USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl 176:sc= -1.18 (180deg=-0.149) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.972 USER MOD Set 2.1: A 81 GLN : amide:sc= -0.733 K(o=-0.49,f=-2.7!) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.245 K(o=-0.49,f=-2.3!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 54 SER OG : rot 93:sc= 0.196! USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -3.96! C(o=-4!,f=-5.7!) USER MOD Single : A 28 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0154 (180deg=-0.285) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 38 MET CE :methyl 154:sc= -0.126 (180deg=-0.996) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -130:sc= 1.17 USER MOD Single : A 44 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.26) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.964 K(o=-0.96,f=-4.5!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 53 MET CE :methyl -128:sc= -1.76 (180deg=-5.11!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 61 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 63 HIS : no HE2:sc= 0.114 K(o=0.11,f=-4.9!) USER MOD Single : A 65 THR OG1 : rot -32:sc= 0.0571 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= -2.68 (180deg=-3.52!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -95:sc= -3.02! USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= -0.873 (180deg=-2.75!) USER MOD Single : A 111 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0857) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -70:sc= 0.435 USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.033 (180deg=-0.36) USER MOD Single : A 120 THR OG1 : rot -29:sc= 1.13 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 170:sc= -2.21 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.176) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.858 -4.743 8.571 1.00 0.00 N ATOM 107 CA PRO A 9 3.631 -4.734 7.705 1.00 0.00 C ATOM 108 C PRO A 9 2.722 -5.915 8.016 1.00 0.00 C ATOM 109 O PRO A 9 3.179 -6.947 8.521 1.00 0.00 O ATOM 110 CB PRO A 9 4.187 -4.834 6.282 1.00 0.00 C ATOM 111 CG PRO A 9 5.502 -5.520 6.433 1.00 0.00 C ATOM 112 CD PRO A 9 6.075 -5.053 7.765 1.00 0.00 C ATOM 0 HA PRO A 9 3.019 -3.845 7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.517 -5.401 5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.305 -3.848 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.380 -6.603 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.171 -5.265 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.683 -5.826 8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.712 -4.177 7.644 1.00 0.00 H new ATOM 120 N THR A 10 1.428 -5.748 7.730 1.00 0.00 N ATOM 121 CA THR A 10 0.437 -6.791 7.997 1.00 0.00 C ATOM 122 C THR A 10 -0.096 -7.361 6.679 1.00 0.00 C ATOM 123 O THR A 10 -0.514 -6.611 5.793 1.00 0.00 O ATOM 124 CB THR A 10 -0.715 -6.199 8.841 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.186 -5.690 10.060 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.763 -7.279 9.161 1.00 0.00 C ATOM 0 H THR A 10 1.043 -4.900 7.314 1.00 0.00 H new ATOM 0 HA THR A 10 0.904 -7.603 8.555 1.00 0.00 H new ATOM 0 HB THR A 10 -1.193 -5.401 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.912 -5.312 10.599 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.565 -6.842 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.174 -7.674 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.293 -8.087 9.723 1.00 0.00 H new ATOM 134 N THR A 11 -0.076 -8.699 6.564 1.00 0.00 N ATOM 135 CA THR A 11 -0.557 -9.376 5.357 1.00 0.00 C ATOM 136 C THR A 11 -1.790 -10.232 5.679 1.00 0.00 C ATOM 137 O THR A 11 -1.749 -11.089 6.566 1.00 0.00 O ATOM 138 CB THR A 11 0.569 -10.250 4.757 1.00 0.00 C ATOM 139 OG1 THR A 11 1.695 -9.430 4.475 1.00 0.00 O ATOM 140 CG2 THR A 11 0.096 -10.907 3.449 1.00 0.00 C ATOM 0 H THR A 11 0.267 -9.327 7.291 1.00 0.00 H new ATOM 0 HA THR A 11 -0.845 -8.624 4.622 1.00 0.00 H new ATOM 0 HB THR A 11 0.833 -11.027 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.413 -9.979 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.899 -11.519 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.772 -11.535 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.175 -10.133 2.730 1.00 0.00 H new ATOM 148 N VAL A 12 -2.883 -9.985 4.943 1.00 0.00 N ATOM 149 CA VAL A 12 -4.138 -10.724 5.140 1.00 0.00 C ATOM 150 C VAL A 12 -4.687 -11.241 3.795 1.00 0.00 C ATOM 151 O VAL A 12 -4.735 -10.505 2.815 1.00 0.00 O ATOM 152 CB VAL A 12 -5.182 -9.828 5.864 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.508 -10.592 6.064 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.632 -9.419 7.240 1.00 0.00 C ATOM 0 H VAL A 12 -2.923 -9.280 4.207 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.936 -11.590 5.770 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.368 -8.946 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.226 -9.948 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.908 -10.886 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.328 -11.482 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.361 -8.790 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.442 -10.312 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.703 -8.864 7.110 1.00 0.00 H new ATOM 164 N ALA A 13 -5.090 -12.515 3.774 1.00 0.00 N ATOM 165 CA ALA A 13 -5.637 -13.138 2.559 1.00 0.00 C ATOM 166 C ALA A 13 -7.164 -13.237 2.633 1.00 0.00 C ATOM 167 O ALA A 13 -7.729 -13.366 3.724 1.00 0.00 O ATOM 168 CB ALA A 13 -5.037 -14.530 2.369 1.00 0.00 C ATOM 0 H ALA A 13 -5.049 -13.136 4.582 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.373 -12.511 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.448 -14.983 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.954 -14.450 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.280 -15.152 3.231 1.00 0.00 H new ATOM 174 N PHE A 14 -7.829 -13.188 1.460 1.00 0.00 N ATOM 175 CA PHE A 14 -9.294 -13.284 1.401 1.00 0.00 C ATOM 176 C PHE A 14 -9.744 -14.082 0.169 1.00 0.00 C ATOM 177 O PHE A 14 -8.974 -14.256 -0.782 1.00 0.00 O ATOM 178 CB PHE A 14 -9.940 -11.872 1.419 1.00 0.00 C ATOM 179 CG PHE A 14 -9.613 -11.099 0.147 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.512 -11.110 -0.928 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.421 -10.374 0.050 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.219 -10.396 -2.096 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.128 -9.660 -1.120 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.027 -9.671 -2.191 1.00 0.00 C ATOM 0 H PHE A 14 -7.376 -13.084 0.552 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.634 -13.821 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.021 -11.965 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.583 -11.317 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.432 -11.670 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.726 -10.364 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.913 -10.405 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.207 -9.101 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.801 -9.120 -3.092 1.00 0.00 H new ATOM 194 N ASP A 15 -10.986 -14.587 0.213 1.00 0.00 N ATOM 195 CA ASP A 15 -11.527 -15.393 -0.881 1.00 0.00 C ATOM 196 C ASP A 15 -12.503 -14.594 -1.737 1.00 0.00 C ATOM 197 O ASP A 15 -13.488 -14.049 -1.229 1.00 0.00 O ATOM 198 CB ASP A 15 -12.232 -16.634 -0.322 1.00 0.00 C ATOM 199 CG ASP A 15 -11.268 -17.434 0.549 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.232 -17.185 1.743 1.00 0.00 O ATOM 201 OD2 ASP A 15 -10.579 -18.285 0.008 1.00 0.00 O ATOM 0 H ASP A 15 -11.629 -14.450 0.993 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.691 -15.697 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.102 -16.336 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.596 -17.255 -1.140 1.00 0.00 H new ATOM 206 N VAL A 16 -12.258 -14.596 -3.053 1.00 0.00 N ATOM 207 CA VAL A 16 -13.146 -13.944 -4.008 1.00 0.00 C ATOM 208 C VAL A 16 -14.109 -14.993 -4.551 1.00 0.00 C ATOM 209 O VAL A 16 -13.699 -15.905 -5.271 1.00 0.00 O ATOM 210 CB VAL A 16 -12.317 -13.308 -5.160 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.240 -12.642 -6.195 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.374 -12.243 -4.583 1.00 0.00 C ATOM 0 H VAL A 16 -11.447 -15.046 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.707 -13.145 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.746 -14.098 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.638 -12.204 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.912 -13.389 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.825 -11.860 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.792 -11.797 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.959 -11.469 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.700 -12.706 -3.863 1.00 0.00 H new ATOM 222 N ARG A 17 -15.376 -14.884 -4.154 1.00 0.00 N ATOM 223 CA ARG A 17 -16.397 -15.855 -4.546 1.00 0.00 C ATOM 224 C ARG A 17 -17.408 -15.240 -5.550 1.00 0.00 C ATOM 225 O ARG A 17 -18.167 -14.339 -5.180 1.00 0.00 O ATOM 226 CB ARG A 17 -17.125 -16.374 -3.301 1.00 0.00 C ATOM 227 CG ARG A 17 -16.119 -17.123 -2.406 1.00 0.00 C ATOM 228 CD ARG A 17 -16.761 -17.445 -1.054 1.00 0.00 C ATOM 229 NE ARG A 17 -17.935 -18.322 -1.232 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.808 -18.609 -0.231 1.00 0.00 C ATOM 231 NH1 ARG A 17 -18.654 -18.106 0.979 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.820 -19.397 -0.471 1.00 0.00 N ATOM 0 H ARG A 17 -15.721 -14.131 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.903 -16.688 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.571 -15.544 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.939 -17.039 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.800 -18.043 -2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.227 -16.514 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.032 -17.931 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.062 -16.522 -0.559 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.099 -18.733 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.867 -17.488 1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.322 -18.335 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.950 -19.791 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.481 -19.619 0.273 1.00 0.00 H new ATOM 246 N PRO A 18 -17.424 -15.692 -6.832 1.00 0.00 N ATOM 247 CA PRO A 18 -18.347 -15.133 -7.870 1.00 0.00 C ATOM 248 C PRO A 18 -19.792 -15.591 -7.688 1.00 0.00 C ATOM 249 O PRO A 18 -20.081 -16.470 -6.871 1.00 0.00 O ATOM 250 CB PRO A 18 -17.775 -15.664 -9.176 1.00 0.00 C ATOM 251 CG PRO A 18 -17.170 -16.972 -8.810 1.00 0.00 C ATOM 252 CD PRO A 18 -16.575 -16.776 -7.424 1.00 0.00 C ATOM 0 HA PRO A 18 -18.396 -14.045 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.552 -15.783 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.031 -14.984 -9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.920 -17.763 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.403 -17.263 -9.528 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.622 -17.691 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.526 -16.483 -7.475 1.00 0.00 H new ATOM 260 N GLY A 19 -20.690 -14.978 -8.463 1.00 0.00 N ATOM 261 CA GLY A 19 -22.122 -15.300 -8.407 1.00 0.00 C ATOM 262 C GLY A 19 -23.012 -14.042 -8.524 1.00 0.00 C ATOM 263 O GLY A 19 -24.221 -14.112 -8.288 1.00 0.00 O ATOM 0 H GLY A 19 -20.452 -14.253 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.368 -15.992 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.341 -15.811 -7.469 1.00 0.00 H new ATOM 267 N GLY A 20 -22.406 -12.899 -8.901 1.00 0.00 N ATOM 268 CA GLY A 20 -23.144 -11.643 -9.057 1.00 0.00 C ATOM 269 C GLY A 20 -23.583 -11.067 -7.708 1.00 0.00 C ATOM 270 O GLY A 20 -24.578 -10.338 -7.633 1.00 0.00 O ATOM 0 H GLY A 20 -21.409 -12.826 -9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.518 -10.916 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.021 -11.812 -9.682 1.00 0.00 H new ATOM 274 N VAL A 21 -22.833 -11.394 -6.648 1.00 0.00 N ATOM 275 CA VAL A 21 -23.138 -10.908 -5.301 1.00 0.00 C ATOM 276 C VAL A 21 -22.077 -9.903 -4.869 1.00 0.00 C ATOM 277 O VAL A 21 -20.876 -10.182 -4.953 1.00 0.00 O ATOM 278 CB VAL A 21 -23.209 -12.093 -4.298 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.552 -11.586 -2.886 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.283 -13.092 -4.748 1.00 0.00 C ATOM 0 H VAL A 21 -22.010 -11.994 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.110 -10.416 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.235 -12.582 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.597 -12.430 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.784 -10.887 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.518 -11.081 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.328 -13.921 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.251 -12.593 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.033 -13.473 -5.738 1.00 0.00 H new ATOM 290 N VAL A 22 -22.532 -8.734 -4.420 1.00 0.00 N ATOM 291 CA VAL A 22 -21.627 -7.677 -3.982 1.00 0.00 C ATOM 292 C VAL A 22 -20.990 -8.074 -2.655 1.00 0.00 C ATOM 293 O VAL A 22 -21.689 -8.320 -1.667 1.00 0.00 O ATOM 294 CB VAL A 22 -22.398 -6.333 -3.842 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.455 -5.213 -3.361 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.992 -5.934 -5.198 1.00 0.00 C ATOM 0 H VAL A 22 -23.522 -8.497 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.841 -7.541 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.194 -6.469 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.013 -4.281 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.036 -5.482 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.648 -5.083 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.531 -4.992 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.190 -5.816 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.678 -6.710 -5.537 1.00 0.00 H new ATOM 306 N HIS A 23 -19.660 -8.132 -2.652 1.00 0.00 N ATOM 307 CA HIS A 23 -18.905 -8.500 -1.451 1.00 0.00 C ATOM 308 C HIS A 23 -18.009 -7.364 -1.014 1.00 0.00 C ATOM 309 O HIS A 23 -17.349 -6.725 -1.841 1.00 0.00 O ATOM 310 CB HIS A 23 -18.050 -9.748 -1.707 1.00 0.00 C ATOM 311 CG HIS A 23 -18.935 -10.920 -2.049 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.749 -11.536 -1.111 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.143 -11.597 -3.225 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.403 -12.535 -1.736 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.069 -12.613 -3.025 1.00 0.00 N ATOM 0 H HIS A 23 -19.081 -7.929 -3.467 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.625 -8.715 -0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.352 -9.559 -2.522 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.454 -9.978 -0.824 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.837 -11.280 -0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.659 -11.373 -4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.111 -13.192 -1.252 1.00 0.00 H new ATOM 323 N SER A 24 -17.965 -7.136 0.296 1.00 0.00 N ATOM 324 CA SER A 24 -17.123 -6.092 0.869 1.00 0.00 C ATOM 325 C SER A 24 -16.150 -6.681 1.877 1.00 0.00 C ATOM 326 O SER A 24 -16.543 -7.448 2.765 1.00 0.00 O ATOM 327 CB SER A 24 -17.983 -5.024 1.545 1.00 0.00 C ATOM 328 OG SER A 24 -18.825 -4.414 0.575 1.00 0.00 O ATOM 0 H SER A 24 -18.505 -7.663 0.982 1.00 0.00 H new ATOM 0 HA SER A 24 -16.556 -5.632 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.585 -5.472 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.348 -4.273 2.015 1.00 0.00 H new ATOM 0 HG SER A 24 -19.379 -3.730 1.006 1.00 0.00 H new ATOM 334 N PHE A 25 -14.884 -6.302 1.741 1.00 0.00 N ATOM 335 CA PHE A 25 -13.832 -6.765 2.642 1.00 0.00 C ATOM 336 C PHE A 25 -12.966 -5.576 3.067 1.00 0.00 C ATOM 337 O PHE A 25 -12.608 -4.740 2.236 1.00 0.00 O ATOM 338 CB PHE A 25 -12.975 -7.838 1.946 1.00 0.00 C ATOM 339 CG PHE A 25 -11.976 -8.418 2.926 1.00 0.00 C ATOM 340 CD1 PHE A 25 -12.373 -9.431 3.802 1.00 0.00 C ATOM 341 CD2 PHE A 25 -10.662 -7.938 2.959 1.00 0.00 C ATOM 342 CE1 PHE A 25 -11.459 -9.968 4.714 1.00 0.00 C ATOM 343 CE2 PHE A 25 -9.746 -8.476 3.872 1.00 0.00 C ATOM 344 CZ PHE A 25 -10.145 -9.490 4.749 1.00 0.00 C ATOM 0 H PHE A 25 -14.559 -5.670 1.009 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.283 -7.210 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.615 -8.629 1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.451 -7.402 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.388 -9.800 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.355 -7.155 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.767 -10.751 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.731 -8.108 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.438 -9.904 5.453 1.00 0.00 H new ATOM 354 N SER A 26 -12.673 -5.483 4.373 1.00 0.00 N ATOM 355 CA SER A 26 -11.896 -4.357 4.903 1.00 0.00 C ATOM 356 C SER A 26 -10.859 -4.818 5.923 1.00 0.00 C ATOM 357 O SER A 26 -10.902 -5.955 6.401 1.00 0.00 O ATOM 358 CB SER A 26 -12.831 -3.335 5.541 1.00 0.00 C ATOM 359 OG SER A 26 -13.440 -3.908 6.690 1.00 0.00 O ATOM 0 H SER A 26 -12.960 -6.167 5.073 1.00 0.00 H new ATOM 0 HA SER A 26 -11.364 -3.898 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.275 -2.440 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.594 -3.027 4.826 1.00 0.00 H new ATOM 0 HG SER A 26 -14.040 -3.253 7.103 1.00 0.00 H new ATOM 365 N HIS A 27 -9.909 -3.924 6.227 1.00 0.00 N ATOM 366 CA HIS A 27 -8.826 -4.221 7.164 1.00 0.00 C ATOM 367 C HIS A 27 -8.387 -2.954 7.904 1.00 0.00 C ATOM 368 O HIS A 27 -8.458 -1.848 7.360 1.00 0.00 O ATOM 369 CB HIS A 27 -7.636 -4.833 6.407 1.00 0.00 C ATOM 370 CG HIS A 27 -6.610 -5.352 7.385 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.613 -4.541 7.906 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.418 -6.588 7.942 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.870 -5.297 8.736 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.319 -6.553 8.795 1.00 0.00 N ATOM 0 H HIS A 27 -9.872 -2.984 5.833 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.189 -4.938 7.901 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.981 -5.644 5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.184 -4.083 5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.027 -7.458 7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.016 -4.932 9.287 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.938 -7.322 9.347 1.00 0.00 H new ATOM 382 N ASN A 28 -7.953 -3.130 9.157 1.00 0.00 N ATOM 383 CA ASN A 28 -7.520 -2.011 9.999 1.00 0.00 C ATOM 384 C ASN A 28 -6.435 -2.443 10.962 1.00 0.00 C ATOM 385 O ASN A 28 -6.165 -3.639 11.116 1.00 0.00 O ATOM 386 CB ASN A 28 -8.711 -1.425 10.766 1.00 0.00 C ATOM 387 CG ASN A 28 -9.360 -2.497 11.642 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.665 -3.285 12.285 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.660 -2.574 11.706 1.00 0.00 N ATOM 0 H ASN A 28 -7.892 -4.041 9.611 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.108 -1.239 9.348 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.378 -0.592 11.386 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.444 -1.027 10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.101 -3.286 12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.236 -1.922 11.174 1.00 0.00 H new ATOM 396 N VAL A 29 -5.786 -1.453 11.579 1.00 0.00 N ATOM 397 CA VAL A 29 -4.686 -1.708 12.500 1.00 0.00 C ATOM 398 C VAL A 29 -4.974 -1.072 13.870 1.00 0.00 C ATOM 399 O VAL A 29 -5.699 -0.084 13.954 1.00 0.00 O ATOM 400 CB VAL A 29 -3.374 -1.184 11.876 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.402 0.348 11.722 1.00 0.00 C ATOM 402 CG2 VAL A 29 -2.188 -1.609 12.731 1.00 0.00 C ATOM 0 H VAL A 29 -6.007 -0.465 11.454 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.579 -2.780 12.668 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.272 -1.617 10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.465 0.686 11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.232 0.634 11.076 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.529 0.810 12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.266 -1.236 12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.298 -1.199 13.735 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.150 -2.697 12.786 1.00 0.00 H new ATOM 412 N GLY A 30 -4.482 -1.714 14.946 1.00 0.00 N ATOM 413 CA GLY A 30 -4.773 -1.272 16.326 1.00 0.00 C ATOM 414 C GLY A 30 -4.719 0.269 16.486 1.00 0.00 C ATOM 415 O GLY A 30 -5.771 0.901 16.633 1.00 0.00 O ATOM 0 H GLY A 30 -3.883 -2.538 14.889 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.761 -1.629 16.616 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.056 -1.729 17.008 1.00 0.00 H new ATOM 419 N PRO A 31 -3.527 0.900 16.440 1.00 0.00 N ATOM 420 CA PRO A 31 -3.411 2.396 16.566 1.00 0.00 C ATOM 421 C PRO A 31 -4.258 3.108 15.512 1.00 0.00 C ATOM 422 O PRO A 31 -4.901 4.124 15.792 1.00 0.00 O ATOM 423 CB PRO A 31 -1.919 2.656 16.323 1.00 0.00 C ATOM 424 CG PRO A 31 -1.248 1.386 16.720 1.00 0.00 C ATOM 425 CD PRO A 31 -2.187 0.277 16.274 1.00 0.00 C ATOM 0 HA PRO A 31 -3.764 2.766 17.529 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.724 2.898 15.278 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.561 3.497 16.917 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.273 1.291 16.242 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.081 1.350 17.796 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.003 -0.019 15.241 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.077 -0.618 16.887 1.00 0.00 H new ATOM 433 N GLY A 32 -4.253 2.550 14.303 1.00 0.00 N ATOM 434 CA GLY A 32 -5.014 3.093 13.181 1.00 0.00 C ATOM 435 C GLY A 32 -6.397 2.454 13.077 1.00 0.00 C ATOM 436 O GLY A 32 -6.886 2.204 11.969 1.00 0.00 O ATOM 0 H GLY A 32 -3.722 1.710 14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.119 4.171 13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.465 2.927 12.254 1.00 0.00 H new ATOM 440 N ASP A 33 -7.018 2.171 14.233 1.00 0.00 N ATOM 441 CA ASP A 33 -8.345 1.536 14.253 1.00 0.00 C ATOM 442 C ASP A 33 -9.369 2.401 13.522 1.00 0.00 C ATOM 443 O ASP A 33 -10.244 1.885 12.818 1.00 0.00 O ATOM 444 CB ASP A 33 -8.801 1.301 15.696 1.00 0.00 C ATOM 445 CG ASP A 33 -10.121 0.537 15.710 1.00 0.00 C ATOM 446 OD1 ASP A 33 -10.121 -0.613 15.304 1.00 0.00 O ATOM 447 OD2 ASP A 33 -11.113 1.113 16.126 1.00 0.00 O ATOM 0 H ASP A 33 -6.629 2.369 15.155 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.269 0.576 13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.041 0.739 16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.919 2.256 16.209 1.00 0.00 H new ATOM 452 N LYS A 34 -9.224 3.719 13.662 1.00 0.00 N ATOM 453 CA LYS A 34 -10.096 4.677 12.990 1.00 0.00 C ATOM 454 C LYS A 34 -9.947 4.580 11.470 1.00 0.00 C ATOM 455 O LYS A 34 -10.918 4.775 10.733 1.00 0.00 O ATOM 456 CB LYS A 34 -9.775 6.106 13.453 1.00 0.00 C ATOM 457 CG LYS A 34 -10.188 6.298 14.926 1.00 0.00 C ATOM 458 CD LYS A 34 -11.722 6.353 15.048 1.00 0.00 C ATOM 459 CE LYS A 34 -12.107 6.717 16.483 1.00 0.00 C ATOM 460 NZ LYS A 34 -11.677 5.627 17.404 1.00 0.00 N ATOM 0 H LYS A 34 -8.503 4.149 14.241 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.126 4.437 13.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.709 6.301 13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.300 6.825 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.797 5.479 15.530 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.752 7.218 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.126 7.090 14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.154 5.389 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.636 7.657 16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.184 6.865 16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.124 5.761 18.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.964 4.708 17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.643 5.651 17.511 1.00 0.00 H new ATOM 474 N TYR A 35 -8.710 4.332 11.010 1.00 0.00 N ATOM 475 CA TYR A 35 -8.419 4.273 9.568 1.00 0.00 C ATOM 476 C TYR A 35 -8.590 2.844 9.057 1.00 0.00 C ATOM 477 O TYR A 35 -7.892 1.929 9.507 1.00 0.00 O ATOM 478 CB TYR A 35 -6.974 4.745 9.300 1.00 0.00 C ATOM 479 CG TYR A 35 -6.784 6.157 9.829 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.144 6.359 11.061 1.00 0.00 C ATOM 481 CD2 TYR A 35 -7.258 7.253 9.104 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.979 7.652 11.562 1.00 0.00 C ATOM 483 CE2 TYR A 35 -7.089 8.550 9.608 1.00 0.00 C ATOM 484 CZ TYR A 35 -6.451 8.748 10.836 1.00 0.00 C ATOM 485 OH TYR A 35 -6.289 10.025 11.332 1.00 0.00 O ATOM 0 H TYR A 35 -7.901 4.170 11.610 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.115 4.928 9.044 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.267 4.069 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.766 4.717 8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.778 5.513 11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.754 7.101 8.157 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.486 7.805 12.511 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.452 9.398 9.047 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.673 10.671 10.703 1.00 0.00 H new ATOM 495 N THR A 36 -9.551 2.654 8.142 1.00 0.00 N ATOM 496 CA THR A 36 -9.849 1.325 7.600 1.00 0.00 C ATOM 497 C THR A 36 -9.919 1.348 6.064 1.00 0.00 C ATOM 498 O THR A 36 -10.642 2.163 5.481 1.00 0.00 O ATOM 499 CB THR A 36 -11.190 0.822 8.192 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.090 0.783 9.609 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.523 -0.587 7.671 1.00 0.00 C ATOM 0 H THR A 36 -10.132 3.402 7.764 1.00 0.00 H new ATOM 0 HA THR A 36 -9.044 0.646 7.881 1.00 0.00 H new ATOM 0 HB THR A 36 -11.983 1.504 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.937 0.467 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.468 -0.919 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.606 -0.563 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.731 -1.278 7.959 1.00 0.00 H new ATOM 509 N CYS A 37 -9.236 0.379 5.427 1.00 0.00 N ATOM 510 CA CYS A 37 -9.302 0.222 3.971 1.00 0.00 C ATOM 511 C CYS A 37 -10.464 -0.696 3.619 1.00 0.00 C ATOM 512 O CYS A 37 -10.714 -1.683 4.320 1.00 0.00 O ATOM 513 CB CYS A 37 -7.997 -0.377 3.411 1.00 0.00 C ATOM 514 SG CYS A 37 -6.630 0.797 3.608 1.00 0.00 S ATOM 0 H CYS A 37 -8.638 -0.300 5.898 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.445 1.207 3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.764 -1.307 3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.125 -0.623 2.357 1.00 0.00 H new ATOM 519 N MET A 38 -11.177 -0.365 2.540 1.00 0.00 N ATOM 520 CA MET A 38 -12.325 -1.163 2.100 1.00 0.00 C ATOM 521 C MET A 38 -12.187 -1.562 0.653 1.00 0.00 C ATOM 522 O MET A 38 -11.630 -0.817 -0.162 1.00 0.00 O ATOM 523 CB MET A 38 -13.629 -0.391 2.276 1.00 0.00 C ATOM 524 CG MET A 38 -13.869 -0.117 3.754 1.00 0.00 C ATOM 525 SD MET A 38 -15.418 0.792 3.946 1.00 0.00 S ATOM 526 CE MET A 38 -16.527 -0.581 3.551 1.00 0.00 C ATOM 0 H MET A 38 -10.981 0.448 1.956 1.00 0.00 H new ATOM 0 HA MET A 38 -12.348 -2.059 2.721 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.584 0.548 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.460 -0.963 1.863 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.913 -1.055 4.307 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.042 0.459 4.168 1.00 0.00 H new ATOM 0 HE1 MET A 38 -17.492 -0.418 4.030 1.00 0.00 H new ATOM 0 HE2 MET A 38 -16.663 -0.640 2.471 1.00 0.00 H new ATOM 0 HE3 MET A 38 -16.095 -1.514 3.913 1.00 0.00 H new ATOM 536 N PHE A 39 -12.718 -2.735 0.336 1.00 0.00 N ATOM 537 CA PHE A 39 -12.691 -3.253 -1.021 1.00 0.00 C ATOM 538 C PHE A 39 -14.031 -3.900 -1.372 1.00 0.00 C ATOM 539 O PHE A 39 -14.402 -4.937 -0.814 1.00 0.00 O ATOM 540 CB PHE A 39 -11.528 -4.264 -1.175 1.00 0.00 C ATOM 541 CG PHE A 39 -11.429 -4.752 -2.616 1.00 0.00 C ATOM 542 CD1 PHE A 39 -11.070 -3.860 -3.630 1.00 0.00 C ATOM 543 CD2 PHE A 39 -11.693 -6.093 -2.927 1.00 0.00 C ATOM 544 CE1 PHE A 39 -10.978 -4.303 -4.951 1.00 0.00 C ATOM 545 CE2 PHE A 39 -11.600 -6.535 -4.251 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.243 -5.640 -5.262 1.00 0.00 C ATOM 0 H PHE A 39 -13.176 -3.349 1.009 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.526 -2.428 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.590 -3.795 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.685 -5.112 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.864 -2.827 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.968 -6.785 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.702 -3.612 -5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.804 -7.568 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.172 -5.981 -6.284 1.00 0.00 H new ATOM 556 N THR A 40 -14.727 -3.287 -2.328 1.00 0.00 N ATOM 557 CA THR A 40 -16.009 -3.794 -2.807 1.00 0.00 C ATOM 558 C THR A 40 -15.830 -4.311 -4.233 1.00 0.00 C ATOM 559 O THR A 40 -15.226 -3.633 -5.068 1.00 0.00 O ATOM 560 CB THR A 40 -17.070 -2.670 -2.765 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.196 -2.200 -1.430 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.433 -3.202 -3.242 1.00 0.00 C ATOM 0 H THR A 40 -14.420 -2.431 -2.789 1.00 0.00 H new ATOM 0 HA THR A 40 -16.351 -4.608 -2.168 1.00 0.00 H new ATOM 0 HB THR A 40 -16.755 -1.860 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.866 -1.486 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.169 -2.399 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.343 -3.567 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.753 -4.017 -2.593 1.00 0.00 H new ATOM 570 N TYR A 41 -16.301 -5.536 -4.483 1.00 0.00 N ATOM 571 CA TYR A 41 -16.129 -6.162 -5.795 1.00 0.00 C ATOM 572 C TYR A 41 -17.298 -7.070 -6.161 1.00 0.00 C ATOM 573 O TYR A 41 -18.038 -7.541 -5.293 1.00 0.00 O ATOM 574 CB TYR A 41 -14.804 -6.953 -5.831 1.00 0.00 C ATOM 575 CG TYR A 41 -14.815 -8.057 -4.781 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.261 -9.341 -5.114 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.379 -7.785 -3.480 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.270 -10.354 -4.145 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.388 -8.795 -2.511 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.831 -10.080 -2.843 1.00 0.00 C ATOM 581 OH TYR A 41 -14.838 -11.077 -1.887 1.00 0.00 O ATOM 0 H TYR A 41 -16.799 -6.108 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.099 -5.364 -6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.658 -7.385 -6.821 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.966 -6.279 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.598 -9.552 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.035 -6.794 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.615 -11.345 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.053 -8.582 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.502 -10.719 -1.039 1.00 0.00 H new ATOM 591 N ALA A 42 -17.421 -7.336 -7.460 1.00 0.00 N ATOM 592 CA ALA A 42 -18.460 -8.221 -7.982 1.00 0.00 C ATOM 593 C ALA A 42 -17.880 -9.110 -9.080 1.00 0.00 C ATOM 594 O ALA A 42 -17.135 -8.629 -9.950 1.00 0.00 O ATOM 595 CB ALA A 42 -19.627 -7.400 -8.525 1.00 0.00 C ATOM 0 H ALA A 42 -16.808 -6.947 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.828 -8.853 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.395 -8.070 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.047 -6.790 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.274 -6.752 -9.327 1.00 0.00 H new ATOM 601 N SER A 43 -18.189 -10.416 -9.013 1.00 0.00 N ATOM 602 CA SER A 43 -17.654 -11.384 -9.974 1.00 0.00 C ATOM 603 C SER A 43 -18.723 -12.362 -10.443 1.00 0.00 C ATOM 604 O SER A 43 -19.716 -12.590 -9.751 1.00 0.00 O ATOM 605 CB SER A 43 -16.491 -12.147 -9.348 1.00 0.00 C ATOM 606 OG SER A 43 -15.484 -11.225 -8.951 1.00 0.00 O ATOM 0 H SER A 43 -18.803 -10.820 -8.306 1.00 0.00 H new ATOM 0 HA SER A 43 -17.304 -10.830 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.837 -12.718 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.084 -12.863 -10.062 1.00 0.00 H new ATOM 0 HG SER A 43 -14.616 -11.520 -9.297 1.00 0.00 H new ATOM 612 N GLN A 44 -18.491 -12.949 -11.620 1.00 0.00 N ATOM 613 CA GLN A 44 -19.408 -13.928 -12.197 1.00 0.00 C ATOM 614 C GLN A 44 -18.647 -15.195 -12.589 1.00 0.00 C ATOM 615 O GLN A 44 -17.607 -15.126 -13.252 1.00 0.00 O ATOM 616 CB GLN A 44 -20.109 -13.338 -13.429 1.00 0.00 C ATOM 617 CG GLN A 44 -21.235 -14.276 -13.907 1.00 0.00 C ATOM 618 CD GLN A 44 -22.326 -14.405 -12.840 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.853 -13.399 -12.365 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.701 -15.591 -12.440 1.00 0.00 N ATOM 0 H GLN A 44 -17.669 -12.760 -12.193 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.161 -14.182 -11.451 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.521 -12.359 -13.186 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.386 -13.190 -14.231 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.667 -13.891 -14.831 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.823 -15.260 -14.133 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.264 -16.424 -12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.431 -15.684 -11.734 1.00 0.00 H new ATOM 629 N GLY A 45 -19.160 -16.340 -12.146 1.00 0.00 N ATOM 630 CA GLY A 45 -18.534 -17.630 -12.405 1.00 0.00 C ATOM 631 C GLY A 45 -18.854 -18.599 -11.276 1.00 0.00 C ATOM 632 O GLY A 45 -19.588 -18.248 -10.345 1.00 0.00 O ATOM 0 H GLY A 45 -20.019 -16.398 -11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.890 -18.033 -13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.455 -17.508 -12.496 1.00 0.00 H new ATOM 636 N GLY A 46 -18.324 -19.823 -11.367 1.00 0.00 N ATOM 637 CA GLY A 46 -18.584 -20.849 -10.348 1.00 0.00 C ATOM 638 C GLY A 46 -17.332 -21.232 -9.539 1.00 0.00 C ATOM 639 O GLY A 46 -17.391 -22.149 -8.711 1.00 0.00 O ATOM 0 H GLY A 46 -17.717 -20.127 -12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.353 -20.487 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.982 -21.740 -10.833 1.00 0.00 H new ATOM 643 N THR A 47 -16.200 -20.537 -9.777 1.00 0.00 N ATOM 644 CA THR A 47 -14.956 -20.836 -9.055 1.00 0.00 C ATOM 645 C THR A 47 -14.417 -19.583 -8.365 1.00 0.00 C ATOM 646 O THR A 47 -14.285 -18.525 -8.992 1.00 0.00 O ATOM 647 CB THR A 47 -13.904 -21.409 -10.029 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.442 -22.557 -10.670 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.631 -21.816 -9.264 1.00 0.00 C ATOM 0 H THR A 47 -16.126 -19.777 -10.454 1.00 0.00 H new ATOM 0 HA THR A 47 -15.170 -21.581 -8.289 1.00 0.00 H new ATOM 0 HB THR A 47 -13.650 -20.646 -10.765 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.780 -22.925 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.899 -22.218 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.213 -20.943 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.879 -22.575 -8.523 1.00 0.00 H new ATOM 657 N ASN A 48 -14.094 -19.723 -7.074 1.00 0.00 N ATOM 658 CA ASN A 48 -13.553 -18.619 -6.296 1.00 0.00 C ATOM 659 C ASN A 48 -12.048 -18.473 -6.532 1.00 0.00 C ATOM 660 O ASN A 48 -11.458 -19.228 -7.312 1.00 0.00 O ATOM 661 CB ASN A 48 -13.852 -18.820 -4.799 1.00 0.00 C ATOM 662 CG ASN A 48 -13.166 -20.084 -4.252 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.236 -20.619 -4.864 1.00 0.00 O ATOM 664 ND2 ASN A 48 -13.580 -20.593 -3.123 1.00 0.00 N ATOM 0 H ASN A 48 -14.200 -20.593 -6.552 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.037 -17.699 -6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.512 -17.949 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.929 -18.895 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.136 -21.431 -2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.348 -20.153 -2.616 1.00 0.00 H new ATOM 671 N GLU A 49 -11.439 -17.480 -5.871 1.00 0.00 N ATOM 672 CA GLU A 49 -10.013 -17.206 -6.025 1.00 0.00 C ATOM 673 C GLU A 49 -9.415 -16.739 -4.702 1.00 0.00 C ATOM 674 O GLU A 49 -10.102 -16.139 -3.882 1.00 0.00 O ATOM 675 CB GLU A 49 -9.803 -16.135 -7.110 1.00 0.00 C ATOM 676 CG GLU A 49 -8.295 -15.888 -7.360 1.00 0.00 C ATOM 677 CD GLU A 49 -7.586 -17.162 -7.863 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.253 -18.020 -8.431 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.385 -17.257 -7.667 1.00 0.00 O ATOM 0 H GLU A 49 -11.918 -16.854 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.508 -18.124 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.282 -16.452 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.282 -15.205 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.173 -15.090 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.824 -15.549 -6.438 1.00 0.00 H new ATOM 686 N GLN A 50 -8.125 -17.003 -4.525 1.00 0.00 N ATOM 687 CA GLN A 50 -7.412 -16.587 -3.320 1.00 0.00 C ATOM 688 C GLN A 50 -6.582 -15.342 -3.604 1.00 0.00 C ATOM 689 O GLN A 50 -5.844 -15.290 -4.589 1.00 0.00 O ATOM 690 CB GLN A 50 -6.514 -17.717 -2.818 1.00 0.00 C ATOM 691 CG GLN A 50 -7.386 -18.896 -2.374 1.00 0.00 C ATOM 692 CD GLN A 50 -6.509 -20.041 -1.884 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.526 -19.813 -1.178 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.805 -21.267 -2.216 1.00 0.00 N ATOM 0 H GLN A 50 -7.550 -17.504 -5.202 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.143 -16.353 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.831 -18.032 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.902 -17.369 -1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.062 -18.580 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.006 -19.233 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.619 -21.455 -2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.222 -22.038 -1.891 1.00 0.00 H new ATOM 703 N TRP A 51 -6.739 -14.331 -2.749 1.00 0.00 N ATOM 704 CA TRP A 51 -6.030 -13.056 -2.904 1.00 0.00 C ATOM 705 C TRP A 51 -5.271 -12.684 -1.640 1.00 0.00 C ATOM 706 O TRP A 51 -5.747 -12.919 -0.525 1.00 0.00 O ATOM 707 CB TRP A 51 -7.019 -11.940 -3.241 1.00 0.00 C ATOM 708 CG TRP A 51 -7.539 -12.104 -4.633 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.376 -13.083 -5.046 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.285 -11.265 -5.794 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.639 -12.902 -6.395 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.988 -11.790 -6.899 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.508 -10.107 -5.992 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.930 -11.189 -8.158 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.446 -9.497 -7.257 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.155 -10.037 -8.338 1.00 0.00 C ATOM 0 H TRP A 51 -7.354 -14.369 -1.936 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.314 -13.176 -3.717 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.848 -11.954 -2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.531 -10.971 -3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.773 -13.874 -4.428 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.239 -13.514 -6.948 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.956 -9.685 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.479 -11.610 -8.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.849 -8.608 -7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.104 -9.566 -9.308 1.00 0.00 H new ATOM 727 N GLN A 52 -4.109 -12.055 -1.827 1.00 0.00 N ATOM 728 CA GLN A 52 -3.291 -11.585 -0.706 1.00 0.00 C ATOM 729 C GLN A 52 -3.392 -10.070 -0.580 1.00 0.00 C ATOM 730 O GLN A 52 -3.347 -9.352 -1.585 1.00 0.00 O ATOM 731 CB GLN A 52 -1.820 -11.975 -0.907 1.00 0.00 C ATOM 732 CG GLN A 52 -1.685 -13.499 -0.941 1.00 0.00 C ATOM 733 CD GLN A 52 -0.227 -13.888 -1.153 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.387 -13.486 -2.141 1.00 0.00 O ATOM 735 NE2 GLN A 52 0.367 -14.651 -0.277 1.00 0.00 N ATOM 0 H GLN A 52 -3.712 -11.859 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.664 -12.054 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.445 -11.547 -1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.213 -11.565 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.052 -13.926 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.300 -13.909 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.145 -14.982 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.343 -14.916 -0.410 1.00 0.00 H new ATOM 744 N MET A 53 -3.492 -9.587 0.664 1.00 0.00 N ATOM 745 CA MET A 53 -3.557 -8.149 0.929 1.00 0.00 C ATOM 746 C MET A 53 -2.407 -7.747 1.813 1.00 0.00 C ATOM 747 O MET A 53 -2.081 -8.454 2.761 1.00 0.00 O ATOM 748 CB MET A 53 -4.870 -7.769 1.629 1.00 0.00 C ATOM 749 CG MET A 53 -6.063 -8.134 0.750 1.00 0.00 C ATOM 750 SD MET A 53 -7.604 -7.738 1.630 1.00 0.00 S ATOM 751 CE MET A 53 -7.525 -5.928 1.507 1.00 0.00 C ATOM 0 H MET A 53 -3.529 -10.171 1.500 1.00 0.00 H new ATOM 0 HA MET A 53 -3.505 -7.630 -0.028 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.943 -8.286 2.586 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.880 -6.700 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.017 -7.585 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.035 -9.195 0.502 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.648 -5.490 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.559 -5.633 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.320 -5.573 0.852 1.00 0.00 H new ATOM 761 N SER A 54 -1.816 -6.596 1.519 1.00 0.00 N ATOM 762 CA SER A 54 -0.718 -6.070 2.323 1.00 0.00 C ATOM 763 C SER A 54 -0.922 -4.597 2.600 1.00 0.00 C ATOM 764 O SER A 54 -1.316 -3.838 1.709 1.00 0.00 O ATOM 765 CB SER A 54 0.616 -6.304 1.622 1.00 0.00 C ATOM 766 OG SER A 54 0.867 -7.704 1.557 1.00 0.00 O ATOM 0 H SER A 54 -2.078 -6.007 0.729 1.00 0.00 H new ATOM 0 HA SER A 54 -0.703 -6.599 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.594 -5.879 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.418 -5.802 2.163 1.00 0.00 H new ATOM 0 HG SER A 54 0.525 -8.059 0.710 1.00 0.00 H new ATOM 772 N LEU A 55 -0.661 -4.199 3.843 1.00 0.00 N ATOM 773 CA LEU A 55 -0.827 -2.810 4.257 1.00 0.00 C ATOM 774 C LEU A 55 0.307 -2.374 5.168 1.00 0.00 C ATOM 775 O LEU A 55 0.890 -3.193 5.892 1.00 0.00 O ATOM 776 CB LEU A 55 -2.184 -2.611 4.969 1.00 0.00 C ATOM 777 CG LEU A 55 -2.290 -3.538 6.227 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.120 -2.847 7.319 1.00 0.00 C ATOM 779 CD2 LEU A 55 -2.969 -4.871 5.853 1.00 0.00 C ATOM 0 H LEU A 55 -0.333 -4.821 4.582 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.807 -2.191 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.294 -1.569 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.998 -2.832 4.279 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.283 -3.734 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.189 -3.498 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.640 -1.910 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.121 -2.641 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.036 -5.506 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.971 -4.674 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.381 -5.377 5.087 1.00 0.00 H new ATOM 791 N GLY A 56 0.606 -1.077 5.133 1.00 0.00 N ATOM 792 CA GLY A 56 1.660 -0.506 5.959 1.00 0.00 C ATOM 793 C GLY A 56 1.346 0.941 6.303 1.00 0.00 C ATOM 794 O GLY A 56 0.567 1.601 5.600 1.00 0.00 O ATOM 0 H GLY A 56 0.128 -0.401 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.767 -1.088 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.613 -0.562 5.432 1.00 0.00 H new ATOM 798 N THR A 57 1.936 1.423 7.396 1.00 0.00 N ATOM 799 CA THR A 57 1.704 2.795 7.858 1.00 0.00 C ATOM 800 C THR A 57 3.018 3.502 8.169 1.00 0.00 C ATOM 801 O THR A 57 4.034 2.858 8.444 1.00 0.00 O ATOM 802 CB THR A 57 0.808 2.791 9.110 1.00 0.00 C ATOM 803 OG1 THR A 57 1.451 2.067 10.150 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.544 2.142 8.789 1.00 0.00 C ATOM 0 H THR A 57 2.578 0.886 7.979 1.00 0.00 H new ATOM 0 HA THR A 57 1.203 3.337 7.056 1.00 0.00 H new ATOM 0 HB THR A 57 0.639 3.819 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.882 2.066 10.948 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.170 2.144 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.039 2.705 7.997 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.386 1.115 8.460 1.00 0.00 H new ATOM 812 N SER A 58 2.974 4.837 8.156 1.00 0.00 N ATOM 813 CA SER A 58 4.138 5.663 8.471 1.00 0.00 C ATOM 814 C SER A 58 4.476 5.552 9.953 1.00 0.00 C ATOM 815 O SER A 58 3.604 5.236 10.768 1.00 0.00 O ATOM 816 CB SER A 58 3.860 7.122 8.109 1.00 0.00 C ATOM 817 OG SER A 58 4.971 7.921 8.495 1.00 0.00 O ATOM 0 H SER A 58 2.135 5.371 7.928 1.00 0.00 H new ATOM 0 HA SER A 58 4.987 5.308 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.685 7.216 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.957 7.468 8.611 1.00 0.00 H new ATOM 0 HG SER A 58 4.797 8.857 8.263 1.00 0.00 H new ATOM 823 N GLU A 59 5.750 5.792 10.299 1.00 0.00 N ATOM 824 CA GLU A 59 6.188 5.712 11.700 1.00 0.00 C ATOM 825 C GLU A 59 5.372 6.668 12.595 1.00 0.00 C ATOM 826 O GLU A 59 5.170 6.396 13.781 1.00 0.00 O ATOM 827 CB GLU A 59 7.698 6.013 11.815 1.00 0.00 C ATOM 828 CG GLU A 59 8.003 7.430 11.303 1.00 0.00 C ATOM 829 CD GLU A 59 9.500 7.712 11.402 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.075 7.408 12.436 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.051 8.228 10.444 1.00 0.00 O ATOM 0 H GLU A 59 6.486 6.040 9.638 1.00 0.00 H new ATOM 0 HA GLU A 59 6.011 4.695 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.016 5.918 12.853 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.266 5.282 11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.674 7.530 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.447 8.164 11.887 1.00 0.00 H new ATOM 838 N ASP A 60 4.861 7.755 11.995 1.00 0.00 N ATOM 839 CA ASP A 60 4.011 8.718 12.717 1.00 0.00 C ATOM 840 C ASP A 60 2.506 8.415 12.518 1.00 0.00 C ATOM 841 O ASP A 60 1.652 9.123 13.058 1.00 0.00 O ATOM 842 CB ASP A 60 4.315 10.146 12.255 1.00 0.00 C ATOM 843 CG ASP A 60 5.779 10.477 12.511 1.00 0.00 C ATOM 844 OD1 ASP A 60 6.579 10.259 11.618 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.079 10.941 13.599 1.00 0.00 O ATOM 0 H ASP A 60 5.020 7.989 11.015 1.00 0.00 H new ATOM 0 HA ASP A 60 4.238 8.622 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.091 10.249 11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.676 10.852 12.785 1.00 0.00 H new ATOM 850 N HIS A 61 2.195 7.360 11.737 1.00 0.00 N ATOM 851 CA HIS A 61 0.805 6.960 11.463 1.00 0.00 C ATOM 852 C HIS A 61 0.027 8.079 10.749 1.00 0.00 C ATOM 853 O HIS A 61 -1.203 