USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -1.1 K(o=-1.5,f=1.3) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.385 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 165:sc= 0.00505 (180deg=0) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.00555 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -139:sc= -0.588 (180deg=-2.44!) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.125 K(o=-0.46,f=-1) USER MOD Set 4.1: A 29 CYS SG : rot 102:sc= 0.105 USER MOD Set 4.2: A 115 MET CE :methyl -119:sc= -1.34 (180deg=-2.89!) USER MOD Set 5.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 11 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.061) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 52 MET CE :methyl -153:sc= -0.101 (180deg=-1.34) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -120:sc= 0.00604 USER MOD Single : A 63 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=-0.23) USER MOD Single : A 65 ASN : amide:sc= -0.781 K(o=-0.78,f=-3.3!) USER MOD Single : A 70 MET CE :methyl 175:sc= -0.226 (180deg=-0.329) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 96 CYS SG : rot 57:sc= 1.08 USER MOD Single : A 98 LYS NZ :NH3+ -123:sc= -0.0816 (180deg=-0.637) USER MOD Single : A 100 ASN : amide:sc=-0.00725 K(o=-0.0073,f=-0.67) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 154:sc= -0.141 (180deg=-1.06) USER MOD Single : A 118 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.096) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.985 -21.097 7.079 1.00 0.00 N ATOM 84 CA SER A 2 -0.997 -20.543 5.730 1.00 0.00 C ATOM 85 C SER A 2 -0.220 -19.231 5.674 1.00 0.00 C ATOM 86 O SER A 2 -0.370 -18.350 6.521 1.00 0.00 O ATOM 87 CB SER A 2 -2.436 -20.318 5.261 1.00 0.00 C ATOM 88 OG SER A 2 -2.975 -21.494 4.685 1.00 0.00 O ATOM 0 HA SER A 2 -0.514 -21.259 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.052 -20.007 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.462 -19.508 4.532 1.00 0.00 H new ATOM 0 HG SER A 2 -3.896 -21.324 4.395 1.00 0.00 H new ATOM 94 N PRO A 3 0.635 -19.095 4.650 1.00 0.00 N ATOM 95 CA PRO A 3 1.401 -17.848 4.561 1.00 0.00 C ATOM 96 C PRO A 3 0.524 -16.654 4.199 1.00 0.00 C ATOM 97 O PRO A 3 -0.604 -16.817 3.734 1.00 0.00 O ATOM 98 CB PRO A 3 2.408 -18.130 3.443 1.00 0.00 C ATOM 99 CG PRO A 3 1.761 -19.178 2.606 1.00 0.00 C ATOM 100 CD PRO A 3 0.952 -20.022 3.551 1.00 0.00 C ATOM 0 HA PRO A 3 1.862 -17.584 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.616 -17.232 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.360 -18.477 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.126 -18.730 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.508 -19.779 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.049 -20.405 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.517 -20.885 3.903 1.00 0.00 H new ATOM 108 N PHE A 4 1.050 -15.452 4.414 1.00 0.00 N ATOM 109 CA PHE A 4 0.315 -14.230 4.111 1.00 0.00 C ATOM 110 C PHE A 4 1.245 -13.163 3.541 1.00 0.00 C ATOM 111 O PHE A 4 2.467 -13.268 3.647 1.00 0.00 O ATOM 112 CB PHE A 4 -0.378 -13.701 5.369 1.00 0.00 C ATOM 113 CG PHE A 4 0.569 -13.089 6.361 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.159 -13.864 7.346 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.869 -11.737 6.310 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.030 -13.304 8.261 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.740 -11.171 7.221 1.00 0.00 C ATOM 118 CZ PHE A 4 2.321 -11.955 8.199 1.00 0.00 C ATOM 0 H PHE A 4 1.983 -15.299 4.797 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.440 -14.466 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.120 -12.957 5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.916 -14.518 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.935 -14.919 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.417 -11.118 5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.483 -13.920 9.024 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.967 -10.116 7.169 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.001 -11.514 8.913 1.00 0.00 H new ATOM 128 N LEU A 5 0.657 -12.137 2.937 1.00 0.00 N ATOM 129 CA LEU A 5 1.432 -11.049 2.349 1.00 0.00 C ATOM 130 C LEU A 5 1.285 -9.771 3.169 1.00 0.00 C ATOM 131 O LEU A 5 0.172 -9.350 3.486 1.00 0.00 O ATOM 132 CB LEU A 5 0.984 -10.799 0.908 1.00 0.00 C ATOM 133 CG LEU A 5 1.725 -11.588 -0.171 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.141 -11.293 -1.544 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.212 -11.266 -0.142 1.00 0.00 C ATOM 0 H LEU A 5 -0.353 -12.035 2.841 1.00 0.00 H new ATOM 0 HA LEU A 5 2.482 -11.341 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.079 -11.030 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.095 -9.736 0.693 1.00 0.00 H new ATOM 0 HG LEU A 5 1.600 -12.651 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.681 -11.864 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.088 -11.575 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.234 -10.228 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.723 -11.837 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.357 -10.201 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.622 -11.529 0.833 1.00 0.00 H new ATOM 147 N ARG A 6 2.414 -9.157 3.507 1.00 0.00 N ATOM 148 CA ARG A 6 2.411 -7.927 4.288 1.00 0.00 C ATOM 149 C ARG A 6 2.743 -6.724 3.410 1.00 0.00 C ATOM 150 O ARG A 6 3.910 -6.368 3.244 1.00 0.00 O ATOM 151 CB ARG A 6 3.415 -8.025 5.438 1.00 0.00 C ATOM 152 CG ARG A 6 3.598 -6.722 6.200 1.00 0.00 C ATOM 153 CD ARG A 6 4.107 -6.969 7.611 1.00 0.00 C ATOM 154 NE ARG A 6 4.875 -5.837 8.122 1.00 0.00 N ATOM 155 CZ ARG A 6 5.256 -5.719 9.389 1.00 0.00 C ATOM 156 NH1 ARG A 6 4.942 -6.659 10.269 1.00 0.00 N ATOM 157 NH2 ARG A 6 5.953 -4.659 9.778 1.00 0.00 N ATOM 0 H ARG A 6 3.343 -9.492 3.252 1.00 0.00 H new ATOM 0 HA ARG A 6 1.411 -7.790 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.086 -8.798 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.379 -8.342 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.300 -6.082 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.649 -6.188 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.262 -7.162 8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.730 -7.863 7.620 1.00 0.00 H new ATOM 0 HE ARG A 6 5.133 -5.096 7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.407 -7.475 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.236 -6.566 11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.197 -3.933 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.245 -4.570 10.751 1.00 0.00 H new ATOM 171 N ILE A 7 1.710 -6.104 2.849 1.00 0.00 N ATOM 172 CA ILE A 7 1.893 -4.942 1.989 1.00 0.00 C ATOM 173 C ILE A 7 1.863 -3.649 2.797 1.00 0.00 C ATOM 174 O ILE A 7 1.015 -3.470 3.670 1.00 0.00 O ATOM 175 CB ILE A 7 0.811 -4.875 0.895 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.828 -6.152 0.052 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.019 -3.651 0.017 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.063 -7.247 0.594 1.00 0.00 C ATOM 0 H ILE A 7 0.738 -6.387 2.975 1.00 0.00 H new ATOM 0 HA ILE A 7 2.870 -5.050 1.517 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.164 -4.791 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.516 -5.911 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.851 -6.524 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.246 -3.619 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.961 -2.751 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.999 -3.705 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.001 -8.121 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.262 -7.516 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.094 -6.894 0.628 1.00 0.00 H new ATOM 190 N GLY A 8 2.794 -2.748 2.498 1.00 0.00 N ATOM 191 CA GLY A 8 2.856 -1.482 3.205 1.00 0.00 C ATOM 192 C GLY A 8 2.914 -0.295 2.264 1.00 0.00 C ATOM 193 O GLY A 8 3.808 -0.205 1.422 1.00 0.00 O ATOM 0 H GLY A 8 3.506 -2.872 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.983 -1.387 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.734 -1.473 3.851 1.00 0.00 H new ATOM 197 N LEU A 9 1.958 0.616 2.405 1.00 0.00 N ATOM 198 CA LEU A 9 1.903 1.804 1.559 1.00 0.00 C ATOM 199 C LEU A 9 2.486 3.014 2.281 1.00 0.00 C ATOM 200 O LEU A 9 2.216 3.235 3.461 1.00 0.00 O ATOM 201 CB LEU A 9 0.460 2.091 1.142 1.00 0.00 C ATOM 202 CG LEU A 9 -0.299 0.926 0.504 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.779 1.255 0.385 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.287 0.593 -0.861 1.00 0.00 C ATOM 0 H LEU A 9 1.211 0.556 3.096 1.00 0.00 H new ATOM 0 HA LEU A 9 2.501 1.613 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.093 2.420 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.465 2.924 0.439 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.193 0.052 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.303 