USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=34 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= -14.5! C(o=-18!,f=-23!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 163:sc= -0.089 (180deg=-0.839) USER MOD Set 1.3: A 30 HIS : no HE2:sc= -3.63! C(o=-18!,f=-20!) USER MOD Set 2.1: A 22 SER OG : rot 44:sc= 0.76 USER MOD Set 2.2: A 44 CYS SG : rot 119:sc= -8.03! USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0873 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= -1.1 (180deg=-1.72) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.305 (180deg=0.101) USER MOD Single : A 12 MET CE :methyl 164:sc= -1.06 (180deg=-1.99) USER MOD Single : A 13 SER OG : rot 180:sc= -0.289 USER MOD Single : A 14 SER OG : rot 180:sc= -0.146 USER MOD Single : A 15 TYR OH : rot 174:sc= -1.94 USER MOD Single : A 20 GLN : amide:sc= -0.993 K(o=-0.99,f=-2.6) USER MOD Single : A 21 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.0915 (180deg=-0.572) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -1.64 (180deg=-4.06!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.33 USER MOD Single : A 36 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.48) USER MOD Single : A 38 SER OG : rot -31:sc= 0.73 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.095 (180deg=-0.655) 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 -164:sc= -0.351 (180deg=-0.953) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.136) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -4.03! (180deg=-4.39!) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc=-0.00947 (180deg=-0.222) USER MOD Single : A 62 MET CE :methyl -177:sc= -0.325 (180deg=-0.338) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= -0.154 (180deg=-0.946) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.607 (180deg=-0.701) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 0.157 (180deg=-0.00507) USER MOD Single : A 76 THR OG1 : rot -130:sc= -0.792 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0323 USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.396 -23.406 13.399 1.00 0.00 N ATOM 2 CA GLY A 1 -19.821 -22.223 14.097 1.00 0.00 C ATOM 3 C GLY A 1 -18.796 -21.534 13.195 1.00 0.00 C ATOM 4 O GLY A 1 -18.698 -21.830 12.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.401 -23.502 13.648 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.305 -23.280 12.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.884 -24.263 13.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.615 -21.524 14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.348 -22.534 15.029 1.00 0.00 H new ATOM 10 N LYS A 2 -18.052 -20.628 13.766 1.00 0.00 N ATOM 11 CA LYS A 2 -17.031 -19.912 12.964 1.00 0.00 C ATOM 12 C LYS A 2 -15.980 -20.880 12.432 1.00 0.00 C ATOM 13 O LYS A 2 -15.373 -21.616 13.183 1.00 0.00 O ATOM 14 CB LYS A 2 -16.341 -18.885 13.872 1.00 0.00 C ATOM 15 CG LYS A 2 -15.275 -18.136 13.069 1.00 0.00 C ATOM 16 CD LYS A 2 -14.814 -16.910 13.864 1.00 0.00 C ATOM 17 CE LYS A 2 -14.268 -17.361 15.223 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.469 -18.612 15.078 1.00 0.00 N ATOM 0 H LYS A 2 -18.109 -20.356 14.747 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.517 -19.427 12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.074 -18.183 14.269 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.885 -19.386 14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.428 -18.792 12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.679 -17.828 12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.044 -16.372 13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.646 -16.220 14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.647 -16.574 15.651 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.093 -17.528 15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.748 -18.652 15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.098 -19.437 15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.004 -18.621 14.148 1.00 0.00 H new ATOM 32 N GLY A 3 -15.785 -20.861 11.141 1.00 0.00 N ATOM 33 CA GLY A 3 -14.774 -21.777 10.536 1.00 0.00 C ATOM 34 C GLY A 3 -14.878 -21.750 9.010 1.00 0.00 C ATOM 35 O GLY A 3 -15.172 -22.756 8.392 1.00 0.00 O ATOM 0 H GLY A 3 -16.277 -20.256 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.772 -21.478 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.930 -22.793 10.900 1.00 0.00 H new ATOM 39 N ASP A 4 -14.632 -20.590 8.436 1.00 0.00 N ATOM 40 CA ASP A 4 -14.707 -20.456 6.952 1.00 0.00 C ATOM 41 C ASP A 4 -13.809 -19.310 6.468 1.00 0.00 C ATOM 42 O ASP A 4 -14.293 -18.292 6.014 1.00 0.00 O ATOM 43 CB ASP A 4 -16.163 -20.120 6.581 1.00 0.00 C ATOM 44 CG ASP A 4 -17.094 -21.206 7.125 1.00 0.00 C ATOM 45 OD1 ASP A 4 -17.101 -22.267 6.522 1.00 0.00 O ATOM 46 OD2 ASP A 4 -17.747 -20.914 8.115 1.00 0.00 O ATOM 0 H ASP A 4 -14.384 -19.736 8.936 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.378 -21.385 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.439 -19.150 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.266 -20.047 5.498 1.00 0.00 H new ATOM 51 N PRO A 5 -12.495 -19.498 6.581 1.00 0.00 N ATOM 52 CA PRO A 5 -11.544 -18.473 6.153 1.00 0.00 C ATOM 53 C PRO A 5 -11.697 -18.143 4.668 1.00 0.00 C ATOM 54 O PRO A 5 -11.084 -17.220 4.174 1.00 0.00 O ATOM 55 CB PRO A 5 -10.133 -19.077 6.448 1.00 0.00 C ATOM 56 CG PRO A 5 -10.365 -20.450 7.169 1.00 0.00 C ATOM 57 CD PRO A 5 -11.892 -20.725 7.142 1.00 0.00 C ATOM 0 HA PRO A 5 -11.708 -17.534 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.572 -19.216 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.549 -18.405 7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.821 -21.248 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.998 -20.414 8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.125 -21.595 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.273 -20.930 8.142 1.00 0.00 H new ATOM 65 N LYS A 6 -12.512 -18.895 3.985 1.00 0.00 N ATOM 66 CA LYS A 6 -12.698 -18.613 2.546 1.00 0.00 C ATOM 67 C LYS A 6 -13.234 -17.200 2.402 1.00 0.00 C ATOM 68 O LYS A 6 -13.330 -16.658 1.318 1.00 0.00 O ATOM 69 CB LYS A 6 -13.719 -19.618 1.959 1.00 0.00 C ATOM 70 CG LYS A 6 -13.066 -21.021 1.820 1.00 0.00 C ATOM 71 CD LYS A 6 -13.195 -21.793 3.143 1.00 0.00 C ATOM 72 CE LYS A 6 -12.617 -23.198 2.968 1.00 0.00 C ATOM 73 NZ LYS A 6 -11.126 -23.153 2.998 1.00 0.00 N ATOM 0 H LYS A 6 -13.047 -19.679 4.357 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.752 -18.710 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.595 -19.678 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.064 -19.271 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.548 -21.578 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.015 -20.917 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.666 -21.266 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.242 -21.853 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.984 -23.851 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.956 -23.623 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.747 -24.114 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.781 -22.546 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.809 -22.767 3.910 1.00 0.00 H new ATOM 87 N LYS A 7 -13.576 -16.642 3.531 1.00 0.00 N ATOM 88 CA LYS A 7 -14.111 -15.274 3.564 1.00 0.00 C ATOM 89 C LYS A 7 -13.089 -14.298 2.927 1.00 0.00 C ATOM 90 O LYS A 7 -11.914 -14.608 2.877 1.00 0.00 O ATOM 91 CB LYS A 7 -14.316 -14.934 5.076 1.00 0.00 C ATOM 92 CG LYS A 7 -12.958 -14.607 5.730 1.00 0.00 C ATOM 93 CD LYS A 7 -13.074 -14.769 7.253 1.00 0.00 C ATOM 94 CE LYS A 7 -14.195 -13.868 7.775 1.00 0.00 C ATOM 95 NZ LYS A 7 -14.112 -13.737 9.256 1.00 0.00 N ATOM 0 H LYS A 7 -13.502 -17.094 4.442 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.043 -15.186 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.992 -14.085 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.782 -15.776 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.185 -15.270 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.659 -13.588 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.281 -15.809 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.130 -14.508 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.124 -12.884 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.163 -14.283 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.880 -13.122 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.203 -14.676 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.195 -13.321 9.517 1.00 0.00 H new ATOM 109 N PRO A 8 -13.559 -13.136 2.424 1.00 0.00 N ATOM 110 CA PRO A 8 -12.661 -12.149 1.804 1.00 0.00 C ATOM 111 C PRO A 8 -11.383 -11.950 2.636 1.00 0.00 C ATOM 112 O PRO A 8 -11.433 -11.882 3.849 1.00 0.00 O ATOM 113 CB PRO A 8 -13.514 -10.848 1.737 1.00 0.00 C ATOM 114 CG PRO A 8 -15.005 -11.295 1.872 1.00 0.00 C ATOM 115 CD PRO A 8 -14.987 -12.745 2.431 1.00 0.00 C ATOM 0 HA PRO A 8 -12.311 -12.464 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.240 -10.161 2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.349 -10.323 0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.550 -10.629 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.509 -11.259 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.403 -12.786 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.584 -13.415 1.812 1.00 0.00 H new ATOM 123 N ARG A 9 -10.262 -11.892 1.943 1.00 0.00 N ATOM 124 CA ARG A 9 -8.941 -11.705 2.624 1.00 0.00 C ATOM 125 C ARG A 9 -8.980 -10.673 3.732 1.00 0.00 C ATOM 126 O ARG A 9 -9.069 -11.024 4.892 1.00 0.00 O ATOM 127 CB ARG A 9 -7.910 -11.265 1.561 1.00 0.00 C ATOM 128 CG ARG A 9 -6.496 -11.358 2.148 1.00 0.00 C ATOM 129 CD ARG A 9 -5.516 -10.647 1.209 1.00 0.00 C ATOM 130 NE ARG A 9 -5.749 -11.121 -0.183 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.133 -10.536 -1.175 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.324 -9.544 -0.919 1.00 0.00 N ATOM 133 NH2 ARG A 9 -5.350 -10.959 -2.390 1.00 0.00 N ATOM 0 H ARG A 9 -10.211 -11.967 0.927 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.670 -12.654 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.990 -11.898 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.116 -10.244 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.468 -10.900 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.208 -12.402 2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.655 -9.567 