8.161 10.851 1.00 0.00 O ATOM 854 CB HIS A 61 0.099 6.566 12.773 1.00 0.00 C ATOM 855 CG HIS A 61 0.788 5.366 13.371 1.00 0.00 C ATOM 856 ND1 HIS A 61 0.249 4.091 13.300 1.00 0.00 N ATOM 857 CD2 HIS A 61 1.985 5.232 14.031 1.00 0.00 C ATOM 858 CE1 HIS A 61 1.112 3.252 13.904 1.00 0.00 C ATOM 859 NE2 HIS A 61 2.187 3.897 14.367 1.00 0.00 N ATOM 0 H HIS A 61 2.893 6.770 11.285 1.00 0.00 H new ATOM 0 HA HIS A 61 0.828 6.097 10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.120 7.399 13.476 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.949 6.339 12.580 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.666 6.040 14.255 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.955 2.188 14.002 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.985 3.496 14.861 1.00 0.00 H new ATOM 867 N GLN A 62 0.756 8.912 9.997 1.00 0.00 N ATOM 868 CA GLN A 62 0.156 10.006 9.227 1.00 0.00 C ATOM 869 C GLN A 62 -0.332 9.535 7.847 1.00 0.00 C ATOM 870 O GLN A 62 -1.323 10.052 7.323 1.00 0.00 O ATOM 871 CB GLN A 62 1.151 11.172 9.078 1.00 0.00 C ATOM 872 CG GLN A 62 2.430 10.687 8.388 1.00 0.00 C ATOM 873 CD GLN A 62 3.354 11.867 8.100 1.00 0.00 C ATOM 874 OE1 GLN A 62 2.973 12.793 7.386 1.00 0.00 O ATOM 875 NE2 GLN A 62 4.551 11.891 8.620 1.00 0.00 N ATOM 0 H GLN A 62 1.770 8.847 9.906 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.716 10.355 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.698 11.975 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.391 11.583 10.059 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.941 9.962 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.179 10.177 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.865 11.122 9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.172 12.679 8.434 1.00 0.00 H new ATOM 884 N HIS A 63 0.370 8.545 7.268 1.00 0.00 N ATOM 885 CA HIS A 63 0.006 7.999 5.950 1.00 0.00 C ATOM 886 C HIS A 63 -0.389 6.530 6.046 1.00 0.00 C ATOM 887 O HIS A 63 0.296 5.733 6.695 1.00 0.00 O ATOM 888 CB HIS A 63 1.166 8.150 4.954 1.00 0.00 C ATOM 889 CG HIS A 63 1.380 9.600 4.622 1.00 0.00 C ATOM 890 ND1 HIS A 63 0.482 10.315 3.847 1.00 0.00 N ATOM 891 CD2 HIS A 63 2.393 10.474 4.922 1.00 0.00 C ATOM 892 CE1 HIS A 63 0.969 11.559 3.708 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.132 11.710 4.342 1.00 0.00 N ATOM 0 H HIS A 63 1.189 8.109 7.691 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.851 8.570 5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.077 7.729 5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.949 7.589 4.045 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -0.390 9.961 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.262 10.238 5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.478 12.342 3.150 1.00 0.00 H new ATOM 901 N PHE A 64 -1.490 6.176 5.370 1.00 0.00 N ATOM 902 CA PHE A 64 -1.979 4.790 5.347 1.00 0.00 C ATOM 903 C PHE A 64 -2.055 4.265 3.919 1.00 0.00 C ATOM 904 O PHE A 64 -2.623 4.922 3.048 1.00 0.00 O ATOM 905 CB PHE A 64 -3.362 4.707 6.002 1.00 0.00 C ATOM 906 CG PHE A 64 -3.237 4.943 7.493 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.144 6.246 7.993 1.00 0.00 C ATOM 908 CD2 PHE A 64 -3.222 3.853 8.374 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.033 6.460 9.373 1.00 0.00 C ATOM 910 CE2 PHE A 64 -3.111 4.068 9.753 1.00 0.00 C ATOM 911 CZ PHE A 64 -3.017 5.372 10.252 1.00 0.00 C ATOM 0 H PHE A 64 -2.059 6.829 4.832 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.277 4.173 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.028 5.449 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.805 3.729 5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.158 7.087 7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.296 2.847 7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.960 7.466 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.098 3.228 10.431 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.932 5.538 11.316 1.00 0.00 H new ATOM 921 N THR A 65 -1.495 3.065 3.689 1.00 0.00 N ATOM 922 CA THR A 65 -1.523 2.451 2.355 1.00 0.00 C ATOM 923 C THR A 65 -2.037 1.017 2.414 1.00 0.00 C ATOM 924 O THR A 65 -1.688 0.256 3.326 1.00 0.00 O ATOM 925 CB THR A 65 -0.119 2.464 1.732 1.00 0.00 C ATOM 926 OG1 THR A 65 0.781 1.761 2.577 1.00 0.00 O ATOM 927 CG2 THR A 65 0.358 3.906 1.553 1.00 0.00 C ATOM 0 H THR A 65 -1.023 2.508 4.402 1.00 0.00 H new ATOM 0 HA THR A 65 -2.203 3.038 1.737 1.00 0.00 H new ATOM 0 HB THR A 65 -0.154 1.979 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.509 1.874 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.354 3.907 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.331 4.438 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.391 4.401 2.523 1.00 0.00 H new ATOM 935 N CYS A 66 -2.820 0.642 1.396 1.00 0.00 N ATOM 936 CA CYS A 66 -3.345 -0.716 1.274 1.00 0.00 C ATOM 937 C CYS A 66 -3.180 -1.215 -0.161 1.00 0.00 C ATOM 938 O CYS A 66 -3.466 -0.484 -1.114 1.00 0.00 O ATOM 939 CB CYS A 66 -4.822 -0.759 1.693 1.00 0.00 C ATOM 940 SG CYS A 66 -4.961 -0.348 3.460 1.00 0.00 S ATOM 0 H CYS A 66 -3.104 1.267 0.642 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.782 -1.371 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.401 -0.053 1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.236 -1.750 1.505 1.00 0.00 H new ATOM 945 N THR A 67 -2.698 -2.454 -0.307 1.00 0.00 N ATOM 946 CA THR A 67 -2.473 -3.045 -1.634 1.00 0.00 C ATOM 947 C THR A 67 -3.155 -4.416 -1.734 1.00 0.00 C ATOM 948 O THR A 67 -3.019 -5.253 -0.836 1.00 0.00 O ATOM 949 CB THR A 67 -0.959 -3.172 -1.894 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.354 -1.892 -1.751 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.700 -3.687 -3.320 1.00 0.00 C ATOM 0 H THR A 67 -2.457 -3.066 0.473 1.00 0.00 H new ATOM 0 HA THR A 67 -2.909 -2.395 -2.392 1.00 0.00 H new ATOM 0 HB THR A 67 -0.536 -3.876 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.610 -1.966 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.374 -3.771 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.164 -4.666 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.126 -2.990 -4.042 1.00 0.00 H new ATOM 959 N ILE A 68 -3.906 -4.625 -2.826 1.00 0.00 N ATOM 960 CA ILE A 68 -4.633 -5.887 -3.037 1.00 0.00 C ATOM 961 C ILE A 68 -4.238 -6.519 -4.387 1.00 0.00 C ATOM 962 O ILE A 68 -4.402 -5.895 -5.439 1.00 0.00 O ATOM 963 CB ILE A 68 -6.168 -5.621 -3.011 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.559 -4.975 -1.664 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.933 -6.957 -3.168 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.985 -4.405 -1.743 1.00 0.00 C ATOM 0 H ILE A 68 -4.026 -3.941 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.370 -6.579 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.426 -4.951 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.499 -5.715 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.855 -4.181 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.006 -6.766 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.664 -7.421 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.669 -7.626 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.249 -3.952 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.032 -3.650 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.686 -5.208 -1.970 1.00 0.00 H new ATOM 978 N TRP A 69 -3.783 -7.784 -4.346 1.00 0.00 N ATOM 979 CA TRP A 69 -3.446 -8.519 -5.576 1.00 0.00 C ATOM 980 C TRP A 69 -3.531 -10.035 -5.343 1.00 0.00 C ATOM 981 O TRP A 69 -3.449 -10.496 -4.197 1.00 0.00 O ATOM 982 CB TRP A 69 -2.037 -8.111 -6.097 1.00 0.00 C ATOM 983 CG TRP A 69 -0.949 -8.637 -5.197 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.201 -9.735 -5.451 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.503 -8.127 -3.917 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.689 -9.919 -4.412 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.540 -8.955 -3.439 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.895 -7.035 -3.131 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.171 -8.708 -2.228 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.259 -6.781 -1.904 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.773 -7.621 -1.456 1.00 0.00 C ATOM 0 H TRP A 69 -3.642 -8.313 -3.485 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.175 -8.254 -6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.895 -8.496 -7.107 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.969 -7.025 -6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.286 -10.365 -6.324 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.372 -10.675 -4.370 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.689 -6.386 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.966 -9.355 -1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.565 -5.937 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.258 -7.423 -0.512 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.655 -10.798 -6.434 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.705 -12.254 -6.336 1.00 0.00 C ATOM 1004 C ARG A 70 -2.258 -12.849 -6.299 1.00 0.00 C ATOM 1005 O ARG A 70 -1.319 -12.203 -6.773 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.539 -12.855 -7.498 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.811 -12.671 -8.826 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.598 -13.347 -9.944 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.881 -12.654 -10.168 1.00 0.00 N ATOM 1010 CZ ARG A 70 -6.003 -11.548 -10.950 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.954 -11.010 -11.543 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -7.182 -11.020 -11.130 1.00 0.00 N ATOM 0 H ARG A 70 -3.722 -10.433 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.201 -12.524 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.716 -13.915 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.515 -12.372 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.693 -11.609 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.810 -13.097 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.011 -13.343 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.782 -14.390 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.717 -13.022 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.030 -11.424 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.067 -10.180 -12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.001 -11.437 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.285 -10.190 -11.714 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.062 -14.053 -5.734 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.700 -14.694 -5.637 1.00 0.00 C ATOM 1028 C PRO A 71 -0.190 -15.270 -6.971 1.00 0.00 C ATOM 1029 O PRO A 71 1.001 -15.178 -7.282 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.931 -15.821 -4.642 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.353 -16.210 -4.862 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.100 -14.927 -5.131 1.00 0.00 C ATOM 0 HA PRO A 71 0.060 -13.969 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.256 -16.657 -4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.762 -15.490 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.443 -16.897 -5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.757 -16.721 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.939 -15.084 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.506 -14.498 -4.215 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.095 -15.904 -7.720 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.747 -16.556 -8.993 1.00 0.00 C ATOM 1042 C GLN A 72 -0.261 -15.551 -10.028 1.00 0.00 C ATOM 1043 O GLN A 72 0.655 -15.832 -10.806 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.964 -17.310 -9.535 1.00 0.00 C ATOM 1045 CG GLN A 72 -2.246 -18.532 -8.654 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.474 -19.279 -9.168 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -3.662 -19.410 -10.379 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -4.322 -19.782 -8.315 1.00 0.00 N ATOM 0 H GLN A 72 -2.080 -15.982 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 72 0.067 -17.254 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.834 -16.653 -9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.782 -17.624 -10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.381 -19.196 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.408 -18.217 -7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.164 -19.672 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.144 -20.286 -8.649 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.907 -14.402 -10.045 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.601 -13.333 -10.998 1.00 0.00 C ATOM 1059 C GLY A 73 -1.608 -13.309 -12.162 1.00 0.00 C ATOM 1060 O GLY A 73 -1.771 -12.276 -12.822 1.00 0.00 O ATOM 0 H GLY A 73 -1.663 -14.175 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.614 -12.372 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.407 -13.471 -11.390 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.306 -14.440 -12.386 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.320 -14.523 -13.442 1.00 0.00 C ATOM 1066 C LYS A 74 -4.526 -15.342 -12.991 1.00 0.00 C ATOM 1067 O LYS A 74 -4.399 -16.527 -12.670 1.00 0.00 O ATOM 1068 CB LYS A 74 -2.731 -15.125 -14.733 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.033 -16.475 -14.449 1.00 0.00 C ATOM 1070 CD LYS A 74 -1.323 -16.973 -15.721 1.00 0.00 C ATOM 1071 CE LYS A 74 -2.358 -17.488 -16.734 1.00 0.00 C ATOM 1072 NZ LYS A 74 -1.656 -17.995 -17.949 1.00 0.00 N ATOM 0 H LYS A 74 -2.184 -15.300 -11.851 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.651 -13.506 -13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.525 -15.270 -15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.017 -14.428 -15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.311 -16.359 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.766 -17.211 -14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.741 -16.164 -16.163 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.622 -17.769 -15.468 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.955 -18.283 -16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.046 -16.687 -17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.356 -18.343 -18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.105 -17.225 -18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.017 -18.771 -17.682 1.00 0.00 H new ATOM 1086 N SER A 75 -5.704 -14.707 -13.007 1.00 0.00 N ATOM 1087 CA SER A 75 -6.957 -15.375 -12.642 1.00 0.00 C ATOM 1088 C SER A 75 -7.927 -15.375 -13.815 1.00 0.00 C ATOM 1089 O SER A 75 -8.087 -14.353 -14.491 1.00 0.00 O ATOM 1090 CB SER A 75 -7.601 -14.686 -11.441 1.00 0.00 C ATOM 1091 OG SER A 75 -8.863 -15.287 -11.175 1.00 0.00 O ATOM 0 H SER A 75 -5.815 -13.728 -13.270 1.00 0.00 H new ATOM 0 HA SER A 75 -6.725 -16.406 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.954 -14.771 -10.568 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.727 -13.622 -11.642 1.00 0.00 H new ATOM 0 HG SER A 75 -9.278 -14.848 -10.403 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.585 -16.519 -14.048 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.566 -16.630 -15.154 1.00 0.00 C ATOM 1099 C TYR A 76 -11.002 -16.711 -14.625 1.00 0.00 C ATOM 1100 O TYR A 76 -11.579 -17.793 -14.496 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.266 -17.847 -16.108 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.512 -18.972 -15.392 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -9.193 -19.844 -14.536 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -7.134 -19.123 -15.594 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -8.495 -20.869 -13.880 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -6.437 -20.145 -14.941 1.00 0.00 C ATOM 1107 CZ TYR A 76 -7.116 -21.018 -14.083 1.00 0.00 C ATOM 1108 OH TYR A 76 -6.427 -22.029 -13.435 1.00 0.00 O ATOM 0 H TYR A 76 -8.464 -17.371 -13.500 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.463 -15.719 -15.743 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.204 -18.236 -16.504 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.679 -17.503 -16.959 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.255 -19.728 -14.380 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.609 -18.449 -16.255 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.020 -21.543 -13.219 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.375 -20.261 -15.099 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.480 -21.993 -13.686 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.582 -15.534 -14.394 1.00 0.00 N ATOM 1119 CA LEU A 77 -12.973 -15.392 -13.962 1.00 0.00 C ATOM 1120 C LEU A 77 -13.598 -14.176 -14.641 1.00 0.00 C ATOM 1121 O LEU A 77 -12.892 -13.200 -14.927 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.063 -15.261 -12.430 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.834 -16.632 -11.764 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.581 -16.436 -10.269 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.083 -17.506 -11.944 1.00 0.00 C ATOM 0 H LEU A 77 -11.096 -14.644 -14.502 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.523 -16.287 -14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.320 -14.547 -12.