.505 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.661 1.933 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.548 5.732 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.462 3.447 -5.110 1.00 0.00 H new ATOM 963 N GLU A 60 -4.125 6.380 -0.856 1.00 0.00 N ATOM 964 CA GLU A 60 -5.195 6.469 0.148 1.00 0.00 C ATOM 965 C GLU A 60 -6.499 6.187 -0.553 1.00 0.00 C ATOM 966 O GLU A 60 -7.480 5.802 0.055 1.00 0.00 O ATOM 967 CB GLU A 60 -5.192 7.926 0.720 1.00 0.00 C ATOM 968 CG GLU A 60 -4.647 7.940 2.159 1.00 0.00 C ATOM 969 CD GLU A 60 -5.737 7.463 3.127 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.873 6.256 3.241 1.00 0.00 O ATOM 971 OE2 GLU A 60 -6.374 8.332 3.697 1.00 0.00 O ATOM 0 H GLU A 60 -3.720 7.272 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.054 5.758 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.581 8.570 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.204 8.331 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.772 7.294 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.324 8.946 2.426 1.00 0.00 H new ATOM 978 N ASP A 61 -6.478 6.389 -1.842 1.00 0.00 N ATOM 979 CA ASP A 61 -7.696 6.145 -2.638 1.00 0.00 C ATOM 980 C ASP A 61 -7.871 4.659 -2.842 1.00 0.00 C ATOM 981 O ASP A 61 -8.976 4.165 -2.934 1.00 0.00 O ATOM 982 CB ASP A 61 -7.529 6.833 -3.998 1.00 0.00 C ATOM 983 CG ASP A 61 -8.888 6.913 -4.696 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.672 7.738 -4.258 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.064 6.145 -5.628 1.00 0.00 O ATOM 0 H ASP A 61 -5.668 6.712 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.571 6.540 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.117 7.833 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.823 6.277 -4.615 1.00 0.00 H new ATOM 990 N MET A 62 -6.771 3.962 -2.943 1.00 0.00 N ATOM 991 CA MET A 62 -6.864 2.511 -3.136 1.00 0.00 C ATOM 992 C MET A 62 -7.309 1.880 -1.842 1.00 0.00 C ATOM 993 O MET A 62 -8.241 1.102 -1.816 1.00 0.00 O ATOM 994 CB MET A 62 -5.474 1.959 -3.524 1.00 0.00 C ATOM 995 CG MET A 62 -5.152 2.303 -4.998 1.00 0.00 C ATOM 996 SD MET A 62 -3.923 1.274 -5.840 1.00 0.00 S ATOM 997 CE MET A 62 -2.531 1.641 -4.747 1.00 0.00 C ATOM 0 H MET A 62 -5.826 4.342 -2.899 1.00 0.00 H new ATOM 0 HA MET A 62 -7.578 2.283 -3.927 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.712 2.382 -2.870 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.452 0.878 -3.382 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.081 2.253 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.810 3.337 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.690 0.995 -4.999 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.237 2.683 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.825 1.466 -3.712 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.632 2.223 -0.779 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.012 1.651 0.524 1.00 0.00 C ATOM 1009 C ALA A 63 -8.468 1.984 0.807 1.00 0.00 C ATOM 1010 O ALA A 63 -9.147 1.267 1.516 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.120 2.269 1.615 1.00 0.00 C ATOM 0 H ALA A 63 -5.842 2.868 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.883 0.569 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.391 1.854 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.075 2.042 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.261 3.350 1.631 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.924 3.080 0.241 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.326 3.474 0.462 1.00 0.00 C ATOM 1019 C LYS A 64 -11.224 2.579 -0.374 1.00 0.00 C ATOM 1020 O LYS A 64 -12.333 2.254 0.011 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.515 4.942 0.029 1.00 0.00 C ATOM 1022 CG LYS A 64 -12.001 5.313 0.136 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.146 6.837 0.189 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.452 7.452 -1.028 1.00 0.00 C ATOM 1025 NZ LYS A 64 -11.874 8.869 -1.203 1.00 0.00 N ATOM 0 H LYS A 64 -8.381 3.703 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.582 3.372 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.917 5.600 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.166 5.079 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.548 4.915 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.435 4.865 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.200 7.114 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.706 7.224 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.370 7.400 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.697 6.879 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.395 9.274 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.904 8.910 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.618 9.415 -0.355 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.721 2.182 -1.515 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.516 1.313 -2.383 1.00 0.00 C ATOM 1041 C ALA A 65 -11.622 -0.045 -1.748 1.00 0.00 C ATOM 1042 O ALA A 65 -12.623 -0.723 -1.861 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.810 1.183 -3.741 1.00 0.00 C ATOM 0 H ALA A 65 -9.796 2.429 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.512 1.734 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.395 0.537 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.713 2.168 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.820 0.751 -3.596 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.573 -0.414 -1.081 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.564 -1.719 -0.415 1.00 0.00 C ATOM 1051 C ASP A 66 -11.508 -1.670 0.773 1.00 0.00 C ATOM 1052 O ASP A 66 -12.081 -2.665 1.167 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.128 -2.008 0.064 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.942 -3.515 0.264 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.826 -4.095 0.872 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.925 -4.001 -0.201 1.00 0.00 O ATOM 0 H ASP A 66 -9.723 0.139 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.889 -2.505 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.409 -1.637 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.933 -1.481 0.998 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.644 -0.497 1.335 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.544 -0.360 2.490 1.00 0.00 C ATOM 1063 C LYS A 67 -13.934 -0.815 2.089 1.00 0.00 C ATOM 1064 O LYS A 67 -14.639 -1.421 2.865 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.594 1.129 2.911 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.107 1.233 4.351 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.477 2.691 4.645 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.769 2.850 6.137 1.00 0.00 C ATOM 1069 NZ LYS A 67 -14.362 4.190 6.409 1.00 0.00 N ATOM 0 H LYS A 67 -11.171 0.357 1.039 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.184 -0.967 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.602 1.574 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.247 1.687 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.976 0.589 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.343 0.891 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.661 3.351 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.349 2.981 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.454 2.068 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.849 2.729 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.555 4.284 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.695 4.931 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.250 4.291 5.877 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.305 -0.509 0.863 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.644 -0.918 0.388 1.00 0.00 C ATOM 1085 C ALA A 68 -15.685 -2.405 0.096 1.00 0.00 C ATOM 1086 O ALA A 68 -16.691 -3.048 0.299 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.970 -0.142 -0.900 1.00 0.00 C ATOM 0 H ALA A 68 -13.736 0.001 0.187 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.376 -0.699 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.956 -0.435 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.963 0.928 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.223 -0.369 -1.660 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.599 -2.927 -0.384 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.569 -4.378 -0.691 1.00 0.00 C ATOM 1095 C ARG A 69 -14.791 -5.182 0.580 1.00 0.00 C ATOM 1096 O ARG A 69 -15.406 -6.229 0.557 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.185 -4.744 -1.266 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.039 -4.156 -2.682 1.00 0.00 C ATOM 1099 CD ARG A 69 -13.975 -4.898 -3.677 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.156 -4.037 -3.950 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.016 -4.397 -4.866 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -15.810 -5.512 -5.520 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.050 -3.637 -5.097 1.00 0.00 N ATOM 0 H ARG A 69 -13.736 -2.418 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.355 -4.606 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.398 -4.358 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.069 -5.827 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.282 -3.093 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.004 -4.242 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.444 -5.117 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.292 -5.853 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.294 -3.172 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.990 -6.082 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.469 -5.811 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.179 -2.776 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.730 -3.904 -5.809 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.291 -4.672 1.674 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.461 -5.393 2.956 1.00 0.00 C ATOM 1119 C TYR A 70 -15.908 -5.331 3.437 1.00 0.00 C ATOM 