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.489 -10.853 1.510 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.386 -11.898 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.181 -9.238 0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.834 -9.075 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.992 -11.735 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.878 -10.514 -3.177 1.00 0.00 H new ATOM 147 N GLY A 10 -8.919 -9.430 3.369 1.00 0.00 N ATOM 148 CA GLY A 10 -8.947 -8.376 4.396 1.00 0.00 C ATOM 149 C GLY A 10 -8.396 -7.084 3.809 1.00 0.00 C ATOM 150 O GLY A 10 -7.229 -7.003 3.486 1.00 0.00 O ATOM 0 H GLY A 10 -8.851 -9.103 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.967 -8.223 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.354 -8.678 5.259 1.00 0.00 H new ATOM 154 N LYS A 11 -9.265 -6.118 3.666 1.00 0.00 N ATOM 155 CA LYS A 11 -8.846 -4.794 3.096 1.00 0.00 C ATOM 156 C LYS A 11 -7.477 -4.318 3.650 1.00 0.00 C ATOM 157 O LYS A 11 -7.295 -4.152 4.835 1.00 0.00 O ATOM 158 CB LYS A 11 -9.961 -3.724 3.406 1.00 0.00 C ATOM 159 CG LYS A 11 -10.833 -4.140 4.621 1.00 0.00 C ATOM 160 CD LYS A 11 -9.979 -4.193 5.892 1.00 0.00 C ATOM 161 CE LYS A 11 -10.900 -4.246 7.112 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.778 -5.446 7.049 1.00 0.00 N ATOM 0 H LYS A 11 -10.251 -6.185 3.919 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.726 -4.914 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.494 -2.759 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.596 -3.595 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.649 -3.430 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.285 -5.115 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.330 -5.068 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.332 -3.318 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.304 -4.271 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.510 -3.344 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.248 -5.581 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.496 -5.312 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.204 -6.285 6.827 1.00 0.00 H new ATOM 176 N MET A 12 -6.544 -4.123 2.748 1.00 0.00 N ATOM 177 CA MET A 12 -5.184 -3.666 3.165 1.00 0.00 C ATOM 178 C MET A 12 -5.154 -2.163 3.442 1.00 0.00 C ATOM 179 O MET A 12 -6.064 -1.439 3.084 1.00 0.00 O ATOM 180 CB MET A 12 -4.200 -3.981 1.993 1.00 0.00 C ATOM 181 CG MET A 12 -3.486 -5.311 2.248 1.00 0.00 C ATOM 182 SD MET A 12 -2.611 -6.052 0.850 1.00 0.00 S ATOM 183 CE MET A 12 -1.997 -4.506 0.132 1.00 0.00 C ATOM 0 H MET A 12 -6.667 -4.261 1.745 1.00 0.00 H new ATOM 0 HA MET A 12 -4.902 -4.181 4.083 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.747 -4.028 1.051 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.468 -3.179 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.770 -5.162 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.224 -6.029 2.605 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.198 -4.726 -0.576 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.810 -3.997 -0.385 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.612 -3.864 0.925 1.00 0.00 H new ATOM 193 N SER A 13 -4.084 -1.733 4.077 1.00 0.00 N ATOM 194 CA SER A 13 -3.934 -0.291 4.402 1.00 0.00 C ATOM 195 C SER A 13 -3.338 0.444 3.211 1.00 0.00 C ATOM 196 O SER A 13 -2.894 -0.169 2.266 1.00 0.00 O ATOM 197 CB SER A 13 -2.974 -0.161 5.597 1.00 0.00 C ATOM 198 OG SER A 13 -2.985 1.226 5.901 1.00 0.00 O ATOM 0 H SER A 13 -3.312 -2.327 4.381 1.00 0.00 H new ATOM 0 HA SER A 13 -4.907 0.138 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.310 -0.758 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.972 -0.505 5.342 1.00 0.00 H new ATOM 0 HG SER A 13 -2.393 1.399 6.662 1.00 0.00 H new ATOM 204 N SER A 14 -3.324 1.741 3.280 1.00 0.00 N ATOM 205 CA SER A 14 -2.760 2.520 2.158 1.00 0.00 C ATOM 206 C SER A 14 -1.277 2.271 2.007 1.00 0.00 C ATOM 207 O SER A 14 -0.756 2.266 0.908 1.00 0.00 O ATOM 208 CB SER A 14 -2.999 3.997 2.461 1.00 0.00 C ATOM 209 OG SER A 14 -2.196 4.249 3.601 1.00 0.00 O ATOM 0 H SER A 14 -3.678 2.291 4.063 1.00 0.00 H new ATOM 0 HA SER A 14 -3.241 2.221 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.709 4.628 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.051 4.198 2.662 1.00 0.00 H new ATOM 0 HG SER A 14 -2.290 5.188 3.866 1.00 0.00 H new ATOM 215 N TYR A 15 -0.621 2.067 3.103 1.00 0.00 N ATOM 216 CA TYR A 15 0.829 1.814 3.037 1.00 0.00 C ATOM 217 C TYR A 15 1.053 0.416 2.520 1.00 0.00 C ATOM 218 O TYR A 15 1.822 0.200 1.607 1.00 0.00 O ATOM 219 CB TYR A 15 1.421 1.936 4.468 1.00 0.00 C ATOM 220 CG TYR A 15 2.814 1.283 4.518 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.734 1.488 3.500 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.152 0.446 5.556 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.953 0.866 3.527 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.377 -0.177 5.578 1.00 0.00 C ATOM 225 CZ TYR A 15 5.283 0.027 4.564 1.00 0.00 C ATOM 226 OH TYR A 15 6.480 -0.624 4.567 1.00 0.00 O ATOM 0 H TYR A 15 -1.026 2.065 4.039 1.00 0.00 H new ATOM 0 HA TYR A 15 1.312 2.533 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.492 2.986 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.758 1.454 5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.486 2.144 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.450 0.277 6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.660 1.036 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.630 -0.832 6.398 1.00 0.00 H new ATOM 0 HH TYR A 15 6.592 -1.099 5.417 1.00 0.00 H new ATOM 236 N ALA A 16 0.383 -0.512 3.126 1.00 0.00 N ATOM 237 CA ALA A 16 0.530 -1.909 2.695 1.00 0.00 C ATOM 238 C ALA A 16 0.259 -2.031 1.205 1.00 0.00 C ATOM 239 O ALA A 16 0.793 -2.900 0.543 1.00 0.00 O ATOM 240 CB ALA A 16 -0.483 -2.764 3.455 1.00 0.00 C ATOM 0 H ALA A 16 -0.260 -0.358 3.902 1.00 0.00 H new ATOM 0 HA ALA A 16 1.547 -2.245 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.386 -3.805 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.295 -2.685 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.492 -2.413 3.237 1.00 0.00 H new ATOM 246 N PHE A 17 -0.571 -1.150 0.694 1.00 0.00 N ATOM 247 CA PHE A 17 -0.878 -1.207 -0.757 1.00 0.00 C ATOM 248 C PHE A 17 0.349 -0.801 -1.548 1.00 0.00 C ATOM 249 O PHE A 17 0.598 -1.305 -2.621 1.00 0.00 O ATOM 250 CB PHE A 17 -2.060 -0.210 -1.041 1.00 0.00 C ATOM 251 CG PHE A 17 -3.304 -0.960 -1.550 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.441 -1.253 -2.894 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.329 -1.304 -0.681 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.581 -1.871 -3.361 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.466 -1.923 -1.153 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.593 -2.203 -2.491 1.00 0.00 C ATOM 0 H PHE A 17 -1.038 -0.408 1.216 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.162 -2.217 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.307 0.335 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.748 0.528 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.650 -0.996 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.235 -1.085 0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.680 -2.095 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.259 -2.188 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.487 -2.684 -2.860 1.00 0.00 H new ATOM 266 N PHE A 18 1.095 0.097 -0.991 1.00 0.00 N ATOM 267 CA PHE A 18 2.319 0.561 -1.680 1.00 0.00 C ATOM 268 C PHE A 18 3.424 -0.463 -1.493 1.00 0.00 C ATOM 269 O PHE A 18 4.390 -0.473 -2.231 1.00 0.00 O ATOM 270 CB PHE A 18 2.729 1.934 -1.077 1.00 0.00 C ATOM 271 CG PHE A 18 4.220 2.214 -1.314 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.179 1.625 -0.513 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.621 3.067 -2.327 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.517 1.886 -0.721 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.960 3.324 -2.531 1.00 0.00 C ATOM 276 CZ PHE A 18 6.904 2.732 -1.728 1.00 0.00 C ATOM 0 H PHE A 18 0.911 0.532 -0.087 1.00 0.00 H new ATOM 0 HA PHE A 18 2.139 0.676 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.130 2.726 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.519 1.943 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.879 0.956 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.882 3.534 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.261 1.423 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.267 3.991 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.953 2.933 -1.890 1.00 0.00 H new ATOM 286 N VAL A 19 3.261 -1.320 -0.496 1.00 0.00 N ATOM 287 CA VAL A 19 4.288 -2.346 -0.252 1.00 0.00 C ATOM 288 C VAL A 19 4.118 -3.462 -1.211 1.00 0.00 C ATOM 289 O VAL A 19 5.063 -3.885 -1.792 1.00 0.00 O ATOM 290 CB VAL A 19 4.173 -2.898 1.193 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.128 -4.109 1.358 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.588 -1.799 2.183 1.00 0.00 C ATOM 0 H VAL A 19 2.464 -1.336 0.140 1.00 0.00 H new ATOM 0 HA VAL A 19 5.269 -1.890 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 19 3.146 -3.209 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.049 -4.499 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.853 -4.889 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.154 -3.792 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.510 -2.179 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.617 -1.501 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.931 -0.937 2.066 1.00 0.00 H new ATOM 302 N GLN A 20 2.910 -3.934 -1.366 1.00 0.00 N ATOM 303 CA GLN A 20 2.724 -5.039 -2.314 1.00 0.00 C ATOM 304 C GLN A 20 3.172 -4.569 -3.678 1.00 0.00 C ATOM 305 O GLN A 20 3.605 -5.341 -4.511 1.00 0.00 O ATOM 306 CB GLN A 20 1.223 -5.491 -2.315 1.00 0.00 C ATOM 307 CG GLN A 20 0.367 -4.637 -3.294 1.00 0.00 C ATOM 308 CD GLN A 20 0.311 -5.300 -4.689 1.00 0.00 C ATOM 309 OE1 GLN A 20 1.125 -6.126 -5.040 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.644 -4.959 -5.510 1.00 0.00 N ATOM 0 H GLN A 20 2.072 -3.605 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 20 3.320 -5.905 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.159 -6.542 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.817 -5.407 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.642 -4.524 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.791 -3.636 -3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.336 -4.265 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.699 -5.387 -6.434 1.00 0.00 H new ATOM 319 N THR A 21 3.094 -3.276 -3.854 1.00 0.00 N ATOM 320 CA THR A 21 3.502 -2.684 -5.137 1.00 0.00 C ATOM 321 C THR A 21 5.007 -2.581 -5.170 1.00 0.00 C ATOM 322 O THR A 21 5.617 -2.672 -6.218 1.00 0.00 O ATOM 323 CB THR A 21 2.882 -1.289 -5.243 1.00 0.00 C ATOM 324 OG1 THR A 21 1.488 -1.497 -5.148 1.00 0.00 O ATOM 325 CG2 THR A 21 3.079 -0.707 -6.640 1.00 0.00 C ATOM 0 H THR A 21 2.762 -2.612 -3.155 1.00 0.00 H new ATOM 0 HA THR A 21 3.166 -3.300 -5.971 1.00 0.00 H new ATOM 0 HB THR A 21 3.320 -0.634 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.238 -1.611 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.629 0.285 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.145 -0.633 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.604 -1.357 -7.375 1.00 0.00 H new ATOM 333 N SER A 22 5.585 -2.399 -4.001 1.00 0.00 N ATOM 334 CA SER A 22 7.066 -2.288 -3.916 1.00 0.00 C ATOM 335 C SER A 22 7.665 -3.677 -3.824 1.00 0.00 C ATOM 336 O SER A 22 8.833 -3.867 -4.038 1.00 0.00 O ATOM 337 CB SER A 22 7.425 -1.507 -2.640 1.00 0.00 C ATOM 338 OG SER A 22 8.827 -1.305 -2.742 1.00 0.00 O ATOM 0 H SER A 22 5.091 -2.324 -3.112 1.00 0.00 H new ATOM 0 HA SER A 22 7.454 -1.777 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.888 -0.560 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.167 -2.069 -1.742 1.00 0.00 H new ATOM 0 HG SER A 22 9.053 -1.035 -3.657 1.00 0.00 H new ATOM 344 N ARG A 23 6.819 -4.624 -3.512 1.00 0.00 N ATOM 345 CA ARG A 23 7.261 -6.036 -3.383 1.00 0.00 C ATOM 346 C ARG A 23 7.538 -6.652 -4.738 1.00 0.00 C ATOM 347 O ARG A 23 8.552 -7.288 -4.941 1.00 0.00 O ATOM 348 CB ARG A 23 6.117 -6.805 -2.699 1.00 0.00 C ATOM 349 CG ARG A 23 6.600 -8.181 -2.209 1.00 0.00 C ATOM 350 CD ARG A 23 5.688 -8.645 -1.055 1.00 0.00 C ATOM 351 NE ARG A 23 5.858 -10.114 -0.855 1.00 0.00 N ATOM 352 CZ ARG A 23 5.218 -10.950 -1.633 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.444 -10.478 -2.573 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.371 -12.232 -1.438 1.00 0.00 N ATOM 0 H ARG A 23 5.825 -4.472 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 23 8.184 -6.083 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.737 -6.227 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.290 -6.932 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.573 -8.903 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.635 -8.120 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.939 -8.110 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.647 -8.415 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 23 6.469 -10.464 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.344 -9.470 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.939 -11.117 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.980 -12.565 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.881 -12.900 -2.033 1.00 0.00 H new ATOM 368 N GLU A 24 6.636 -6.454 -5.638 1.00 0.00 N ATOM 369 CA GLU A 24 6.824 -7.018 -6.992 1.00 0.00 C ATOM 370 C GLU A 24 8.083 -6.449 -7.626 1.00 0.00 C ATOM 371 O GLU A 24 8.772 -7.124 -8.367 1.00 0.00 O ATOM 372 CB GLU A 24 5.608 -6.634 -7.849 1.00 0.00 C ATOM 373 CG GLU A 24 4.415 -7.495 -7.429 1.00 0.00 C ATOM 374 CD GLU A 24 3.163 -7.032 -8.177 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.749 -5.919 -7.904 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.692 -7.822 -8.982 1.00 0.00 O ATOM 0 H GLU A 24 5.774 -5.926 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 24 6.921 -8.102 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.374 -5.577 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.829 -6.785 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.615 -8.544 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.258 -7.418 -6.353 1.00 0.00 H new ATOM 383 N GLU A 25 8.358 -5.209 -7.321 1.00 0.00 N ATOM 384 CA GLU A 25 9.558 -4.558 -7.882 1.00 0.00 C ATOM 385 C GLU A 25 10.818 -5.050 -7.153 1.00 0.00 C ATOM 386 O GLU A 25 11.899 -5.080 -7.709 1.00 0.00 O ATOM 387 CB GLU A 25 9.364 -2.995 -7.720 1.00 0.00 C ATOM 388 CG GLU A 25 10.386 -2.384 -6.733 1.00 0.00 C ATOM 389 CD GLU A 25 10.046 -0.912 -6.502 1.00 0.00 C ATOM 390 OE1 GLU A 25 10.009 -0.202 -7.493 1.00 0.00 O ATOM 391 OE2 GLU A 25 9.838 -0.581 -5.347 1.00 0.00 O ATOM 0 H GLU A 25 7.795 -4.623 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 25 9.685 -4.807 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.467 -2.514 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.353 -2.790 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.366 -2.927 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.396 -2.478 -7.133 1.00 0.00 H new ATOM 398 N HIS A 26 10.634 -5.425 -5.918 1.00 0.00 N ATOM 399 CA HIS A 26 11.777 -5.923 -5.104 1.00 0.00 C ATOM 400 C HIS A 26 12.057 -7.381 -5.448 1.00 0.00 C ATOM 401 O HIS A 26 13.147 -7.865 -5.267 1.00 0.00 O ATOM 402 CB HIS A 26 11.365 -5.764 -3.598 1.00 0.00 C ATOM 403 CG HIS A 26 11.898 -6.896 -2.698 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.720 -6.732 -1.771 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.531 -8.226 -2.635 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.910 -7.804 -1.121 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.189 -8.820 -1.597 1.00 0.00 N ATOM 0 H HIS A 26 9.736 -5.408 -5.435 1.00 0.00 H new ATOM 0 HA HIS A 26 12.689 -5.362 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.735 -4.809 -3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.278 -5.734 -3.527 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.181 -5.846 -1.563 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.836 -8.717 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.580 -7.885 -0.278 1.00 0.00 H new ATOM 415 N LYS A 27 11.069 -8.042 -5.965 1.00 0.00 N ATOM 416 CA LYS A 27 11.259 -9.462 -6.327 1.00 0.00 C ATOM 417 C LYS A 27 12.314 -9.610 -7.431 1.00 0.00 C ATOM 418 O LYS A 27 12.945 -10.641 -7.560 1.00 0.00 O ATOM 419 CB LYS A 27 9.916 -10.004 -6.850 1.00 0.00 C ATOM 420 CG LYS A 27 10.004 -11.524 -7.006 1.00 0.00 C ATOM 421 CD LYS A 27 8.631 -12.065 -7.404 1.00 0.00 C ATOM 422 CE LYS A 27 8.728 -13.578 -7.596 1.00 0.00 C ATOM 423 NZ LYS A 27 9.652 -13.902 -8.720 1.00 0.00 N ATOM 0 H LYS A 27 10.141 -7.661 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 27 11.596 -10.014 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.114 -9.745 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.674 -9.543 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.744 -11.782 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.332 -11.980 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.896 -11.830 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.292 -11.590 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.084 -14.045 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.739 -13.989 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.208 -14.607 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.854 -13.038 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.540 -14.287 -8.339 1.00 0.00 H new ATOM 437 N LYS A 28 12.488 -8.561 -8.197 1.00 0.00 N ATOM 438 CA LYS A 28 13.488 -8.596 -9.309 1.00 0.00 C ATOM 439 C LYS A 28 14.898 -8.238 -8.830 1.00 0.00 C ATOM 440 O LYS A 28 15.789 -8.044 -9.638 1.00 0.00 O ATOM 441 CB LYS A 28 13.057 -7.552 -10.340 1.00 0.00 C ATOM 442 CG LYS A 28 11.801 -8.040 -11.058 1.00 0.00 C ATOM 443 CD LYS A 28 11.239 -6.901 -11.920 1.00 0.00 C ATOM 444 CE LYS A 28 12.268 -6.508 -12.997 1.00 0.00 C ATOM 445 NZ LYS A 28 13.260 -5.547 -12.444 1.00 0.00 N ATOM 0 H LYS A 28 11.980 -7.682 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 28 13.520 -9.605 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.862 -6.599 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.858 -7.382 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.036 -8.903 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.056 -8.365 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.307 -7.214 -12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.006 -6.039 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.780 -7.399 -13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.758 -6.062 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.346 -4.730 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.944 -5.223 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.184 -6.015 -12.355 1.00 0.00 H new ATOM 459 N LYS A 29 15.079 -8.156 -7.536 1.00 0.00 N ATOM 460 CA LYS A 29 16.437 -7.808 -6.995 1.00 0.00 C ATOM 461 C LYS A 29 16.644 -8.396 -5.579 1.00 0.00 C ATOM 462 O LYS A 29 17.643 -8.141 -4.936 1.00 0.00 O ATOM 463 CB LYS A 29 16.548 -6.251 -6.991 1.00 0.00 C ATOM 464 CG LYS A 29 17.884 -5.794 -6.359 1.00 0.00 C ATOM 465 CD LYS A 29 18.279 -4.425 -6.932 1.00 0.00 C ATOM 466 CE LYS A 29 17.203 -3.405 -6.557 1.00 0.00 C ATOM 467 NZ LYS A 29 16.906 -3.477 -5.097 1.00 0.00 N ATOM 0 H LYS A 29 14.356 -8.312 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 29 17.219 -8.240 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.476 -5.875 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.713 -5.824 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.784 -5.731 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.665 -6.526 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.247 -4.115 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.381 -4.485 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.538 -2.401 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.295 -3.597 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.406 -2.614 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.309 -4.307 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.796 -3.560 -4.565 1.00 0.00 H new ATOM 481 N HIS A 30 15.689 -9.206 -5.143 1.00 0.00 N ATOM 482 CA HIS A 30 15.785 -9.843 -3.777 1.00 0.00 C ATOM 483 C HIS A 30 15.210 -11.276 -3.804 1.00 0.00 C ATOM 484 O HIS A 30 14.222 -11.557 -3.157 1.00 0.00 O ATOM 485 CB HIS A 30 14.918 -9.041 -2.796 1.00 0.00 C ATOM 486 CG HIS A 30 15.468 -7.631 -2.579 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.948 -7.215 -1.505 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.471 -6.552 -3.423 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.251 -5.988 -1.576 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.983 -5.471 -2.772 1.00 0.00 N ATOM 0 H HIS A 30 14.853 -9.451 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 30 16.834 -9.860 -3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.899 -8.980 -3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.870 -9.564 -1.841 1.00 0.00 H new ATOM 0 HD1 HIS A 30 16.080 -7.791 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.122 -6.558 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.678 -5.425 -0.759 1.00 0.00 H new ATOM 498 N PRO A 31 15.837 -12.166 -4.560 1.00 0.00 N ATOM 499 CA PRO A 31 15.359 -13.548 -4.644 1.00 0.00 C ATOM 500 C PRO A 31 15.701 -14.331 -3.369 1.00 0.00 C ATOM 501 O PRO A 31 15.143 -15.383 -3.118 1.00 0.00 O ATOM 502 CB PRO A 31 16.125 -14.152 -5.865 1.00 0.00 C ATOM 503 CG PRO A 31 17.245 -13.125 -6.255 1.00 0.00 C ATOM 504 CD PRO A 31 17.026 -11.857 -5.384 1.00 0.00 C ATOM 0 HA PRO A 31 14.276 -13.597 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.560 -15.118 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.447 -14.320 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.234 -13.548 -6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.189 -12.878 -7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.896 -11.650 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.860 -10.975 -6.003 1.00 0.00 H new ATOM 512 N ASP A 32 16.606 -13.781 -2.593 1.00 0.00 N ATOM 513 CA ASP A 32 17.033 -14.452 -1.316 1.00 0.00 C ATOM 514 C ASP A 32 16.259 -13.950 -0.103 1.00 0.00 C ATOM 515 O ASP A 32 16.031 -14.685 0.834 1.00 0.00 O ATOM 516 CB ASP A 32 18.516 -14.122 -1.104 1.00 0.00 C ATOM 517 CG ASP A 32 18.688 -12.603 -1.034 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.559 -12.094 0.067 1.00 0.00 O ATOM 519 OD2 ASP A 32 18.935 -12.037 -2.087 1.00 0.00 O ATOM 0 H ASP A 32 17.070 -12.894 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 32 16.844 -15.522 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.876 -14.584 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.112 -14.530 -1.920 1.00 0.00 H new ATOM 524 N ALA A 33 15.878 -12.718 -0.139 1.00 0.00 N ATOM 525 CA ALA A 33 15.122 -12.152 1.007 1.00 0.00 C ATOM 526 C ALA A 33 13.836 -12.930 1.294 1.00 0.00 C ATOM 527 O ALA A 33 13.424 -13.038 2.430 1.00 0.00 O ATOM 528 CB ALA A 33 14.755 -10.700 0.672 1.00 0.00 C ATOM 0 H ALA A 33 16.054 -12.073 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 33 15.753 -12.214 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.198 -10.265 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.665 -10.124 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.141 -10.678 -0.228 1.00 0.00 H new ATOM 534 N SER A 34 13.223 -13.446 0.257 1.00 0.00 N ATOM 535 CA SER A 34 11.960 -14.221 0.444 1.00 0.00 C ATOM 536 C SER A 34 10.852 -13.352 1.054 1.00 0.00 C ATOM 537 O SER A 34 9.717 -13.776 1.144 1.00 0.00 O ATOM 538 CB SER A 34 12.238 -15.422 1.375 1.00 0.00 C ATOM 539 OG SER A 34 13.586 -15.766 1.110 1.00 0.00 O ATOM 0 H SER A 34 13.543 -13.364 -0.708 1.00 0.00 H new ATOM 0 HA SER A 34 11.621 -14.565 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.094 -15.155 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.566 -16.254 1.163 1.00 0.00 H new ATOM 0 HG SER A 34 13.845 -16.528 1.669 1.00 0.00 H new ATOM 545 N VAL A 35 11.209 -12.146 1.445 1.00 0.00 N ATOM 546 CA VAL A 35 10.212 -11.215 2.055 1.00 0.00 C ATOM 547 C VAL A 35 9.348 -11.902 3.115 1.00 0.00 C ATOM 548 O VAL A 35 8.236 -12.310 2.841 1.00 0.00 O ATOM 549 CB VAL A 35 9.305 -10.694 0.924 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.184 -9.779 1.516 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.169 -9.896 -0.065 1.00 0.00 C ATOM 0 H VAL A 35 12.154 -11.770 1.365 1.00 0.00 H new ATOM 0 HA VAL A 35 10.748 -10.406 2.551 1.00 0.00 H new ATOM 0 HB VAL A 35 8.831 -11.531 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.548 -9.415 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.583 -10.351 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.639 -8.932 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.543 -9.519 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.636 -9.058 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.943 -10.544 -0.477 1.00 0.00 H new ATOM 561 N ASN A 36 9.877 -12.002 4.315 1.00 0.00 N ATOM 562 CA ASN A 36 9.110 -12.656 5.418 1.00 0.00 C ATOM 563 C ASN A 36 8.186 -11.651 6.106 1.00 0.00 C ATOM 564 O ASN A 36 7.700 -11.898 7.192 1.00 0.00 O ATOM 565 CB ASN A 36 10.121 -13.182 6.451 1.00 0.00 C ATOM 566 CG ASN A 36 9.401 -14.091 7.450 1.00 0.00 C ATOM 567 OD1 ASN A 36 8.802 -15.084 7.083 1.00 0.00 O ATOM 568 ND2 ASN A 36 9.433 -13.788 8.719 1.00 0.00 N ATOM 0 H ASN A 36 10.802 -11.660 4.573 1.00 0.00 H new ATOM 0 HA ASN A 36 8.503 -13.463 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.917 -13.733 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.590 -12.349 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.957 -14.383 9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.934 -12.956 9.032 1.00 0.00 H new ATOM 575 N PHE A 37 7.962 -10.536 5.447 1.00 0.00 N ATOM 576 CA PHE A 37 7.076 -9.484 6.026 1.00 0.00 C ATOM 577 C PHE A 37 7.480 -9.168 7.469 1.00 0.00 C ATOM 578 O PHE A 37 6.657 -8.952 8.339 1.00 0.00 O ATOM 579 CB PHE A 37 5.610 -9.975 5.951 1.00 0.00 C ATOM 580 CG PHE A 37 5.126 -9.807 4.507 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.004 -8.539 3.958 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.845 -10.909 3.719 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.611 -8.379 2.647 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.452 -10.743 2.405 1.00 0.00 C ATOM 585 CZ PHE A 37 4.336 -9.478 1.871 1.00 0.00 C ATOM 0 H PHE A 37 8.357 -10.313 4.533 1.00 0.00 H new ATOM 0 HA PHE A 37 7.177 -8.562 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.542 -11.019 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.981 -9.402 6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.219 -7.670 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.933 -11.903 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.519 -7.387 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.235 -11.607 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.029 -9.351 0.843 1.00 0.00 H new ATOM 595 N SER A 38 8.763 -9.154 7.673 1.00 0.00 N ATOM 596 CA SER A 38 9.322 -8.861 9.014 1.00 0.00 C ATOM 597 C SER A 38 10.711 -8.295 8.826 1.00 0.00 C ATOM 598 O SER A 38 11.452 -8.099 9.770 1.00 0.00 O ATOM 599 CB SER A 38 9.410 -10.175 9.816 1.00 0.00 C ATOM 600 OG SER A 38 9.814 -9.764 11.116 1.00 0.00 O ATOM 0 H SER A 38 9.461 -9.337 6.952 1.00 0.00 H new ATOM 0 HA SER A 38 8.692 -8.151 9.549 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.450 -10.691 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.130 -10.864 9.374 1.00 0.00 H new ATOM 0 HG SER A 38 10.377 -8.965 11.046 1.00 0.00 H new ATOM 606 N GLU A 39 11.020 -8.031 7.575 1.00 0.00 N ATOM 607 CA GLU A 39 12.347 -7.471 7.218 1.00 0.00 C ATOM 608 C GLU A 39 12.250 -6.659 5.929 1.00 0.00 C ATOM 609 O GLU A 39 13.080 -5.809 5.664 1.00 0.00 O ATOM 610 CB GLU A 39 13.309 -8.655 6.976 1.00 0.00 C ATOM 611 CG GLU A 39 13.695 -9.290 8.317 1.00 0.00 C ATOM 612 CD GLU A 39 14.890 -10.221 8.112 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.668 -11.261 7.516 1.00 0.00 O ATOM 614 OE2 GLU A 39 15.957 -9.840 8.566 1.00 0.00 O ATOM 0 H GLU A 39 10.395 -8.185 6.784 1.00 0.00 H new ATOM 0 HA GLU A 39 12.701 -6.825 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.833 -9.397 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.202 -8.310 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.944 -8.514 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.851 -9.847 8.724 1.00 0.00 H new ATOM 621 N PHE A 40 11.223 -6.941 5.156 1.00 0.00 N ATOM 622 CA PHE A 40 11.015 -6.220 3.868 1.00 0.00 C ATOM 623 C PHE A 40 10.211 -4.942 4.068 1.00 0.00 C ATOM 624 O PHE A 40 10.622 -3.896 3.643 1.00 0.00 O ATOM 625 CB PHE A 40 10.250 -7.149 2.921 1.00 0.00 C ATOM 626 CG PHE A 40 9.979 -6.415 1.606 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.027 -5.891 0.860 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.685 -6.245 1.152 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.778 -5.211 -0.305 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.441 -5.565 -0.013 1.00 0.00 C ATOM 631 CZ PHE A 40 9.488 -5.045 -0.743 1.00 0.00 C ATOM 0 H PHE A 40 10.518 -7.647 5.370 1.00 0.00 H new ATOM 0 HA PHE A 40 11.986 -5.945 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.829 -8.054 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.311 -7.460 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.044 -6.020 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.860 -6.651 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.598 -4.806 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.426 -5.436 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.293 -4.507 -1.659 1.00 0.00 H new ATOM 641 N SER A 41 9.044 -5.063 4.646 1.00 0.00 N ATOM 642 CA SER A 41 8.210 -3.847 4.878 1.00 0.00 C ATOM 643 C SER A 41 9.038 -2.785 5.583 1.00 0.00 C ATOM 644 O SER A 41 8.694 -1.630 5.593 1.00 0.00 O ATOM 645 CB SER A 41 7.019 -4.228 5.778 1.00 0.00 C ATOM 646 OG SER A 41 6.194 -5.034 4.947 1.00 0.00 O ATOM 0 H SER A 41 8.636 -5.942 4.964 1.00 0.00 H new ATOM 0 HA SER A 41 7.856 -3.458 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.347 -4.774 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.487 -3.344 6.129 1.00 0.00 H new ATOM 0 HG SER A 41 5.405 -5.323 5.451 1.00 0.00 H new ATOM 652 N LYS A 42 10.116 -3.197 6.173 1.00 0.00 N ATOM 653 CA LYS A 42 10.955 -2.217 6.863 1.00 0.00 C ATOM 654 C LYS A 42 11.535 -1.261 5.833 1.00 0.00 C ATOM 655 O LYS A 42 11.678 -0.078 6.077 1.00 0.00 O ATOM 656 CB LYS A 42 12.101 -2.961 7.582 1.00 0.00 C ATOM 657 CG LYS A 42 11.537 -4.203 8.286 1.00 0.00 C ATOM 658 CD LYS A 42 10.360 -3.798 9.183 1.00 0.00 C ATOM 659 CE LYS A 42 10.050 -4.943 10.153 1.00 0.00 C ATOM 660 NZ LYS A 42 8.802 -4.658 10.918 1.00 0.00 N ATOM 0 H LYS A 42 10.443 -4.163 6.203 1.00 0.00 H new ATOM 0 HA LYS A 42 10.368 -1.659 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.867 -3.253 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.578 -2.303 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.209 -4.934 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.315 -4.679 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.604 -2.892 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.484 -3.573 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.939 -5.876 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.883 -5.078 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.607 -5.444 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.921 -3.779 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.006 -4.552 10.257 1.00 0.00 H new ATOM 674 N LYS A 43 11.850 -1.810 4.680 1.00 0.00 N ATOM 675 CA LYS A 43 12.419 -0.985 3.594 1.00 0.00 C ATOM 676 C LYS A 43 11.314 -0.204 2.874 1.00 0.00 C ATOM 677 O LYS A 43 11.445 0.986 2.660 1.00 0.00 O ATOM 678 CB LYS A 43 13.132 -1.933 2.571 1.00 0.00 C ATOM 679 CG LYS A 43 14.624 -2.058 2.917 1.00 0.00 C ATOM 680 CD LYS A 43 14.778 -2.845 4.221 1.00 0.00 C ATOM 681 CE LYS A 43 16.239 -2.789 4.670 1.00 0.00 C ATOM 682 NZ LYS A 43 16.622 -1.390 5.019 1.00 0.00 N ATOM 0 H LYS A 43 11.732 -2.798 4.456 1.00 0.00 H new ATOM 0 HA LYS A 43 13.128 -0.273 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.663 -2.917 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.017 -1.542 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.155 -2.562 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.069 -1.068 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.131 -2.426 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.469 -3.880 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.386 -3.439 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.885 -3.162 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.436 -1.404 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.878 -0.874 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.820 -0.916 5.481 1.00 0.00 H new ATOM 696 N CYS A 44 10.242 -0.880 2.508 1.00 0.00 N ATOM 697 CA CYS A 44 9.167 -0.164 1.816 1.00 0.00 C ATOM 698 C CYS A 44 8.638 0.950 2.690 1.00 0.00 C ATOM 699 O CYS A 44 8.275 2.005 2.212 1.00 0.00 O ATOM 700 CB CYS A 44 8.056 -1.156 1.510 1.00 0.00 C ATOM 701 SG CYS A 44 8.536 -2.709 0.738 1.00 0.00 S ATOM 0 H CYS A 44 10.086 -1.876 2.664 1.00 0.00 H new ATOM 0 HA CYS A 44 9.544 0.275 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.541 -1.386 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.332 -0.664 0.860 1.00 0.00 H new ATOM 0 HG CYS A 44 8.206 -3.699 1.513 1.00 0.00 H new ATOM 707 N SER A 45 8.607 0.693 3.961 1.00 0.00 N ATOM 708 CA SER A 45 8.108 1.727 4.899 1.00 0.00 C ATOM 709 C SER A 45 8.934 2.979 4.738 1.00 0.00 C ATOM 710 O SER A 45 8.413 4.054 4.567 1.00 0.00 O ATOM 711 CB SER A 45 8.274 1.210 6.339 1.00 0.00 C ATOM 712 OG SER A 45 8.070 2.360 7.146 1.00 0.00 O ATOM 0 H SER A 45 8.904 -0.183 4.390 1.00 0.00 H new ATOM 0 HA SER A 45 7.060 1.942 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.549 0.429 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.264 0.783 6.497 1.00 0.00 H new ATOM 0 HG SER A 45 8.158 2.116 8.091 1.00 0.00 H new ATOM 718 N GLU A 46 10.219 2.814 4.798 1.00 0.00 N ATOM 719 CA GLU A 46 11.098 3.981 4.647 1.00 0.00 C ATOM 720 C GLU A 46 10.943 4.563 3.253 1.00 0.00 C ATOM 721 O GLU A 46 11.280 5.706 3.012 1.00 0.00 O ATOM 722 CB GLU A 46 12.553 3.516 4.840 1.00 0.00 C ATOM 723 CG GLU A 46 13.451 4.734 5.037 1.00 0.00 C ATOM 724 CD GLU A 46 14.841 4.268 5.477 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.894 3.630 6.516 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.772 4.579 4.751 1.00 0.00 O ATOM 0 H GLU A 46 10.692 1.922 4.945 1.00 0.00 H new ATOM 0 HA GLU A 46 10.837 4.742 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.624 2.854 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.882 2.944 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.521 5.303 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.023 5.399 5.787 1.00 0.00 H new ATOM 733 N ARG A 47 10.413 3.743 2.360 1.00 0.00 N ATOM 734 CA ARG A 47 10.202 4.180 0.953 1.00 0.00 C ATOM 735 C ARG A 47 8.805 4.790 0.765 1.00 0.00 C ATOM 736 O ARG A 47 8.506 5.346 -0.278 1.00 0.00 O ATOM 737 CB ARG A 47 10.340 2.932 0.041 1.00 0.00 C ATOM 738 CG ARG A 47 10.795 3.366 -1.355 1.00 0.00 C ATOM 739 CD ARG A 47 11.072 2.126 -2.198 1.00 0.00 C ATOM 740 NE ARG A 47 11.715 2.552 -3.469 1.00 0.00 N ATOM 741 CZ ARG A 47 12.078 1.654 -4.340 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.865 0.393 -4.076 1.00 0.00 N ATOM 743 NH2 ARG A 47 12.649 2.045 -5.445 1.00 0.00 N ATOM 0 H ARG A 47 10.120 2.787 2.559 1.00 0.00 H new ATOM 0 HA ARG A 47 10.939 4.941 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.060 2.234 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.386 2.408 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.027 3.978 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.693 3.980 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.722 1.438 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.144 1.593 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 47 11.871 3.542 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.420 0.124 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.143 -0.323 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.804 3.039 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.941 1.357 -6.140 1.00 0.00 H new ATOM 757 N TRP A 48 7.979 4.643 1.787 1.00 0.00 N ATOM 758 CA TRP A 48 6.576 5.187 1.753 1.00 0.00 C ATOM 759 C TRP A 48 6.469 6.426 2.645 1.00 0.00 C ATOM 760 O TRP A 48 6.099 7.492 2.190 1.00 0.00 O ATOM 761 CB TRP A 48 5.680 4.053 2.286 1.00 0.00 C ATOM 762 CG TRP A 48 4.394 4.576 2.929 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.273 4.780 4.219 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.233 4.670 2.323 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.950 4.976 4.388 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.220 4.919 3.223 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.945 4.544 0.987 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.914 5.023 2.793 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.628 4.657 0.550 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.616 4.893 1.461 1.00 0.00 C ATOM 0 H TRP A 48 8.224 4.162 2.653 1.00 0.00 H new ATOM 0 HA TRP A 48 6.280 5.491 0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.425 3.380 1.467 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.237 3.468 3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.050 4.789 4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.527 5.151 5.300 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.737 4.358 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.125 5.207 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.397 4.560 -0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.407 4.975 1.125 1.00 0.00 H new ATOM 781 N LYS A 49 6.775 6.241 3.895 1.00 0.00 N ATOM 782 CA LYS A 49 6.713 7.388 4.871 1.00 0.00 C ATOM 783 C LYS A 49 7.452 8.604 4.313 1.00 0.00 C ATOM 784 O LYS A 49 7.292 9.714 4.782 1.00 0.00 O ATOM 785 CB LYS A 49 7.447 6.976 6.171 1.00 0.00 C ATOM 786 CG LYS A 49 6.691 5.845 6.889 1.00 0.00 C ATOM 787 CD LYS A 49 7.199 5.748 8.342 1.00 0.00 C ATOM 788 CE LYS A 49 6.378 4.709 9.114 1.00 0.00 C ATOM 789 NZ LYS A 49 7.119 4.265 10.332 1.00 0.00 N ATOM 0 H LYS A 49 7.067 5.349 4.295 1.00 0.00 H new ATOM 0 HA LYS A 49 5.666 7.631 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.460 6.650 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.536 7.838 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.619 6.041 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.848 4.899 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.253 5.470 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.122 6.720 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.416 5.135 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.169 3.852 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.552 3.561 10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.026 3.841 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.296 5.084 10.948 1.00 0.00 H new ATOM 803 N THR A 50 8.247 8.351 3.321 1.00 0.00 N ATOM 804 CA THR A 50 9.033 9.426 2.678 1.00 0.00 C ATOM 805 C THR A 50 8.210 10.287 1.737 1.00 0.00 C ATOM 806 O THR A 50 8.343 11.496 1.720 1.00 0.00 O ATOM 807 CB THR A 50 10.105 8.746 1.847 1.00 0.00 C ATOM 808 OG1 THR A 50 10.701 9.777 1.086 1.00 0.00 O ATOM 809 CG2 THR A 50 9.456 7.818 0.806 1.00 0.00 C ATOM 0 H THR A 50 8.387 7.423 2.921 1.00 0.00 H new ATOM 0 HA THR A 50 9.425 10.075 3.461 1.00 0.00 H new ATOM 0 HB THR A 50 10.787 8.192 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.410 9.401 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.234 7.335 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.863 7.059 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.811 8.402 0.149 1.00 0.00 H new ATOM 817 N MET A 51 7.396 9.652 0.957 1.00 0.00 N ATOM 818 CA MET A 51 6.555 10.408 0.001 1.00 0.00 C ATOM 819 C MET A 51 5.673 11.430 0.696 1.00 0.00 C ATOM 820 O MET A 51 5.679 11.536 1.909 1.00 0.00 O ATOM 821 CB MET A 51 5.654 9.412 -0.743 1.00 0.00 C ATOM 822 CG MET A 51 6.508 8.276 -1.323 1.00 0.00 C ATOM 823 SD MET A 51 5.761 7.247 -2.616 1.00 0.00 S ATOM 824 CE MET A 51 4.357 6.634 -1.648 1.00 0.00 C ATOM 0 H MET A 51 7.275 8.639 0.939 1.00 0.00 H new ATOM 0 HA MET A 51 7.216 10.944 -0.681 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.905 9.006 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.116 9.921 -1.543 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.421 8.713 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.803 7.623 -0.501 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.921 5.769 -2.147 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.699 6.345 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.606 7.419 -1.560 1.00 0.00 H new ATOM 834 N SER A 52 4.909 12.153 -0.114 1.00 0.00 N ATOM 835 CA SER A 52 3.980 13.208 0.425 1.00 0.00 C ATOM 836 C SER A 52 2.535 12.796 0.197 1.00 0.00 C ATOM 837 O SER A 52 2.272 11.869 -0.529 1.00 0.00 O ATOM 838 CB SER A 52 4.237 14.509 -0.348 1.00 0.00 C ATOM 839 OG SER A 52 5.510 14.938 0.109 1.00 0.00 O ATOM 0 H SER A 52 4.894 12.052 -1.129 1.00 0.00 H new ATOM 0 HA SER A 52 4.156 13.339 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.236 14.340 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.468 15.253 -0.142 1.00 0.00 H new ATOM 0 HG SER A 52 5.755 15.773 -0.342 1.00 0.00 H new ATOM 845 N ALA A 53 1.630 13.489 0.836 1.00 0.00 N ATOM 846 CA ALA A 53 0.191 13.156 0.672 1.00 0.00 C ATOM 847 C ALA A 53 -0.200 13.049 -0.795 1.00 0.00 C ATOM 848 O ALA A 53 -1.160 12.391 -1.133 1.00 0.00 O ATOM 849 CB ALA A 53 -0.635 14.268 