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.041 -14.870 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.974 -17.116 -12.227 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.419 -17.405 -9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.699 -15.812 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.445 -15.951 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.920 -18.475 -11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.939 -17.017 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.278 -17.648 -13.007 1.00 0.00 H new ATOM 1137 N TYR A 78 -14.919 -14.213 -14.871 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.607 -13.080 -15.486 1.00 0.00 C ATOM 1139 C TYR A 78 -16.016 -12.096 -14.404 1.00 0.00 C ATOM 1140 O TYR A 78 -17.051 -12.265 -13.761 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.841 -13.558 -16.262 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.390 -12.421 -17.097 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.849 -12.155 -18.361 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.437 -11.630 -16.603 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.354 -11.102 -19.131 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -18.943 -10.577 -17.376 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.400 -10.313 -18.639 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.897 -9.275 -19.399 1.00 0.00 O ATOM 0 H TYR A 78 -15.520 -15.005 -14.643 1.00 0.00 H new ATOM 0 HA TYR A 78 -14.933 -12.589 -16.188 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.576 -14.398 -16.904 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.603 -13.914 -15.569 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.042 -12.763 -18.741 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.853 -11.832 -15.627 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.936 -10.898 -20.106 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.752 -9.969 -16.998 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.621 -8.829 -18.911 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.171 -11.087 -14.186 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.409 -10.097 -13.140 1.00 0.00 C ATOM 1160 C PHE A 79 -16.383 -9.031 -13.607 1.00 0.00 C ATOM 1161 O PHE A 79 -16.263 -8.519 -14.721 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.091 -9.438 -12.728 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.200 -10.453 -12.049 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.262 -11.173 -12.800 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.310 -10.671 -10.672 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.434 -12.109 -12.170 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.481 -11.609 -10.042 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.543 -12.328 -10.793 1.00 0.00 C ATOM 0 H PHE A 79 -14.316 -10.936 -14.721 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.843 -10.613 -12.284 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.589 -9.029 -13.605 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.286 -8.604 -12.054 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.178 -11.006 -13.864 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.034 -10.116 -10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.710 -12.663 -12.748 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.565 -11.777 -8.979 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.904 -13.052 -10.309 1.00 0.00 H new ATOM 1178 N THR A 80 -17.338 -8.679 -12.738 1.00 0.00 N ATOM 1179 CA THR A 80 -18.304 -7.635 -13.062 1.00 0.00 C ATOM 1180 C THR A 80 -17.623 -6.265 -12.992 1.00 0.00 C ATOM 1181 O THR A 80 -17.807 -5.428 -13.872 1.00 0.00 O ATOM 1182 CB THR A 80 -19.502 -7.702 -12.093 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.092 -8.992 -12.174 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.556 -6.647 -12.472 1.00 0.00 C ATOM 0 H THR A 80 -17.458 -9.099 -11.816 1.00 0.00 H new ATOM 0 HA THR A 80 -18.677 -7.788 -14.075 1.00 0.00 H new ATOM 0 HB THR A 80 -19.150 -7.508 -11.080 1.00 0.00 H new ATOM 0 HG1 THR A 80 -20.854 -9.043 -11.559 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.396 -6.706 -11.779 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.111 -5.653 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 80 -20.909 -6.833 -13.486 1.00 0.00 H new ATOM 1192 N GLN A 81 -16.805 -6.065 -11.942 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.050 -4.806 -11.749 1.00 0.00 C ATOM 1194 C GLN A 81 -15.308 -4.821 -10.417 1.00 0.00 C ATOM 1195 O GLN A 81 -15.653 -5.594 -9.516 1.00 0.00 O ATOM 1196 CB GLN A 81 -16.976 -3.565 -11.814 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.115 -3.701 -10.791 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.085 -2.533 -10.927 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -18.709 -1.386 -10.699 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -20.318 -2.759 -11.289 1.00 0.00 N ATOM 0 H GLN A 81 -16.648 -6.759 -11.211 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.329 -4.737 -12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.401 -2.662 -11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.389 -3.462 -12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.643 -4.642 -10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.706 -3.728 -9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.628 -3.712 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.972 -1.982 -11.383 1.00 0.00 H new ATOM 1209 N PHE A 82 -14.302 -3.944 -10.287 1.00 0.00 N ATOM 1210 CA PHE A 82 -13.526 -3.843 -9.038 1.00 0.00 C ATOM 1211 C PHE A 82 -13.631 -2.440 -8.459 1.00 0.00 C ATOM 1212 O PHE A 82 -13.580 -1.454 -9.202 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.057 -4.135 -9.287 1.00 0.00 C ATOM 1214 CG PHE A 82 -11.865 -5.533 -9.830 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.794 -5.740 -11.210 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -11.741 -6.615 -8.952 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -11.599 -7.030 -11.714 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.548 -7.905 -9.455 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.475 -8.113 -10.837 1.00 0.00 C ATOM 0 H PHE A 82 -14.007 -3.300 -11.021 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.937 -4.574 -8.341 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -11.653 -3.409 -9.992 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.498 -4.022 -8.358 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.890 -4.904 -11.887 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.794 -6.454 -7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.544 -7.190 -12.781 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.455 -8.741 -8.777 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.323 -9.109 -11.226 1.00 0.00 H new ATOM 1229 N LYS A 83 -13.778 -2.350 -7.129 1.00 0.00 N ATOM 1230 CA LYS A 83 -13.887 -1.048 -6.462 1.00 0.00 C ATOM 1231 C LYS A 83 -13.136 -1.034 -5.135 1.00 0.00 C ATOM 1232 O LYS A 83 -13.075 -2.050 -4.441 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.354 -0.697 -6.245 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.051 -0.637 -7.614 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.529 -0.216 -7.448 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.415 -1.466 -7.358 1.00 0.00 C ATOM 1237 NZ LYS A 83 -18.076 -2.230 -6.125 1.00 0.00 N ATOM 0 H LYS A 83 -13.824 -3.153 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.429 -0.298 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.832 -1.443 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.442 0.261 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.535 0.072 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.996 -1.611 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.646 0.390 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.838 0.401 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.466 -1.179 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.269 -2.092 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.872 -2.849 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.229 -2.808 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.890 -1.567 -5.346 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.580 0.134 -4.780 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.840 0.290 -3.524 1.00 0.00 C ATOM 1253 C ALA A 84 -12.074 1.674 -2.926 1.00 0.00 C ATOM 1254 O ALA A 84 -12.201 2.655 -3.655 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.342 0.079 -3.765 1.00 0.00 C ATOM 0 H ALA A 84 -12.630 0.981 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.202 -0.460 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.802 0.197 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.174 -0.924 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.982 0.814 -4.485 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.121 1.744 -1.591 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.334 3.013 -0.893 1.00 0.00 C ATOM 1263 C GLU A 85 -11.765 2.952 0.527 1.00 0.00 C ATOM 1264 O GLU A 85 -11.337 1.890 0.972 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.835 3.371 -0.883 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.636 2.299 -0.126 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.131 2.604 -0.202 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.493 3.756 -0.020 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.890 1.680 -0.442 1.00 0.00 O ATOM 0 H GLU A 85 -12.014 0.938 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.802 3.801 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.980 4.343 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.202 3.454 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.436 1.316 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.317 2.265 0.916 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.731 4.101 1.218 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.176 4.164 2.584 1.00 0.00 C ATOM 1278 C VAL A 86 -12.151 4.812 3.559 1.00 0.00 C ATOM 1279 O VAL A 86 -13.069 5.527 3.150 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.840 4.933 2.603 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.814 4.210 1.728 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -10.042 6.368 2.075 1.00 0.00 C ATOM 0 H VAL A 86 -12.076 4.992 0.861 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.002 3.136 2.903 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.478 4.978 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.872 4.757 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.655 3.202 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.184 4.155 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.091 6.900 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.416 6.330 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.762 6.890 2.706 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.921 4.573 4.856 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.759 5.152 5.908 1.00 0.00 C ATOM 1294 C ARG A 87 -11.908 5.932 6.901 1.00 0.00 C ATOM 1295 O ARG A 87 -10.871 5.442 7.364 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.527 4.051 6.657 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.428 3.257 5.691 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.622 4.110 5.244 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.498 4.416 6.394 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.548 5.278 6.320 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.850 5.894 5.192 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -18.265 5.505 7.386 1.00 0.00 N ATOM 0 H ARG A 87 -11.163 3.984 5.200 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.471 5.828 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.822 3.376 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.135 4.497 7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.851 2.944 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.784 2.350 6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.266 5.037 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.189 3.580 4.478 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.306 3.959 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.292 5.727 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.641 6.537 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.036 5.038 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -19.054 6.149 7.342 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.367 7.140 7.237 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.664 7.995 8.199 1.00 0.00 C ATOM 1318 C GLY A 88 -10.381 8.605 7.607 1.00 0.00 C ATOM 1319 O GLY A 88 -9.544 9.119 8.350 1.00 0.00 O ATOM 0 H GLY A 88 -13.221 7.549 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.328 8.796 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.412 7.411 9.084 1.00 0.00 H new ATOM 1323 N ALA A 89 -10.229 8.532 6.272 1.00 0.00 N ATOM 1324 CA ALA A 89 -9.033 9.062 5.604 1.00 0.00 C ATOM 1325 C ALA A 89 -9.348 9.554 4.193 1.00 0.00 C ATOM 1326 O ALA A 89 -10.350 9.154 3.592 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.946 7.987 5.542 1.00 0.00 C ATOM 0 H ALA A 89 -10.914 8.115 5.642 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.678 9.911 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.064 8.390 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.683 7.677 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.316 7.127 4.984 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.464 10.410 3.665 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.615 10.955 2.310 1.00 0.00 C ATOM 1335 C GLU A 90 -7.648 10.280 1.355 1.00 0.00 C ATOM 1336 O GLU A 90 -6.669 9.660 1.778 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.400 12.484 2.300 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.006 12.835 2.856 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.793 14.349 2.839 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.160 14.973 1.853 