1120 O TYR A 70 -16.236 -5.897 4.464 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.550 -4.739 4.013 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.314 -5.734 5.149 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -12.337 -6.699 5.037 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -14.092 -5.699 6.286 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -12.139 -7.619 6.046 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -13.896 -6.617 7.298 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.917 -7.585 7.186 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.717 -8.502 8.197 1.00 0.00 O ATOM 0 H TYR A 70 -13.777 -3.793 1.730 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.195 -6.439 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.600 -4.448 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.012 -3.830 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.720 -6.736 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.861 -4.947 6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.370 -8.371 5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.513 -6.578 8.184 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.352 -8.331 8.924 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.734 -4.607 2.689 1.00 0.00 N ATOM 1139 CA GLU A 71 -18.185 -4.464 3.048 1.00 0.00 C ATOM 1140 C GLU A 71 -19.081 -5.114 1.994 1.00 0.00 C ATOM 1141 O GLU A 71 -20.141 -5.623 2.304 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.517 -2.963 3.094 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.605 -2.278 4.109 1.00 0.00 C ATOM 1144 CD GLU A 71 -18.024 -2.680 5.523 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -19.169 -2.408 5.847 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.173 -3.232 6.203 1.00 0.00 O ATOM 0 H GLU A 71 -16.455 -4.110 1.843 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.360 -4.950 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.382 -2.518 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.562 -2.818 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.568 -2.561 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.664 -1.196 3.995 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.627 -5.087 0.764 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.429 -5.693 -0.347 1.00 0.00 C ATOM 1155 C ARG A 72 -19.199 -7.199 -0.486 1.00 0.00 C ATOM 1156 O ARG A 72 -19.953 -8.000 0.030 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.001 -5.017 -1.667 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.388 -3.522 -1.638 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.864 -3.355 -2.030 1.00 0.00 C ATOM 1160 NE ARG A 72 -21.156 -1.906 -2.187 1.00 0.00 N ATOM 1161 CZ ARG A 72 -22.396 -1.501 -2.229 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -23.354 -2.384 -2.130 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -22.637 -0.227 -2.366 1.00 0.00 N ATOM 0 H ARG A 72 -17.739 -4.673 0.481 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.484 -5.537 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.925 -5.121 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.482 -5.510 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.219 -3.113 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.755 -2.960 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -21.070 -3.885 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.509 -3.790 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.393 -1.233 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -23.127 -3.373 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.329 -2.085 -2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.863 0.434 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.599 0.109 -2.401 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.157 -7.544 -1.178 1.00 0.00 N ATOM 1178 CA GLU A 73 -17.836 -8.985 -1.385 1.00 0.00 C ATOM 1179 C GLU A 73 -17.653 -9.716 -0.069 1.00 0.00 C ATOM 1180 O GLU A 73 -17.401 -10.905 -0.052 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.514 -9.076 -2.168 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.572 -8.133 -3.370 1.00 0.00 C ATOM 1183 CD GLU A 73 -15.315 -8.323 -4.221 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -14.276 -8.533 -3.613 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -15.463 -8.250 -5.428 1.00 0.00 O ATOM 0 H GLU A 73 -17.507 -6.890 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.664 -9.446 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.677 -8.810 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.346 -10.100 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.462 -8.337 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.644 -7.099 -3.033 1.00 0.00 H new ATOM 1192 N MET A 74 -17.785 -9.005 1.011 1.00 0.00 N ATOM 1193 CA MET A 74 -17.620 -9.642 2.323 1.00 0.00 C ATOM 1194 C MET A 74 -18.825 -10.504 2.697 1.00 0.00 C ATOM 1195 O MET A 74 -18.801 -11.211 3.685 1.00 0.00 O ATOM 1196 CB MET A 74 -17.445 -8.523 3.350 1.00 0.00 C ATOM 1197 CG MET A 74 -17.139 -9.111 4.739 1.00 0.00 C ATOM 1198 SD MET A 74 -16.081 -10.587 4.835 1.00 0.00 S ATOM 1199 CE MET A 74 -14.624 -9.921 3.980 1.00 0.00 C ATOM 0 H MET A 74 -18.001 -8.008 1.033 1.00 0.00 H new ATOM 0 HA MET A 74 -16.755 -10.304 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 74 -16.635 -7.862 3.042 1.00 0.00 H new ATOM 0 HB3 MET A 74 -18.351 -7.918 3.396 1.00 0.00 H new ATOM 0 HG2 MET A 74 -16.672 -8.328 5.336 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.090 -9.351 5.215 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.551 -10.364 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.719 -8.839 3.889 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.727 -10.160 4.551 1.00 0.00 H new ATOM 1209 N LYS A 75 -19.851 -10.438 1.894 1.00 0.00 N ATOM 1210 CA LYS A 75 -21.062 -11.239 2.177 1.00 0.00 C ATOM 1211 C LYS A 75 -20.882 -12.683 1.721 1.00 0.00 C ATOM 1212 O LYS A 75 -21.850 -13.414 1.601 1.00 0.00 O ATOM 1213 CB LYS A 75 -22.229 -10.622 1.392 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.532 -9.232 1.952 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.804 -8.678 1.289 1.00 0.00 C ATOM 1216 CE LYS A 75 -23.624 -8.640 -0.240 1.00 0.00 C ATOM 1217 NZ LYS A 75 -23.978 -9.959 -0.839 1.00 0.00 N ATOM 0 H LYS A 75 -19.898 -9.861 1.054 1.00 0.00 H new ATOM 0 HA LYS A 75 -21.252 -11.235 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.976 -10.554 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.111 -11.258 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.666 -9.285 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.692 -8.563 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -24.660 -9.301 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -24.013 -7.676 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -24.253 -7.859 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.592 -8.388 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.130 -10.387 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.350 -10.588 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.702 -9.824 -1.574 1.00 0.00 H new ATOM 1231 N THR A 76 -19.637 -13.068 1.473 1.00 0.00 N ATOM 1232 CA THR A 76 -19.360 -14.476 1.016 1.00 0.00 C ATOM 1233 C THR A 76 -18.011 -14.995 1.527 1.00 0.00 C ATOM 1234 O THR A 76 -17.880 -16.167 1.825 1.00 0.00 O ATOM 1235 CB THR A 76 -19.313 -14.487 -0.521 1.00 0.00 C ATOM 1236 OG1 THR A 76 -18.139 -13.779 -0.861 1.00 0.00 O ATOM 1237 CG2 THR A 76 -20.454 -13.648 -1.127 1.00 0.00 C ATOM 0 H THR A 76 -18.814 -12.473 1.567 1.00 0.00 H new ATOM 0 HA THR A 76 -20.149 -15.116 1.410 1.00 0.00 H new ATOM 0 HB THR A 76 -19.371 -15.515 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 -18.227 -12.845 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.390 -13.678 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.414 -14.055 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.367 -12.616 -0.787 1.00 0.00 H new ATOM 1245 N TYR A 77 -17.031 -14.134 1.624 1.00 0.00 N ATOM 1246 CA TYR A 77 -15.709 -14.611 2.117 1.00 0.00 C ATOM 1247 C TYR A 77 -15.801 -15.034 3.574 1.00 0.00 C ATOM 1248 O TYR A 77 -16.100 -16.169 3.862 1.00 0.00 O ATOM 1249 CB TYR A 77 -14.687 -13.463 1.983 1.00 0.00 C ATOM 1250 CG TYR A 77 -13.318 -13.835 2.634 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -12.864 -15.154 2.715 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -12.485 -12.832 3.089 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -11.619 -15.433 3.228 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -11.243 -13.124 3.601 1.00 0.00 C ATOM 1255 CZ TYR A 77 -10.802 -14.425 3.676 1.00 0.00 C ATOM 1256 OH TYR A 77 -9.560 -14.711 4.200 1.00 0.00 O ATOM 0 H TYR A 77 -17.087 -13.143 1.389 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.396 -15.471 1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -14.538 -13.229 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.084 -12.565 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.496 -15.960 2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.814 -11.804 3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.280 -16.457 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.607 -12.323 3.948 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.118 -13.878 4.466 1.00 0.00 H new ATOM 1266 N ILE A 78 -15.529 -14.091 4.457 1.00 0.00 N ATOM 1267 CA ILE A 78 -15.583 -14.367 5.939 1.00 0.00 C ATOM 1268 C ILE A 78 -14.795 -15.658 6.345 1.00 0.00 C ATOM 1269 O ILE A 78 -15.333 -16.747 6.292 1.00 0.00 O ATOM 1270 CB ILE A 78 -17.056 -14.562 6.331 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -17.863 -13.285 6.002 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -17.120 -14.826 7.863 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -19.354 -13.634 5.831 1.00 0.00 C ATOM 0 H ILE A 78 -15.270 -13.135 4.212 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.122 -13.523 6.453 1.00 0.00 H new ATOM 0 HB ILE A 78 -17.479 -15.400 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.742 -12.552 