1.310 1.00 0.00 C ATOM 0 H ALA A 53 1.828 14.269 1.463 1.00 0.00 H new ATOM 0 HA ALA A 53 0.006 12.193 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.696 14.042 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.388 14.343 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.413 15.215 0.818 1.00 0.00 H new ATOM 855 N LYS A 54 0.540 13.708 -1.645 1.00 0.00 N ATOM 856 CA LYS A 54 0.206 13.636 -3.085 1.00 0.00 C ATOM 857 C LYS A 54 0.214 12.190 -3.542 1.00 0.00 C ATOM 858 O LYS A 54 -0.803 11.644 -3.951 1.00 0.00 O ATOM 859 CB LYS A 54 1.276 14.402 -3.879 1.00 0.00 C ATOM 860 CG LYS A 54 1.285 15.865 -3.443 1.00 0.00 C ATOM 861 CD LYS A 54 2.507 16.553 -4.055 1.00 0.00 C ATOM 862 CE LYS A 54 2.406 18.057 -3.822 1.00 0.00 C ATOM 863 NZ LYS A 54 2.473 18.370 -2.366 1.00 0.00 N ATOM 0 H LYS A 54 1.348 14.283 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.781 14.069 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.256 13.956 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.071 14.331 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.370 16.361 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.317 15.935 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.421 16.164 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.561 16.341 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.215 18.566 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.471 18.432 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.590 19.395 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.594 18.061 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.281 17.873 -1.941 1.00 0.00 H new ATOM 877 N GLU A 55 1.360 11.581 -3.444 1.00 0.00 N ATOM 878 CA GLU A 55 1.463 10.176 -3.863 1.00 0.00 C ATOM 879 C GLU A 55 0.733 9.274 -2.875 1.00 0.00 C ATOM 880 O GLU A 55 0.048 8.348 -3.268 1.00 0.00 O ATOM 881 CB GLU A 55 2.951 9.798 -3.904 1.00 0.00 C ATOM 882 CG GLU A 55 3.746 10.957 -4.525 1.00 0.00 C ATOM 883 CD GLU A 55 5.180 10.498 -4.803 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.363 9.902 -5.851 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.009 10.770 -3.951 1.00 0.00 O ATOM 0 H GLU A 55 2.221 12.000 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 55 1.008 10.048 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.314 9.589 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.092 8.889 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.271 11.284 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.751 11.813 -3.850 1.00 0.00 H new ATOM 892 N LYS A 56 0.870 9.573 -1.604 1.00 0.00 N ATOM 893 CA LYS A 56 0.190 8.737 -0.597 1.00 0.00 C ATOM 894 C LYS A 56 -1.311 8.983 -0.671 1.00 0.00 C ATOM 895 O LYS A 56 -2.084 8.358 0.026 1.00 0.00 O ATOM 896 CB LYS A 56 0.720 9.125 0.810 1.00 0.00 C ATOM 897 CG LYS A 56 1.942 8.267 1.150 1.00 0.00 C ATOM 898 CD LYS A 56 2.505 8.700 2.520 1.00 0.00 C ATOM 899 CE LYS A 56 3.135 10.101 2.415 1.00 0.00 C ATOM 900 NZ LYS A 56 2.117 11.153 2.689 1.00 0.00 N ATOM 0 H LYS A 56 1.418 10.351 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 56 0.388 7.682 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.987 10.182 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.060 8.978 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.665 7.213 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.705 8.378 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.708 8.706 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.252 7.982 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.958 10.190 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.555 10.244 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.595 12.056 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.496 11.260 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.548 10.879 3.515 1.00 0.00 H new ATOM 914 N GLY A 57 -1.682 9.905 -1.525 1.00 0.00 N ATOM 915 CA GLY A 57 -3.123 10.233 -1.687 1.00 0.00 C ATOM 916 C GLY A 57 -3.758 9.226 -2.633 1.00 0.00 C ATOM 917 O GLY A 57 -4.861 8.764 -2.416 1.00 0.00 O ATOM 0 H GLY A 57 -1.046 10.442 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.625 10.209 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.237 11.243 -2.081 1.00 0.00 H new ATOM 921 N LYS A 58 -3.041 8.916 -3.673 1.00 0.00 N ATOM 922 CA LYS A 58 -3.561 7.945 -4.658 1.00 0.00 C ATOM 923 C LYS A 58 -3.524 6.527 -4.048 1.00 0.00 C ATOM 924 O LYS A 58 -4.284 5.654 -4.436 1.00 0.00 O ATOM 925 CB LYS A 58 -2.659 8.087 -5.951 1.00 0.00 C ATOM 926 CG LYS A 58 -2.256 6.721 -6.568 1.00 0.00 C ATOM 927 CD LYS A 58 -1.017 6.151 -5.829 1.00 0.00 C ATOM 928 CE LYS A 58 0.267 6.688 -6.486 1.00 0.00 C ATOM 929 NZ LYS A 58 0.491 6.029 -7.802 1.00 0.00 N ATOM 0 H LYS A 58 -2.117 9.296 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.600 8.133 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.196 8.672 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.757 8.644 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.088 6.020 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.034 6.843 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.046 6.435 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.028 5.062 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.190 7.767 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.120 6.508 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.493 6.114 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.235 5.023 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.098 6.489 -8.525 1.00 0.00 H new ATOM 943 N PHE A 59 -2.687 6.361 -3.055 1.00 0.00 N ATOM 944 CA PHE A 59 -2.571 5.027 -2.391 1.00 0.00 C ATOM 945 C PHE A 59 -3.625 4.946 -1.324 1.00 0.00 C ATOM 946 O PHE A 59 -4.074 3.880 -0.950 1.00 0.00 O ATOM 947 CB PHE A 59 -1.179 4.907 -1.710 1.00 0.00 C ATOM 948 CG PHE A 59 -0.118 4.497 -2.744 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.230 3.306 -3.435 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.969 5.316 -2.996 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.722 2.949 -4.363 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.918 4.955 -3.918 1.00 0.00 C ATOM 953 CZ PHE A 59 1.797 3.772 -4.604 1.00 0.00 C ATOM 0 H PHE A 59 -2.081 7.089 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.692 4.232 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.905 5.859 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.220 4.170 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.068 2.652 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.071 6.249 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.624 2.019 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.762 5.603 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.544 3.489 -5.331 1.00 0.00 H new ATOM 963 N GLU A 60 -4.005 6.097 -0.855 1.00 0.00 N ATOM 964 CA GLU A 60 -5.026 6.159 0.186 1.00 0.00 C ATOM 965 C GLU A 60 -6.367 5.872 -0.439 1.00 0.00 C ATOM 966 O GLU A 60 -7.293 5.450 0.221 1.00 0.00 O ATOM 967 CB GLU A 60 -5.008 7.597 0.769 1.00 0.00 C ATOM 968 CG GLU A 60 -4.129 7.644 2.045 1.00 0.00 C ATOM 969 CD GLU A 60 -4.968 7.262 3.275 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.941 7.962 3.507 1.00 0.00 O ATOM 971 OE2 GLU A 60 -4.581 6.299 3.916 1.00 0.00 O ATOM 0 H GLU A 60 -3.640 6.999 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.839 5.431 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.621 8.294 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.024 7.914 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.287 6.960 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.714 8.643 2.174 1.00 0.00 H new ATOM 978 N ASP A 61 -6.439 6.104 -1.715 1.00 0.00 N ATOM 979 CA ASP A 61 -7.707 5.855 -2.426 1.00 0.00 C ATOM 980 C ASP A 61 -7.886 4.370 -2.669 1.00 0.00 C ATOM 981 O ASP A 61 -8.954 3.829 -2.468 1.00 0.00 O ATOM 982 CB ASP A 61 -7.641 6.576 -3.773 1.00 0.00 C ATOM 983 CG ASP A 61 -9.003 6.491 -4.467 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.806 7.369 -4.194 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.166 5.553 -5.230 1.00 0.00 O ATOM 0 H ASP A 61 -5.674 6.455 -2.292 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.544 6.217 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.361 7.619 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.873 6.125 -4.401 1.00 0.00 H new ATOM 990 N MET A 62 -6.835 3.731 -3.096 1.00 0.00 N ATOM 991 CA MET A 62 -6.931 2.287 -3.353 1.00 0.00 C ATOM 992 C MET A 62 -7.341 1.557 -2.095 1.00 0.00 C ATOM 993 O MET A 62 -8.301 0.816 -2.098 1.00 0.00 O ATOM 994 CB MET A 62 -5.556 1.769 -3.815 1.00 0.00 C ATOM 995 CG MET A 62 -5.257 2.264 -5.248 1.00 0.00 C ATOM 996 SD MET A 62 -4.031 1.338 -6.200 1.00 0.00 S ATOM 997 CE MET A 62 -2.622 1.667 -5.120 1.00 0.00 C ATOM 0 H MET A 62 -5.923 4.151 -3.275 1.00 0.00 H new ATOM 0 HA MET A 62 -7.680 2.109 -4.125 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.780 2.116 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.541 0.679 -3.788 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.192 2.262 -5.808 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.925 3.300 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.723 1.225 -5.550 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.485 2.744 -5.019 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.807 1.231 -4.138 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.606 1.765 -1.041 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.958 1.079 0.223 1.00 0.00 C ATOM 1009 C ALA A 63 -8.394 1.410 0.605 1.00 0.00 C ATOM 1010 O ALA A 63 -9.088 0.595 1.175 1.00 0.00 O ATOM 1011 CB ALA A 63 -5.999 1.560 1.338 1.00 0.00 C ATOM 0 H ALA A 63 -5.788 2.373 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.865 0.001 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.250 1.061 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.972 1.321 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.099 2.638 1.464 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.816 2.607 0.272 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.203 3.006 0.606 1.00 0.00 C ATOM 1019 C LYS A 64 -11.177 2.348 -0.363 1.00 0.00 C ATOM 1020 O LYS A 64 -12.335 2.148 -0.050 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.317 4.545 0.492 1.00 0.00 C ATOM 1022 CG LYS A 64 -9.870 5.188 1.813 1.00 0.00 C ATOM 1023 CD LYS A 64 -9.850 6.709 1.653 1.00 0.00 C ATOM 1024 CE LYS A 64 -9.283 7.341 2.926 1.00 0.00 C ATOM 1025 NZ LYS A 64 -9.152 8.816 2.762 1.00 0.00 N ATOM 0 H LYS A 64 -8.260 3.312 