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.265 14.863 3.812 1.00 0.00 O ATOM 0 H GLU A 90 -7.634 10.741 4.157 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.633 10.753 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.499 12.865 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.170 12.970 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.908 12.459 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.236 12.346 2.260 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.986 10.336 0.078 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.220 9.651 -0.963 1.00 0.00 C ATOM 1350 C ILE A 91 -6.090 10.528 -1.498 1.00 0.00 C ATOM 1351 O ILE A 91 -6.334 11.584 -2.093 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.176 9.239 -2.121 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.384 8.395 -1.569 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.413 8.449 -3.216 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -8.926 7.055 -0.940 1.00 0.00 C ATOM 0 H ILE A 91 -8.793 10.853 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.765 8.762 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.570 10.149 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.922 8.979 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.084 8.193 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.103 8.173 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.616 9.071 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.982 7.547 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.795 6.509 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.412 6.457 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.248 7.255 -0.111 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.861 10.032 -1.348 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.681 10.707 -1.881 1.00 0.00 C ATOM 1369 C GLU A 92 -3.501 10.338 -3.345 1.00 0.00 C ATOM 1370 O GLU A 92 -3.246 11.203 -4.188 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.432 10.281 -1.109 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.553 10.690 0.357 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.317 10.235 1.129 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.222 10.508 0.668 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.486 9.620 2.169 1.00 0.00 O ATOM 0 H GLU A 92 -4.658 9.160 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.820 11.783 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.300 9.202 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.548 10.741 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.662 11.772 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.448 10.248 0.794 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.649 9.036 -3.636 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.524 8.529 -4.997 1.00 0.00 C ATOM 1384 C TYR A 93 -3.939 7.063 -5.057 1.00 0.00 C ATOM 1385 O TYR A 93 -3.408 6.226 -4.320 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.078 8.679 -5.480 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.020 8.611 -6.993 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.191 9.780 -7.752 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -1.797 7.388 -7.637 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.139 9.726 -9.146 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.745 7.336 -9.036 1.00 0.00 C ATOM 1392 CZ TYR A 93 -1.916 8.505 -9.791 1.00 0.00 C ATOM 1393 OH TYR A 93 -1.865 8.451 -11.169 1.00 0.00 O ATOM 0 H TYR A 93 -3.856 8.320 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.181 9.107 -5.646 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.669 9.629 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.460 7.891 -5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.363 10.724 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.665 6.487 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.271 10.627 -9.727 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.573 6.393 -9.534 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.701 7.528 -11.454 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.874 6.763 -5.952 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.363 5.399 -6.146 1.00 0.00 C ATOM 1405 C ALA A 94 -5.179 4.979 -7.599 1.00 0.00 C ATOM 1406 O ALA A 94 -5.459 5.758 -8.518 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.842 5.314 -5.761 1.00 0.00 C ATOM 0 H ALA A 94 -5.313 7.453 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.791 4.725 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.198 4.295 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.962 5.592 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.420 5.994 -6.386 1.00 0.00 H new ATOM 1413 N MET A 95 -4.685 3.755 -7.799 1.00 0.00 N ATOM 1414 CA MET A 95 -4.429 3.232 -9.146 1.00 0.00 C ATOM 1415 C MET A 95 -4.394 1.702 -9.154 1.00 0.00 C ATOM 1416 O MET A 95 -4.375 1.066 -8.095 1.00 0.00 O ATOM 1417 CB MET A 95 -3.117 3.816 -9.715 1.00 0.00 C ATOM 1418 CG MET A 95 -1.938 3.448 -8.805 1.00 0.00 C ATOM 1419 SD MET A 95 -0.410 4.180 -9.448 1.00 0.00 S ATOM 1420 CE MET A 95 0.648 3.788 -8.029 1.00 0.00 C ATOM 0 H MET A 95 -4.454 3.106 -7.046 1.00 0.00 H new ATOM 0 HA MET A 95 -5.252 3.545 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.944 3.431 -10.720 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.198 4.900 -9.798 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.124 3.805 -7.792 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.836 2.364 -8.748 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.672 4.092 -8.244 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.288 4.321 -7.149 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.621 2.715 -7.840 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.410 1.123 -10.358 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.405 -0.332 -10.525 1.00 0.00 C ATOM 1432 C ALA A 96 -3.422 -0.739 -11.616 1.00 0.00 C ATOM 1433 O ALA A 96 -3.146 0.041 -12.526 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.818 -0.821 -10.889 1.00 0.00 C ATOM 0 H ALA A 96 -4.427 1.643 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.095 -0.790 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.808 -1.904 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.512 -0.553 -10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.136 -0.353 -11.821 1.00 0.00 H new ATOM 1440 N TYR A 97 -2.893 -1.965 -11.513 1.00 0.00 N ATOM 1441 CA TYR A 97 -1.943 -2.475 -12.510 1.00 0.00 C ATOM 1442 C TYR A 97 -2.483 -3.720 -13.202 1.00 0.00 C ATOM 1443 O TYR A 97 -2.510 -4.804 -12.609 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.608 -2.798 -11.848 1.00 0.00 C ATOM 1445 CG TYR A 97 0.021 -1.531 -11.319 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.154 -1.166 -9.979 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.778 -0.721 -12.170 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.433 0.007 -9.492 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.362 0.451 -11.683 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.191 0.815 -10.346 1.00 0.00 C ATOM 1451 OH TYR A 97 1.774 1.968 -9.868 1.00 0.00 O ATOM 0 H TYR A 97 -3.104 -2.617 -10.757 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.800 -1.698 -13.261 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.758 -3.508 -11.034 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.059 -3.273 -12.567 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.742 -1.789 -9.321 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.912 -1.001 -13.204 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.301 0.288 -8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.947 1.076 -12.342 1.00 0.00 H new ATOM 0 HH TYR A 97 2.265 2.410 -10.591 1.00 0.00 H new ATOM 1461 N SER A 98 -2.865 -3.571 -14.480 1.00 0.00 N ATOM 1462 CA SER A 98 -3.349 -4.707 -15.273 1.00 0.00 C ATOM 1463 C SER A 98 -2.249 -5.741 -15.437 1.00 0.00 C ATOM 1464 O SER A 98 -2.498 -6.949 -15.358 1.00 0.00 O ATOM 1465 CB SER A 98 -3.816 -4.245 -16.651 1.00 0.00 C ATOM 1466 OG SER A 98 -4.977 -3.446 -16.514 1.00 0.00 O ATOM 0 H SER A 98 -2.848 -2.683 -14.981 1.00 0.00 H new ATOM 0 HA SER A 98 -4.191 -5.153 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.026 -3.676 -17.142 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.028 -5.108 -17.283 1.00 0.00 H new ATOM 0 HG SER A 98 -5.774 -4.003 -16.638 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.029 -5.250 -15.666 1.00 0.00 N ATOM 1473 CA LYS A 99 0.131 -6.113 -15.843 1.00 0.00 C ATOM 1474 C LYS A 99 1.318 -5.579 -15.056 1.00 0.00 C ATOM 1475 O LYS A 99 1.695 -4.411 -15.199 1.00 0.00 O ATOM 1476 CB LYS A 99 0.500 -6.204 -17.330 1.00 0.00 C ATOM 1477 CG LYS A 99 1.539 -7.322 -17.547 1.00 0.00 C ATOM 1478 CD LYS A 99 0.835 -8.697 -17.598 1.00 0.00 C ATOM 1479 CE LYS A 99 0.201 -8.930 -18.987 1.00 0.00 C ATOM 1480 NZ LYS A 99 -1.199 -8.411 -18.996 1.00 0.00 N ATOM 0 H LYS A 99 -0.823 -4.253 -15.733 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.121 -7.107 -15.472 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.392 -6.405 -17.923 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.902 -5.251 -17.673 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.083 -7.148 -18.475 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.272 -7.310 -16.741 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.553 -9.488 -17.383 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.065 -8.747 -16.828 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.790 -8.428 -19.755 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.206 -9.994 -19.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.837 -9.141 -19.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.485 -8.167 -18.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.251 -7.563 -19.596 1.00 0.00 H new ATOM 1494 N ALA A 100 1.914 -6.449 -14.242 1.00 0.00 N ATOM 1495 CA ALA A 100 3.080 -6.082 -13.446 1.00 0.00 C ATOM 1496 C ALA A 100 4.346 -6.215 -14.280 1.00 0.00 C ATOM 1497 O ALA A 100 4.494 -7.177 -15.043 1.00 0.00 O ATOM 1498 CB ALA A 100 3.176 -6.972 -12.205 1.00 0.00 C ATOM 0 H ALA A 100 1.607 -7.414 -14.118 1.00 0.00 H new ATOM 0 HA ALA A 100 2.973 -5.045 -13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.051 -6.687 -11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.278 -6.849 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.268 -8.014 -12.511 1.00 0.00 H new ATOM 1599 N ASP A 107 5.308 -2.500 -17.121 1.00 0.00 N ATOM 1600 CA ASP A 107 4.188 -2.314 -16.188 1.00 0.00 C ATOM 1601 C ASP A 107 3.076 -1.486 -16.840 1.00 0.00 C ATOM 1602 O ASP A 107 3.283 -0.311 -17.162 1.00 0.00 O ATOM 1603 CB ASP A 107 4.677 -1.605 -14.921 1.00 0.00 C ATOM 1604 CG ASP A 107 3.531 -1.431 -13.932 1.00 0.00 C ATOM 1605 OD1 ASP A 107 3.101 -2.424 -13.370 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.099 -0.306 -13.759 1.00 0.00 O ATOM 0 HA ASP A 107 3.790 -3.295 -15.927 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.479 -2.182 -14.460 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.093 -0.631 -15.179 1.00 0.00 H new ATOM 1611 N VAL A 108 1.899 -2.104 -17.037 1.00 0.00 N ATOM 1612 CA VAL A 108 0.763 -1.406 -17.664 1.00 0.00 C ATOM 1613 C VAL A 108 -0.312 -1.032 -16.587 1.00 0.00 C ATOM 1614 O VAL A 108 -1.034 -1.915 -16.116 1.00 0.00 O ATOM 1615 CB VAL A 108 0.127 -2.310 -18.756 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -1.039 -1.577 -19.446 1.00 0.00 C ATOM 1617 CG2 VAL A 108 1.184 -2.666 -19.814 1.00 0.00 C ATOM 0 H VAL A 108 1.710 -3.072 -16.776 1.00 0.00 H new ATOM 0 HA VAL A 108 1.128 -0.488 -18.125 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.246 -3.217 -18.280 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.474 -2.223 -20.208 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.799 -1.325 -18.706 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.670 -0.664 -19.912 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.735 -3.300 -20.578 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.559 -1.752 -20.275 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.009 -3.198 -19.340 1.00 0.00 H new ATOM 1627 N PRO A 109 -0.456 0.269 -16.213 1.00 0.00 N ATOM 1628 CA PRO A 109 -1.484 0.713 -15.222 1.00 0.00 C ATOM 1629 C PRO A 109 -2.844 1.020 -15.867 1.00 0.00 C ATOM 1630 O PRO A 109 -2.909 1.471 -17.013 1.00 0.00 O ATOM 1631 CB PRO A 109 -0.866 1.981 -14.656 1.00 0.00 C ATOM 1632 CG PRO A 109 -0.175 2.601 -15.826 1.00 0.00 C ATOM 1633 CD PRO A 109 0.345 1.440 -16.685 1.00 0.00 C ATOM 0 HA PRO A 109 -1.702 -0.056 -14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.625 2.645 -14.243 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.166 1.759 -13.851 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.861 3.228 -16.395 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.645 3.240 -15.499 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.193 1.628 -17.748 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.413 1.280 -16.539 1.00 0.00 H new ATOM 1641 N LEU A 110 -3.919 0.836 -15.088 1.00 0.00 N ATOM 1642 CA LEU A 110 -5.281 1.165 -15.540 1.00 0.00 C ATOM 1643 C LEU A 110 -5.608 2.628 -15.255 1.00 0.00 C ATOM 1644 O LEU A 110 -5.066 3.220 -14.315 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.323 0.264 -14.856 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.212 -1.179 -15.379 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.061 -2.113 -14.497 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -6.728 -1.250 -16.835 1.00 0.00 C ATOM 0 H LEU A 110 -3.873 0.461 -14.141 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.319 0.994 -16.616 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.173 0.279 -13.776 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.325 0.649 -15.044 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.168 -1.490 -15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.982 -3.135 -14.868 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.700 -2.071 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.103 -1.795 -14.528 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.647 -2.274 -17.200 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.771 -0.935 -16.867 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.130 -0.592 -17.465 1.00 0.00 H new ATOM 1660 N LYS A 111 -6.489 3.209 -16.079 1.00 0.00 N ATOM 1661 CA LYS A 111 -6.885 4.613 -15.927 1.00 0.00 C ATOM 1662 C LYS A 111 -7.906 4.788 -14.798 1.00 0.00 C ATOM 1663 O LYS A 111 -8.749 3.919 -14.564 1.00 0.00 O ATOM 1664 CB LYS A 111 -7.471 5.157 -17.249 1.00 0.00 C ATOM 1665 CG LYS A 111 -8.696 4.301 -17.711 1.00 0.00 C ATOM 1666 CD LYS A 111 -8.302 3.370 -18.881 1.00 0.00 C ATOM 1667 CE LYS A 111 -8.262 4.166 -20.194 1.00 0.00 C ATOM 1668 NZ LYS A 111 -9.653 4.389 -20.681 1.00 0.00 N ATOM 0 H LYS A 111 -6.940 2.728 -16.857 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.990 5.180 -15.670 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.777 6.195 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.703 5.148 -18.023 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.066 3.707 -16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.509 4.958 -18.020 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.327 2.922 -18.688 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.018 2.552 -18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.762 5.122 -20.037 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.685 3.624 -20.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.628 4.694 -21.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.194 3.504 -20.