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -17.481 -12.828 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.158 -14.968 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.547 -15.722 8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.700 -13.974 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -19.915 -12.729 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -19.469 -14.350 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -19.734 -14.070 6.755 1.00 0.00 H new ATOM 1285 N PRO A 79 -13.533 -15.516 6.790 1.00 0.00 N ATOM 1286 CA PRO A 79 -12.754 -16.693 7.180 1.00 0.00 C ATOM 1287 C PRO A 79 -13.473 -17.475 8.312 1.00 0.00 C ATOM 1288 O PRO A 79 -14.469 -17.017 8.839 1.00 0.00 O ATOM 1289 CB PRO A 79 -11.381 -16.125 7.670 1.00 0.00 C ATOM 1290 CG PRO A 79 -11.402 -14.580 7.403 1.00 0.00 C ATOM 1291 CD PRO A 79 -12.839 -14.218 6.948 1.00 0.00 C ATOM 0 HA PRO A 79 -12.629 -17.396 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.235 -16.331 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.556 -16.597 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.133 -14.029 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.675 -14.311 6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.340 -13.591 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -12.827 -13.661 6.011 1.00 0.00 H new ATOM 1299 N PRO A 80 -12.950 -18.652 8.662 1.00 0.00 N ATOM 1300 CA PRO A 80 -13.555 -19.464 9.713 1.00 0.00 C ATOM 1301 C PRO A 80 -13.430 -18.794 11.083 1.00 0.00 C ATOM 1302 O PRO A 80 -13.162 -17.611 11.185 1.00 0.00 O ATOM 1303 CB PRO A 80 -12.761 -20.812 9.693 1.00 0.00 C ATOM 1304 CG PRO A 80 -11.573 -20.626 8.693 1.00 0.00 C ATOM 1305 CD PRO A 80 -11.748 -19.232 8.035 1.00 0.00 C ATOM 0 HA PRO A 80 -14.622 -19.605 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.392 -21.058 10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.404 -21.634 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.617 -20.690 9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.578 -21.412 7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.874 -18.604 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.871 -19.320 6.956 1.00 0.00 H new ATOM 1313 N LYS A 81 -13.623 -19.586 12.100 1.00 0.00 N ATOM 1314 CA LYS A 81 -13.535 -19.073 13.489 1.00 0.00 C ATOM 1315 C LYS A 81 -12.093 -19.063 13.984 1.00 0.00 C ATOM 1316 O LYS A 81 -11.808 -19.514 15.077 1.00 0.00 O ATOM 1317 CB LYS A 81 -14.363 -20.004 14.386 1.00 0.00 C ATOM 1318 CG LYS A 81 -15.779 -20.111 13.809 1.00 0.00 C ATOM 1319 CD LYS A 81 -16.672 -20.916 14.771 1.00 0.00 C ATOM 1320 CE LYS A 81 -16.267 -22.401 14.757 1.00 0.00 C ATOM 1321 NZ LYS A 81 -16.024 -22.878 13.366 1.00 0.00 N ATOM 0 H LYS A 81 -13.841 -20.580 12.023 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.910 -18.050 13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.900 -20.990 14.437 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.398 -19.615 15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.196 -19.116 13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.749 -20.596 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.583 -20.517 15.781 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.717 -20.814 14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.367 -22.541 15.355 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.053 -23.000 15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.138 -23.911 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.706 -22.430 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.057 -22.626 13.076 1.00 0.00 H new ATOM 1335 N GLY A 82 -11.210 -18.553 13.171 1.00 0.00 N ATOM 1336 CA GLY A 82 -9.776 -18.505 13.581 1.00 0.00 C ATOM 1337 C GLY A 82 -9.112 -19.877 13.419 1.00 0.00 C ATOM 1338 O GLY A 82 -8.066 -20.129 13.983 1.00 0.00 O ATOM 0 H GLY A 82 -11.415 -18.170 12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.246 -17.767 12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.702 -18.181 14.619 1.00 0.00 H new ATOM 1342 N GLU A 83 -9.729 -20.739 12.655 1.00 0.00 N ATOM 1343 CA GLU A 83 -9.136 -22.086 12.457 1.00 0.00 C ATOM 1344 C GLU A 83 -7.933 -22.014 11.529 1.00 0.00 C ATOM 1345 O GLU A 83 -7.078 -22.871 11.681 1.00 0.00 O ATOM 1346 CB GLU A 83 -10.193 -22.999 11.821 1.00 0.00 C ATOM 1347 CG GLU A 83 -11.322 -23.236 12.822 1.00 0.00 C ATOM 1348 CD GLU A 83 -12.435 -24.040 12.147 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -12.236 -25.236 12.018 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -13.419 -23.410 11.797 1.00 0.00 O ATOM 1351 OXT GLU A 83 -7.930 -21.103 10.717 1.00 0.00 O ATOM 0 H GLU A 83 -10.608 -20.568 12.166 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.814 -22.476 13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.586 -22.542 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.743 -23.949 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.945 -23.774 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.712 -22.283 13.180 1.00 0.00 H new TER 1358 GLU A 83