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.445 2.688 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.698 4.907 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.345 4.829 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.549 4.904 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.880 4.827 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.242 6.988 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.858 7.080 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.935 7.120 3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.309 6.906 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.766 9.229 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.512 9.022 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.087 9.228 2.568 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.684 2.012 -1.528 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.556 1.372 -2.519 1.00 0.00 C ATOM 1041 C ALA A 65 -11.810 -0.051 -2.115 1.00 0.00 C ATOM 1042 O ALA A 65 -12.929 -0.524 -2.146 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.852 1.395 -3.888 1.00 0.00 C ATOM 0 H ALA A 65 -9.718 2.158 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.504 1.906 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.491 0.922 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.657 2.427 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.909 0.853 -3.821 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.766 -0.708 -1.740 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.911 -2.105 -1.322 1.00 0.00 C ATOM 1051 C ASP A 66 -11.747 -2.156 -0.059 1.00 0.00 C ATOM 1052 O ASP A 66 -12.450 -3.112 0.193 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.510 -2.676 -1.030 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.589 -4.202 -0.955 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.236 -4.664 -0.030 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.999 -4.819 -1.824 1.00 0.00 O ATOM 0 H ASP A 66 -9.817 -0.335 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.396 -2.688 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.812 -2.375 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.130 -2.274 -0.091 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.645 -1.115 0.721 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.423 -1.072 1.968 1.00 0.00 C ATOM 1063 C LYS A 67 -13.901 -1.233 1.661 1.00 0.00 C ATOM 1064 O LYS A 67 -14.611 -1.920 2.367 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.196 0.294 2.649 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.610 0.199 4.118 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.235 1.500 4.830 1.00 0.00 C ATOM 1068 CE LYS A 67 -12.561 1.371 6.318 1.00 0.00 C ATOM 1069 NZ LYS A 67 -11.864 0.194 6.906 1.00 0.00 N ATOM 0 H LYS A 67 -11.057 -0.301 0.541 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.102 -1.881 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.148 0.582 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.777 1.066 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.683 0.024 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.114 -0.647 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.174 1.710 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.783 2.337 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.260 2.278 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.638 1.268 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.568 0.416 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.509 -0.621 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.027 -0.035 6.333 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.344 -0.595 0.608 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.771 -0.706 0.248 1.00 0.00 C ATOM 1085 C ALA A 68 -16.087 -2.080 -0.323 1.00 0.00 C ATOM 1086 O ALA A 68 -17.208 -2.543 -0.246 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.095 0.361 -0.809 1.00 0.00 C ATOM 0 H ALA A 68 -13.778 -0.010 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.372 -0.560 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.147 0.292 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.892 1.351 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.476 0.198 -1.692 1.00 0.00 H new ATOM 1093 N ARG A 69 -15.096 -2.708 -0.885 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.321 -4.058 -1.469 1.00 0.00 C ATOM 1095 C ARG A 69 -15.385 -5.111 -0.372 1.00 0.00 C ATOM 1096 O ARG A 69 -16.055 -6.113 -0.510 1.00 0.00 O ATOM 1097 CB ARG A 69 -14.146 -4.401 -2.403 1.00 0.00 C ATOM 1098 CG ARG A 69 -14.152 -3.448 -3.609 1.00 0.00 C ATOM 1099 CD ARG A 69 -15.419 -3.683 -4.468 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.465 -2.712 -4.054 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.693 -2.880 -4.469 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.967 -3.901 -5.237 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.607 -2.019 -4.108 1.00 0.00 N ATOM 0 H ARG A 69 -14.145 -2.349 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.264 -4.050 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.203 -4.316 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.227 -5.434 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.123 -2.414 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.259 -3.608 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.186 -3.559 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.779 -4.704 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.227 -1.923 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.228 -4.552 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.920 -4.047 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.357 -1.230 -3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.570 -2.135 -4.423 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.684 -4.856 0.704 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.676 -5.826 1.834 1.00 0.00 C ATOM 1119 C TYR A 70 -15.883 -5.638 2.753 1.00 0.00 C ATOM 1120 O TYR A 70 -16.385 -6.589 3.320 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.406 -5.581 2.659 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.348 -6.593 3.802 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.059 -6.380 4.965 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.584 -7.735 3.687 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.008 -7.294 5.996 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.533 -8.650 4.718 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.243 -8.437 5.879 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.189 -9.352 6.912 1.00 0.00 O ATOM 0 H TYR A 70 -14.119 -4.019 0.846 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.712 -6.835 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.523 -5.677 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.405 -4.566 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.661 -5.489 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.021 -7.914 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.570 -7.115 6.901 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.931 -9.541 4.614 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.604 -10.097 6.659 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.329 -4.414 2.877 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.498 -4.136 3.754 1.00 0.00 C ATOM 1140 C GLU A 71 -18.834 -4.453 3.082 1.00 0.00 C ATOM 1141 O GLU A 71 -19.610 -5.228 3.585 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.478 -2.644 4.105 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.275 -2.361 5.001 1.00 0.00 C ATOM 1144 CD GLU A 71 -16.537 -2.937 6.394 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -17.510 -2.500 6.987 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -15.748 -3.780 6.788 1.00 0.00 O ATOM 0 H GLU A 71 -15.933 -3.599 2.409 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.415 -4.773 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.420 -2.044 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.401 -2.364 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.376 -2.806 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.100 -1.287 5.066 1.00 0.00 H new ATOM 1153 N ARG A 72 -19.083 -3.843 1.965 1.00 0.00 N ATOM 1154 CA ARG A 72 -20.371 -4.110 1.266 1.00 0.00 C ATOM 1155 C ARG A 72 -20.598 -5.601 1.008 1.00 0.00 C ATOM 1156 O ARG A 72 -21.725 -6.045 0.887 1.00 0.00 O ATOM 1157 CB ARG A 72 -20.357 -3.367 -0.084 1.00 0.00 C ATOM 1158 CG ARG A 72 -21.802 -3.182 -0.566 1.00 0.00 C ATOM 1159 CD ARG A 72 -21.793 -2.544 -1.948 1.00 0.00 C ATOM 1160 NE ARG A 72 -23.197 -2.455 -2.445 1.00 0.00 N ATOM 1161 CZ ARG A 72 -23.808 -3.541 -2.842 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -23.169 -4.678 -2.796 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -25.038 -3.453 -3.269 1.00 0.00 N ATOM 0 H ARG A 72 -18.461 -3.177 1.506 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.180 -3.761 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.869 -2.398 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.784 -3.932 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -22.312 -4.145 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -22.353 -2.554 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -21.345 -1.551 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.187 -3.136 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.676 -1.555 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.208 -4.710 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.630 -5.535 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -25.507 -2.548 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.530 -4.290 -3.583 1.00 0.00 H new ATOM 1177 N GLU A 73 -19.538 -6.349 0.949 1.00 0.00 N ATOM 1178 CA GLU A 73 -19.687 -7.813 0.697 1.00 0.00 C ATOM 1179 C GLU A 73 -20.146 -8.566 1.950 1.00 0.00 C ATOM 1180 O GLU A 73 -20.707 -9.639 1.849 1.00 0.00 O ATOM 1181 CB GLU A 73 -18.318 -8.367 0.235 1.00 0.00 C ATOM 1182 CG GLU A 73 -18.132 -8.058 -1.260 1.00 0.00 C ATOM 1183 CD GLU A 73 -16.746 -8.523 -1.713 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -16.277 -9.485 -1.127 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -16.235 -7.889 -2.621 1.00 0.00 O ATOM 0 H GLU A 73 -18.580 -6.019 1.063 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.449 -7.959 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.514 -7.915 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.270 -9.442 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.904 -8.560 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.243 -6.988 -1.437 1.00 0.00 H new ATOM 1192 N MET A 74 -19.906 -8.006 3.105 1.00 0.00 N ATOM 1193 CA MET A 74 -20.338 -8.710 4.335 1.00 0.00 C ATOM 1194 C MET A 74 -21.860 -8.794 4.409 1.00 0.00 C ATOM 1195 O MET A 74 -22.408 -9.731 4.956 1.00 0.00 O ATOM 1196 CB MET A 74 -19.818 -7.939 5.576 1.00 0.00 C ATOM 1197 CG MET A 74 -18.364 -8.321 5.835 1.00 0.00 C ATOM 1198 SD MET A 74 -18.016 -10.077 6.157 1.00 0.00 S ATOM 1199 CE MET A 74 -17.130 -10.449 4.623 1.00 0.00 C ATOM 0 H MET A 74 -19.439 -7.110 3.245 1.00 0.00 H new ATOM 0 HA MET A 74 -19.930 -9.721 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 74 -19.900 -6.865 5.411 1.00 0.00 H new ATOM 0 HB3 MET A 74 -20.429 -8.175 6.447 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.774 -8.011 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.009 -7.743 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.167 -11.522 4.432 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.598 -9.917 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.091 -10.133 4.717 1.00 0.00 H new ATOM 1209 N LYS A 75 -22.512 -7.815 3.859 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.993 -7.815 3.882 1.00 0.00 C ATOM 1211 C LYS A 75 -24.550 -9.071 3.223 1.00 0.00 C ATOM 1212 O LYS A 75 -25.750 -9.270 3.196 1.00 0.00 O ATOM 1213 CB LYS A 75 -24.493 -6.578 3.101 1.00 0.00 C ATOM 1214 CG LYS A 75 -24.436 -5.343 4.005 1.00 0.00 C ATOM 1215 CD LYS A 75 -22.973 -5.034 4.361 1.00 0.00 C ATOM 1216 CE LYS A 75 -22.873 -3.591 4.859 1.00 0.00 C ATOM 1217 NZ LYS A 75 -21.493 -3.292 5.329 1.00 0.00 N ATOM 0 H LYS A 75 -22.083 -7.015 3.395 1.00 0.00 H new ATOM 0 HA LYS A 75 -24.331 -7.789 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -23.878 -6.421 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -25.514 -6.742 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -24.887 -4.489 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -25.013 -5.517 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.619 -5.722 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.336 -5.176 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.146 -2.905 4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.582 -3.431 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.275 -2.291 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.424 -3.485 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.814 -3.891 4.817 1.00 0.00 H new ATOM 1231 N THR A 76 -23.660 -9.889 2.695 1.00 0.00 N ATOM 1232 CA THR A 76 -24.102 -11.155 2.021 1.00 0.00 C ATOM 1233 C THR A 76 -23.083 -12.269 2.221 1.00 0.00 C ATOM 1234 O THR A 76 -23.370 -13.408 1.935 1.00 0.00 O ATOM 1235 CB THR A 76 -24.233 -10.877 0.519 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.941 -10.494 0.095 1.00 0.00 O ATOM 1237 CG2 THR A 76 -25.106 -9.638 0.259 1.00 0.00 C ATOM 0 H THR A 76 -22.652 -9.733 2.703 1.00 0.00 H new ATOM 0 HA THR A 76 -25.051 -11.472 2.453 1.00 0.00 H new ATOM 0 HB THR A 76 -24.655 -11.750 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.999 -9.662 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 76 -25.181 -9.465 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 76 -26.102 -9.802 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 76 -24.654 -8.768 0.736 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.908 -11.910 2.705 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.835 -12.931 2.937 1.00 0.00 C ATOM 1247 C TYR A 77 -20.611 -13.791 1.700 1.00 0.00 C ATOM 1248 O TYR A 77 -21.203 -14.846 1.556 1.00 0.00 O ATOM 1249 CB TYR A 77 -21.236 -13.837 4.116 1.00 0.00 C ATOM 1250 CG TYR A 77 -20.187 -14.936 4.261 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -18.905 -14.625 4.646 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -20.501 -16.249 3.980 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -17.951 -15.604 4.746 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -19.547 -17.232 4.079 1.00 0.00 C ATOM 1255 CZ TYR A 77 -18.259 -16.918 4.467 1.00 0.00 C ATOM 1256 OH TYR A 77 -17.299 -17.906 4.592 1.00 0.00 O ATOM 0 H TYR A 77 -21.651 -10.953 2.948 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.908 -12.403 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -21.304 -13.255 5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -22.220 -14.273 3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -18.647 -13.601 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -21.506 -16.507 3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.947 -15.343 5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -19.805 -18.256 3.852 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.690 -18.773 4.356 1.00 0.00 H new ATOM 1266 N ILE A 78 -19.718 -13.323 0.856 1.00 0.00 N ATOM 1267 CA ILE A 78 -19.384 -14.052 -0.417 1.00 0.00 C ATOM 1268 C ILE A 78 -17.898 -14.503 -0.445 1.00 0.00 C ATOM 1269 O ILE A 78 -17.037 -13.750 -0.852 1.00 0.00 O ATOM 1270 CB ILE A 78 -19.597 -13.044 -1.558 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -21.059 -12.503 -1.535 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -19.349 -13.760 -2.900 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -21.081 -11.071 -2.076 1.00 0.00 C ATOM 0 H ILE A 78 -19.199 -12.456 0.996 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.008 -14.941 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.908 -12.209 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -21.704 -13.141 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.451 -12.525 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -19.496 -13.057 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -18.328 -14.140 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -20.047 -14.590 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.103 -10.692 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -20.449 -10.437 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -20.707 -11.063 -3.100 1.00 0.00 H new ATOM 1285 N PRO A 79 -17.609 -15.732 0.006 1.00 0.00 N ATOM 1286 CA PRO A 79 -16.225 -16.214 0.004 1.00 0.00 C ATOM 1287 C PRO A 79 -15.571 -16.265 -1.423 1.00 0.00 C ATOM 1288 O PRO A 79 -14.436 -15.866 -1.582 1.00 0.00 O ATOM 1289 CB PRO A 79 -16.283 -17.637 0.654 1.00 0.00 C ATOM 1290 CG PRO A 79 -17.773 -17.893 1.083 1.00 0.00 C ATOM 1291 CD PRO A 79 -18.603 -16.668 0.607 1.00 0.00 C ATOM 0 HA PRO A 79 -15.589 -15.524 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.951 -18.397 -0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.619 -17.693 1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.151 -18.812 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.848 -18.012 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.357 -16.963 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.130 -16.202 1.440 1.00 0.00 H new ATOM 1299 N PRO A 80 -16.300 -16.756 -2.434 1.00 0.00 N ATOM 1300 CA PRO A 80 -15.757 -16.838 -3.793 1.00 0.00 C ATOM 1301 C PRO A 80 -15.823 -15.482 -4.510 1.00 0.00 C ATOM 1302 O PRO A 80 -16.000 -14.452 -3.891 1.00 0.00 O ATOM 1303 CB PRO A 80 -16.686 -17.864 -4.513 1.00 0.00 C ATOM 1304 CG PRO A 80 -17.967 -17.998 -3.631 1.00 0.00 C ATOM 1305 CD PRO A 80 -17.667 -17.270 -2.292 1.00 0.00 C ATOM 0 HA PRO A 80 -14.707 -17.131 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.940 -17.520 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.188 -18.827 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -18.828 -17.552 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.208 -19.046 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.376 -16.461 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -17.746 -17.953 -1.446 1.00 0.00 H new ATOM 1313 N LYS A 81 -15.675 -15.536 -5.820 1.00 0.00 N ATOM 1314 CA LYS A 81 -15.720 -14.299 -6.650 1.00 0.00 C ATOM 1315 C LYS A 81 -17.145 -14.038 -7.148 1.00 0.00 C ATOM 1316 O LYS A 81 -17.381 -13.905 -8.333 1.00 0.00 O ATOM 1317 CB LYS A 81 -14.806 -14.506 -7.880 1.00 0.00 C ATOM 1318 CG LYS A 81 -13.342 -14.590 -7.429 1.00 0.00 C ATOM 1319 CD LYS A 81 -12.426 -14.371 -8.642 1.00 0.00 C ATOM 1320 CE LYS A 81 -10.969 -14.335 -8.182 1.00 0.00 C ATOM 1321 NZ LYS A 81 -10.559 -15.660 -7.641 1.00 0.00 N ATOM 0 H LYS A 81 -15.524 -16.397 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.390 -13.452 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.088 -15.419 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.933 -13.682 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.141 -13.838 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.143 -15.563 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.569 -15.171 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.684 -13.437 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.325 -14.062 -9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.842 -13.569 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.526 -15.682 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.016 -15.815 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.848 -16.409 -8.302 1.00 0.00 H new ATOM 1335 N GLY A 82 -18.073 -13.977 -6.237 1.00 0.00 N ATOM 1336 CA GLY A 82 -19.481 -13.726 -6.659 1.00 0.00 C ATOM 1337 C GLY A 82 -19.664 -12.262 -7.066 1.00 0.00 C ATOM 1338 O GLY A 82 -19.804 -11.959 -8.234 1.00 0.00 O ATOM 0 H GLY A 82 -17.924 -14.088 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.738 -14.377 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.161 -13.971 -5.843 1.00 0.00 H new ATOM 1342 N GLU A 83 -19.654 -11.389 -6.085 1.00 0.00 N ATOM 1343 CA GLU A 83 -19.825 -9.935 -6.371 1.00 0.00 C ATOM 1344 C GLU A 83 -21.029 -9.684 -7.275 1.00 0.00 C ATOM 1345 O GLU A 83 -20.938 -8.748 -8.053 1.00 0.00 O ATOM 1346 CB GLU A 83 -18.556 -9.416 -7.075 1.00 0.00 C ATOM 1347 CG GLU A 83 -17.328 -9.807 -6.250 1.00 0.00 C ATOM 1348 CD GLU A 83 -16.115 -9.016 -6.745 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -15.987 -7.888 -6.299 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -15.386 -9.585 -7.540 1.00 0.00 O ATOM 1351 OXT GLU A 83 -21.975 -10.442 -7.138 1.00 0.00 O ATOM 0 H GLU A 83 -19.535 -11.625 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 83 -19.989 -9.414 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.484 -9.837 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.604 -8.333 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.504 -9.602 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.141 -10.877 -6.340 1.00 0.00 H new TER 1358 GLU A 83