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.109 5.125 -20.104 1.00 0.00 H new ATOM 1682 N THR A 112 -7.833 5.940 -14.131 1.00 0.00 N ATOM 1683 CA THR A 112 -8.757 6.287 -13.045 1.00 0.00 C ATOM 1684 C THR A 112 -10.191 6.427 -13.587 1.00 0.00 C ATOM 1685 O THR A 112 -11.162 6.073 -12.911 1.00 0.00 O ATOM 1686 CB THR A 112 -8.301 7.602 -12.370 1.00 0.00 C ATOM 1687 OG1 THR A 112 -6.980 7.434 -11.876 1.00 0.00 O ATOM 1688 CG2 THR A 112 -9.230 7.949 -11.194 1.00 0.00 C ATOM 0 H THR A 112 -7.135 6.658 -14.325 1.00 0.00 H new ATOM 0 HA THR A 112 -8.749 5.489 -12.302 1.00 0.00 H new ATOM 0 HB THR A 112 -8.335 8.408 -13.103 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.683 8.264 -11.448 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.897 8.877 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.249 8.072 -11.560 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.203 7.144 -10.459 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.302 6.990 -14.792 1.00 0.00 N ATOM 1697 CA GLU A 113 -11.593 7.245 -15.431 1.00 0.00 C ATOM 1698 C GLU A 113 -12.456 5.971 -15.516 1.00 0.00 C ATOM 1699 O GLU A 113 -13.665 6.059 -15.713 1.00 0.00 O ATOM 1700 CB GLU A 113 -11.362 7.808 -16.836 1.00 0.00 C ATOM 1701 CG GLU A 113 -12.681 8.338 -17.408 1.00 0.00 C ATOM 1702 CD GLU A 113 -12.470 8.905 -18.815 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -11.452 9.547 -19.035 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -13.330 8.688 -19.653 1.00 0.00 O ATOM 0 H GLU A 113 -9.500 7.281 -15.351 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.133 7.968 -14.819 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.623 8.609 -16.800 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.959 7.032 -17.487 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.418 7.536 -17.440 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.082 9.113 -16.754 1.00 0.00 H new ATOM 1711 N GLU A 114 -11.824 4.797 -15.391 1.00 0.00 N ATOM 1712 CA GLU A 114 -12.542 3.522 -15.472 1.00 0.00 C ATOM 1713 C GLU A 114 -13.554 3.382 -14.320 1.00 0.00 C ATOM 1714 O GLU A 114 -14.602 2.749 -14.482 1.00 0.00 O ATOM 1715 CB GLU A 114 -11.560 2.352 -15.441 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.285 1.068 -15.857 1.00 0.00 C ATOM 1717 CD GLU A 114 -12.640 1.097 -17.370 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -12.177 1.993 -18.073 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -13.351 0.210 -17.800 1.00 0.00 O ATOM 0 H GLU A 114 -10.820 4.705 -15.234 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.087 3.507 -16.416 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.725 2.546 -16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.143 2.239 -14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.655 0.204 -15.644 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.195 0.952 -15.268 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.213 3.948 -13.148 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.084 3.866 -11.960 1.00 0.00 C ATOM 1728 C PHE A 115 -13.932 5.092 -11.047 1.00 0.00 C ATOM 1729 O PHE A 115 -12.954 5.836 -11.143 1.00 0.00 O ATOM 1730 CB PHE A 115 -13.812 2.568 -11.172 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.367 2.532 -10.696 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.023 3.086 -9.459 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.381 1.943 -11.498 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -10.693 3.054 -9.022 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.052 1.910 -11.060 1.00 0.00 C ATOM 1736 CZ PHE A 115 -9.708 2.465 -9.823 1.00 0.00 C ATOM 0 H PHE A 115 -12.346 4.464 -12.998 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.114 3.851 -12.317 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.485 2.506 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.016 1.702 -11.802 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -12.784 3.539 -8.840 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -11.646 1.515 -12.453 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.427 3.484 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.291 1.456 -11.678 1.00 0.00 H new ATOM 0 HZ PHE A 115 -8.682 2.439 -9.486 1.00 0.00 H new ATOM 1746 N GLU A 116 -14.929 5.294 -10.174 1.00 0.00 N ATOM 1747 CA GLU A 116 -14.947 6.432 -9.243 1.00 0.00 C ATOM 1748 C GLU A 116 -14.988 5.941 -7.782 1.00 0.00 C ATOM 1749 O GLU A 116 -15.853 5.143 -7.411 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.181 7.316 -9.541 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.227 8.532 -8.585 1.00 0.00 C ATOM 1752 CD GLU A 116 -15.014 9.461 -8.798 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.414 9.414 -9.868 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.705 10.207 -7.883 1.00 0.00 O ATOM 0 H GLU A 116 -15.739 4.679 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.037 7.016 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.146 7.661 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.091 6.727 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.148 9.091 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.244 8.184 -7.552 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.060 6.456 -6.964 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.000 6.103 -5.534 1.00 0.00 C ATOM 1763 C VAL A 117 -13.913 7.359 -4.654 1.00 0.00 C ATOM 1764 O VAL A 117 -13.284 8.350 -5.036 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.804 5.167 -5.259 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.982 3.869 -6.057 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.486 5.848 -5.677 1.00 0.00 C ATOM 0 H VAL A 117 -13.342 7.116 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.921 5.578 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.765 4.945 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.139 3.205 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.906 3.378 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.027 4.100 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.651 5.177 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.518 6.081 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.356 6.769 -5.108 1.00 0.00 H new ATOM 1777 N THR A 118 -14.520 7.288 -3.460 1.00 0.00 N ATOM 1778 CA THR A 118 -14.480 8.401 -2.501 1.00 0.00 C ATOM 1779 C THR A 118 -14.274 7.895 -1.087 1.00 0.00 C ATOM 1780 O THR A 118 -14.418 6.701 -0.811 1.00 0.00 O ATOM 1781 CB THR A 118 -15.755 9.267 -2.564 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.883 8.504 -2.178 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.954 9.809 -3.977 1.00 0.00 C ATOM 0 H THR A 118 -15.043 6.474 -3.136 1.00 0.00 H new ATOM 0 HA THR A 118 -13.633 9.026 -2.784 1.00 0.00 H new ATOM 0 HB THR A 118 -15.642 10.105 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.075 7.833 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.857 10.419 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.095 10.418 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.053 8.978 -4.675 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.933 8.819 -0.201 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.692 8.510 1.205 1.00 0.00 C ATOM 1793 C LYS A 119 -14.921 7.901 1.898 1.00 0.00 C ATOM 1794 O LYS A 119 -14.795 7.340 2.992 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.235 9.777 1.950 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.334 10.853 1.899 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.854 12.104 2.636 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.972 13.149 2.667 1.00 0.00 C ATOM 1799 NZ LYS A 119 -15.290 13.583 1.275 1.00 0.00 N ATOM 0 H LYS A 119 -13.815 9.805 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.904 7.757 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.003 9.534 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.319 10.161 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.572 11.096 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.249 10.476 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.556 11.847 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.974 12.514 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.861 12.732 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.665 14.007 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.839 14.466 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.406 13.741 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.847 12.844 0.800 1.00 0.00 H new ATOM 1813 N THR A 120 -16.115 8.074 1.299 1.00 0.00 N ATOM 1814 CA THR A 120 -17.352 7.588 1.934 1.00 0.00 C ATOM 1815 C THR A 120 -18.362 6.979 0.940 1.00 0.00 C ATOM 1816 O THR A 120 -19.482 6.634 1.338 1.00 0.00 O ATOM 1817 CB THR A 120 -18.005 8.725 2.735 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.163 8.233 3.400 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.396 9.882 1.801 1.00 0.00 C ATOM 0 H THR A 120 -16.247 8.535 0.399 1.00 0.00 H new ATOM 0 HA THR A 120 -17.063 6.776 2.601 1.00 0.00 H new ATOM 0 HB THR A 120 -17.290 9.095 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.549 7.496 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.857 10.680 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.505 10.265 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.103 9.523 1.053 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.976 6.853 -0.342 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.882 6.289 -1.356 1.00 0.00 C ATOM 1829 C ALA A 121 -18.121 5.748 -2.563 1.00 0.00 C ATOM 1830 O ALA A 121 -16.971 6.116 -2.798 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.887 7.349 -1.809 1.00 0.00 C ATOM 0 H ALA A 121 -17.060 7.129 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.410 5.454 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.553 6.922 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.472 7.685 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.353 8.197 -2.238 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.783 4.876 -3.334 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.179 4.308 -4.546 1.00 0.00 C ATOM 1839 C VAL A 122 -19.164 4.284 -5.696 1.00 0.00 C ATOM 1840 O VAL A 122 -20.358 4.031 -5.500 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.649 2.883 -4.291 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.515 2.937 -3.278 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.776 1.978 -3.753 1.00 0.00 C ATOM 0 H VAL A 122 -19.730 4.550 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.343 4.953 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.284 2.470 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.140 1.930 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.709 3.560 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.882 3.360 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -18.385 0.976 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -19.156 2.388 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -19.584 1.930 -4.483 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.642 4.485 -6.904 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.447 4.420 -8.106 1.00 0.00 C ATOM 1855 C ALA A 123 -18.569 4.082 -9.296 1.00 0.00 C ATOM 1856 O ALA A 123 -17.393 4.448 -9.322 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.171 5.747 -8.342 1.00 0.00 C ATOM 0 H ALA A 123 -17.658 4.695 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.197 3.639 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.770 5.678 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.821 5.963 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.438 6.547 -8.451 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.137 3.372 -10.274 1.00 0.00 N ATOM 1864 CA HIS A 124 -18.392 2.979 -11.467 1.00 0.00 C ATOM 1865 C HIS A 124 -18.664 3.921 -12.635 1.00 0.00 C ATOM 1866 O HIS A 124 -19.787 4.396 -12.826 1.00 0.00 O ATOM 1867 CB HIS A 124 -18.708 1.521 -11.858 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.182 1.351 -12.147 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.125 1.238 -11.137 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -20.883 1.267 -13.325 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -22.330 1.093 -11.721 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -22.238 1.105 -13.054 1.00 0.00 N ATOM 0 H HIS A 124 -20.108 3.059 -10.261 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.331 3.049 -11.227 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -18.126 1.241 -12.736 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.411 0.851 -11.051 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -20.448 1.319 -14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -23.257 0.981 -11.178 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -22.998 1.015 -13.728 1.00 0.00 H new ATOM 1880 N ARG A 125 -17.623 4.157 -13.417 1.00 0.00 N ATOM 1881 CA ARG A 125 -17.692 5.006 -14.593 1.00 0.00 C ATOM 1882 C ARG A 125 -18.185 4.188 -15.803 1.00 0.00 C ATOM 1883 O ARG A 125 -18.079 2.956 -15.783 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.300 5.570 -14.888 1.00 0.00 C ATOM 1885 CG ARG A 125 -15.867 6.525 -13.762 1.00 0.00 C ATOM 1886 CD ARG A 125 -16.599 7.864 -13.906 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.067 8.845 -12.939 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.493 10.134 -12.875 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -17.424 10.590 -13.693 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -15.968 10.938 -11.992 1.00 0.00 N ATOM 0 H ARG A 125 -16.698 3.760 -13.251 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.389 5.823 -14.409 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.581 4.756 -14.981 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.308 6.099 -15.841 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.089 6.082 -12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -14.789 6.683 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.481 8.243 -14.921 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.667 7.722 -13.740 1.00 0.00 H new ATOM 0 HE ARG A 125 -15.344 8.540 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.838 9.971 -14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.729 11.561 -13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.245 10.597 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.280 11.907 -11.935 1.00 0.00 H new ATOM 1904 N PRO A 126 -18.711 4.831 -16.871 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.184 4.086 -18.078 1.00 0.00 C ATOM 1906 C PRO A 126 -18.012 3.437 -18.798 1.00 0.00 C ATOM 1907 O PRO A 126 -16.894 3.965 -18.777 1.00 0.00 O ATOM 1908 CB PRO A 126 -19.832 5.170 -18.948 1.00 0.00 C ATOM 1909 CG PRO A 126 -19.174 6.442 -18.532 1.00 0.00 C ATOM 1910 CD PRO A 126 -18.903 6.300 -17.038 1.00 0.00 C ATOM 0 HA PRO A 126 -19.874 3.278 -17.836 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.674 4.972 -20.008 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.909 5.212 -18.789 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -18.248 6.602 -19.084 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -19.817 7.299 -18.733 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.019 6.860 -16.733 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.736 6.669 -16.440 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.263 2.274 -19.401 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.207 1.527 -20.092 1.00 0.00 C ATOM 1920 C GLY A 127 -16.349 0.701 -19.109 1.00 0.00 C ATOM 1921 O GLY A 127 -15.269 0.226 -19.473 1.00 0.00 O ATOM 0 H GLY A 127 -19.181 1.830 -19.426 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.656 0.862 -20.830 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.568 2.222 -20.637 1.00 0.00 H new ATOM 1925 N ALA A 128 -16.838 0.537 -17.860 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.116 -0.220 -16.834 1.00 0.00 C ATOM 1927 C ALA A 128 -15.697 -1.590 -17.365 1.00 0.00 C ATOM 1928 O ALA A 128 -16.438 -2.224 -18.124 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.000 -0.398 -15.600 1.00 0.00 C ATOM 0 H ALA A 128 -17.729 0.921 -17.546 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.220 0.338 -16.564 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.457 -0.962 -14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.270 0.580 -15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -17.905 -0.940 -15.876 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.489 -2.025 -16.983 1.00 0.00 N ATOM 1936 CA PHE A 129 -13.949 -3.313 -17.445 1.00 0.00 C ATOM 1937 C PHE A 129 -14.588 -4.477 -16.713 1.00 0.00 C ATOM 1938 O PHE A 129 -14.946 -4.362 -15.536 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.435 -3.379 -17.256 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.722 -2.458 -18.239 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -10.951 -1.391 -17.762 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.826 -2.679 -19.626 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.289 -0.547 -18.662 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.164 -1.833 -20.521 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.395 -0.767 -20.040 1.00 0.00 C ATOM 0 H PHE A 129 -13.869 -1.508 -16.359 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.183 -3.388 -18.507 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.180 -3.095 -16.235 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.091 -4.404 -17.397 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -10.867 -1.219 -16.699 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.417 -3.502 -19.999 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.695 0.276 -18.292 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -11.246 -2.002 -21.584 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.884 -0.114 -20.732 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.731 -5.606 -17.421 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.331 -6.807 -16.839 1.00 0.00 C ATOM 1957 C LYS A 130 -14.419 -8.024 -17.008 1.00 0.00 C ATOM 1958 O LYS A 130 -14.197 -8.785 -16.062 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.682 -7.089 -17.503 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.655 -5.955 -17.188 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.001 -6.234 -17.858 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.975 -5.098 -17.542 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.283 -5.368 -18.204 1.00 0.00 N ATOM 0 H LYS A 130 -14.440 -5.709 -18.393 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.471 -6.627 -15.773 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.556 -7.184 -18.581 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.084 -8.037 -17.144 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.786 -5.863 -16.110 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.251 -5.007 -17.542 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.870 -6.325 -18.936 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.405 -7.182 -17.504 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.112 -5.011 -16.464 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.568 -4.148 -17.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.946 -4.596 -17.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.145 -5.430 -19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.672 -6.266 -17.852 1.00 0.00 H new ATOM 1977 N ALA A 131 -13.927 -8.219 -18.230 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.083 -9.376 -18.557 1.00 0.00 C ATOM 1979 C ALA A 131 -11.619 -9.193 -18.124 1.00 0.00 C ATOM 1980 O ALA A 131 -10.807 -10.109 -18.301 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.144 -9.659 -20.057 1.00 0.00 C ATOM 0 H ALA A 131 -14.097 -7.591 -19.015 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.479 -10.223 -17.996 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.515 -10.518 -20.291 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.173 -9.873 -20.345 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.787 -8.788 -20.606 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.273 -8.005 -17.595 1.00 0.00 N ATOM 1988 CA GLU A 132 -9.891 -7.727 -17.194 1.00 0.00 C ATOM 1989 C GLU A 132 -9.540 -8.364 -15.842 1.00 0.00 C ATOM 1990 O GLU A 132 -10.418 -8.639 -15.020 1.00 0.00 O ATOM 1991 CB GLU A 132 -9.606 -6.192 -17.170 1.00 0.00 C ATOM 1992 CG GLU A 132 -10.234 -5.509 -15.914 1.00 0.00 C ATOM 1993 CD GLU A 132 -9.842 -4.015 -15.832 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -9.296 -3.489 -16.799 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -10.098 -3.422 -14.797 1.00 0.00 O ATOM 0 H GLU A 132 -11.924 -7.236 -17.439 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.248 -8.184 -17.946 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.529 -6.021 -17.177 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.008 -5.733 -18.073 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -11.319 -5.601 -15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.902 -6.024 -15.013 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.241 -8.492 -15.601 1.00 0.00 N ATOM 2003 CA LEU A 133 -7.719 -8.975 -14.325 1.00 0.00 C ATOM 2004 C LEU A 133 -6.595 -8.049 -13.881 1.00 0.00 C ATOM 2005 O LEU A 133 -5.730 -7.692 -14.693 1.00 0.00 O ATOM 2006 CB LEU A 133 -7.213 -10.439 -14.435 1.00 0.00 C ATOM 2007 CG LEU A 133 -6.208 -10.605 -15.623 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -5.169 -11.688 -15.288 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -6.964 -11.015 -16.905 1.00 0.00 C ATOM 0 H LEU A 133 -7.518 -8.264 -16.284 1.00 0.00 H new ATOM 0 HA LEU A 133 -8.520 -8.971 -13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.729 -10.730 -13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.061 -11.109 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.705 -9.652 -15.785 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -4.474 -11.796 -16.121 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -4.619 -11.400 -14.392 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -5.676 -12.637 -15.113 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.255 -11.128 -17.725 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.478 -11.961 -16.737 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.693 -10.246 -17.159 1.00 0.00 H new ATOM 2021 N SER A 134 -6.662 -7.568 -12.628 1.00 0.00 N ATOM 2022 CA SER A 134 -5.683 -6.587 -12.157 1.00 0.00 C ATOM 2023 C SER A 134 -5.636 -6.477 -10.640 1.00 0.00 C ATOM 2024 O SER A 134 -6.481 -7.028 -9.930 1.00 0.00 O ATOM 2025 CB SER A 134 -6.009 -5.220 -12.755 1.00 0.00 C ATOM 2026 OG SER A 134 -5.016 -4.283 -12.366 1.00 0.00 O ATOM 0 H SER A 134 -7.367 -7.837 -11.942 1.00 0.00 H new ATOM 0 HA SER A 134 -4.701 -6.930 -12.484 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.054 -5.288 -13.842 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.990 -4.888 -12.416 1.00 0.00 H new ATOM 0 HG SER A 134 -5.132 -3.453 -12.874 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.654 -5.705 -10.162 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.482 -5.437 -8.735 1.00 0.00 C ATOM 2034 C LYS A 135 -4.683 -3.954 -8.460 1.00 0.00 C ATOM 2035 O LYS A 135 -4.552 -3.124 -9.365 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.079 -5.865 -8.248 1.00 0.00 C ATOM 2037 CG LYS A 135 -1.980 -5.205 -9.108 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.595 -5.697 -8.655 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.205 -5.020 -7.333 1.00 0.00 C ATOM 2040 NZ LYS A 135 1.160 -5.463 -6.927 1.00 0.00 N ATOM 0 H LYS A 135 -3.959 -5.251 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.226 -6.019 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.949 -5.583 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -2.986 -6.950 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.135 -5.446 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.038 -4.120 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.608 -6.780 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 135 0.148 -5.474 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.227 -3.936 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.927 -5.274 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.422 -5.003 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.167 -6.495 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.844 -5.200 -7.665 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.028 -3.630 -7.214 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.291 -2.242 -6.816 1.00 0.00 C ATOM 2056 C LEU A 136 -4.358 -1.787 -5.700 1.00 0.00 C ATOM 2057 O LEU A 136 -4.014 -2.561 -4.805 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.757 -2.105 -6.381 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.674 -2.156 -7.624 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.105 -2.485 -7.198 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -7.659 -0.784 -8.340 1.00 0.00 C ATOM 0 H LEU A 136 -5.133 -4.309 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.102 -1.598 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.018 -2.907 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.902 -1.165 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.310 -2.927 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.748 -2.520 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.122 -3.453 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.467 -1.717 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.307 -0.824 -9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.018 -0.014 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.642 -0.547 -8.651 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.973 -0.507 -5.758 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.105 0.092 -4.754 1.00 0.00 C ATOM 2075 C VAL A 137 -3.667 1.455 -4.343 1.00 0.00 C ATOM 2076 O VAL A 137 -4.001 2.286 -5.197 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.662 0.209 -5.304 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.614 1.139 -6.517 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.722 0.738 -4.211 1.00 0.00 C ATOM 0 H VAL A 137 -4.255 0.134 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.069 -0.541 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.336 -0.784 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.590 1.205 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.258 0.745 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.960 2.131 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.290 0.816 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.061 1.721 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.727 0.052 -3.364 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.850 1.633 -3.038 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.466 2.846 -2.503 1.00 0.00 C ATOM 2091 C ILE A 138 -3.575 3.497 -1.443 1.00 0.00 C ATOM 2092 O ILE A 138 -3.229 2.869 -0.437 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.858 2.509 -1.884 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.761 1.783 -2.928 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.559 3.804 -1.424 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.467 0.269 -2.933 1.00 0.00 C ATOM 0 H ILE A 138 -3.580 0.951 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.593 3.551 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.701 1.852 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.811 1.955 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.585 2.197 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.530 3.559 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.945 4.303 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.698 4.466 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.105 -0.223 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.421 0.102 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.666 -0.144 -1.944 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.294 4.783 -1.640 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.542 5.572 -0.664 1.00 0.00 C ATOM 2110 C VAL A 139 -3.454 6.684 -0.156 1.00 0.00 C ATOM 2111 O VAL A 139 -3.951 7.492 -0.945 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.261 6.163 -1.317 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.473 7.012 -0.293 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.368 5.015 -1.819 1.00 0.00 C ATOM 0 H VAL A 139 -3.577 5.304 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.224 4.943 0.168 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.555 6.800 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.420 7.418 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.100 7.831 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.183 6.387 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.531 5.427 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.088 4.378 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.913 4.425 -2.556 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.711 6.683 1.154 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.614 7.658 1.763 1.00 0.00 C ATOM 2126 C ALA A 140 -3.950 8.358 2.930 1.00 0.00 C ATOM 2127 O ALA A 140 -3.180 7.744 3.678 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.890 6.963 2.239 1.00 0.00 C ATOM 0 H ALA A 140 -3.306 6.017 1.812 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.865 8.405 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.557 7.697 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.388 6.495 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.636 6.201 2.976 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.247 9.652 3.080 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.675 10.446 4.151 1.00 0.00 C ATOM 2136 C LYS A 141 -4.654 10.530 5.311 1.00 0.00 C ATOM 2137 O LYS A 141 -5.837 10.826 5.110 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.357 11.847 3.655 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.426 12.532 4.653 1.00 0.00 C ATOM 2140 CD LYS A 141 -2.052 13.924 4.141 1.00 0.00 C ATOM 2141 CE LYS A 141 -0.946 14.511 5.021 1.00 0.00 C ATOM 2142 NZ LYS A 141 -1.455 14.708 6.411 1.00 0.00 N ATOM 0 H LYS A 141 -4.882 10.165 2.468 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.754 9.969 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.886 11.800 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.275 12.423 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.914 12.611 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.527 11.933 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.715 13.864 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.926 14.575 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.084 13.844 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -0.608 15.462 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.772 15.273 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.368 15.205 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.581 13.783 6.869 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.163 10.236 6.514 1.00 0.00 N ATOM 2157 CA ALA A 142 -5.006 10.240 7.706 1.00 0.00 C ATOM 2158 C ALA A 142 -5.589 11.627 7.971 1.00 0.00 C ATOM 2159 O ALA A 142 -4.851 12.589 8.202 1.00 0.00 O ATOM 2160 CB ALA A 142 -4.195 9.774 8.915 1.00 0.00 C ATOM 0 H ALA A 142 -3.188 9.993 6.688 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.836 9.554 7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.829 9.779 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.826 8.764 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.351 10.447 9.068 1.00 0.00 H new