0.415 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.190 1.444 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.906 2.142 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.265 -0.238 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.211 1.464 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.335 0.314 -0.749 1.00 0.00 H new ATOM 216 N SER A 10 3.286 3.796 1.563 1.00 0.00 N ATOM 217 CA SER A 10 3.909 4.984 2.135 1.00 0.00 C ATOM 218 C SER A 10 4.326 5.960 1.040 1.00 0.00 C ATOM 219 O SER A 10 4.424 5.593 -0.130 1.00 0.00 O ATOM 220 CB SER A 10 5.126 4.593 2.976 1.00 0.00 C ATOM 221 OG SER A 10 5.930 3.643 2.298 1.00 0.00 O ATOM 0 H SER A 10 3.518 3.628 0.584 1.00 0.00 H new ATOM 0 HA SER A 10 3.176 5.475 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.717 5.481 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.796 4.181 3.929 1.00 0.00 H new ATOM 0 HG SER A 10 6.702 3.411 2.855 1.00 0.00 H new ATOM 227 N ASN A 11 4.571 7.207 1.429 1.00 0.00 N ATOM 228 CA ASN A 11 4.977 8.238 0.481 1.00 0.00 C ATOM 229 C ASN A 11 3.905 8.451 -0.584 1.00 0.00 C ATOM 230 O ASN A 11 4.199 8.474 -1.779 1.00 0.00 O ATOM 231 CB ASN A 11 6.302 7.857 -0.182 1.00 0.00 C ATOM 232 CG ASN A 11 7.302 7.290 0.807 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.699 7.962 1.759 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.714 6.047 0.585 1.00 0.00 N ATOM 0 H ASN A 11 4.495 7.528 2.394 1.00 0.00 H new ATOM 0 HA ASN A 11 5.108 9.170 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.115 7.123 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.730 8.736 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.387 5.612 1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.358 5.527 -0.217 1.00 0.00 H new ATOM 241 N PHE A 12 2.662 8.605 -0.141 1.00 0.00 N ATOM 242 CA PHE A 12 1.546 8.816 -1.055 1.00 0.00 C ATOM 243 C PHE A 12 1.655 10.173 -1.744 1.00 0.00 C ATOM 244 O PHE A 12 1.674 11.214 -1.088 1.00 0.00 O ATOM 245 CB PHE A 12 0.217 8.719 -0.303 1.00 0.00 C ATOM 246 CG PHE A 12 -0.973 9.101 -1.135 1.00 0.00 C ATOM 247 CD1 PHE A 12 -1.139 8.584 -2.410 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.926 9.979 -0.644 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.233 8.933 -3.179 1.00 0.00 C ATOM 250 CE2 PHE A 12 -3.022 10.332 -1.408 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.175 9.809 -2.677 1.00 0.00 C ATOM 0 H PHE A 12 2.402 8.588 0.845 1.00 0.00 H new ATOM 0 HA PHE A 12 1.582 8.037 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.086 7.698 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.258 9.363 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.404 7.900 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.811 10.392 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.351 8.521 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.758 11.016 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.030 10.085 -3.276 1.00 0.00 H new ATOM 261 N ASP A 13 1.727 10.153 -3.070 1.00 0.00 N ATOM 262 CA ASP A 13 1.834 11.381 -3.849 1.00 0.00 C ATOM 263 C ASP A 13 0.530 11.673 -4.585 1.00 0.00 C ATOM 264 O ASP A 13 0.111 10.907 -5.454 1.00 0.00 O ATOM 265 CB ASP A 13 2.986 11.277 -4.850 1.00 0.00 C ATOM 266 CG ASP A 13 4.343 11.278 -4.173 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.854 12.376 -3.870 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.892 10.180 -3.945 1.00 0.00 O ATOM 0 H ASP A 13 1.713 9.300 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 13 2.034 12.202 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.875 10.363 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.932 12.111 -5.550 1.00 0.00 H new ATOM 273 N CYS A 14 -0.107 12.783 -4.231 1.00 0.00 N ATOM 274 CA CYS A 14 -1.365 13.176 -4.856 1.00 0.00 C ATOM 275 C CYS A 14 -1.142 14.289 -5.875 1.00 0.00 C ATOM 276 O CYS A 14 -1.595 14.201 -7.015 1.00 0.00 O ATOM 277 CB CYS A 14 -2.366 13.634 -3.794 1.00 0.00 C ATOM 278 SG CYS A 14 -3.966 14.148 -4.460 1.00 0.00 S ATOM 0 H CYS A 14 0.227 13.427 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.770 12.308 -5.376 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.524 12.822 -3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.933 14.464 -3.236 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.744 14.515 -3.485 1.00 0.00 H new ATOM 431 N PRO A 27 -7.358 12.132 4.277 1.00 0.00 N ATOM 432 CA PRO A 27 -8.120 11.199 3.442 1.00 0.00 C ATOM 433 C PRO A 27 -7.860 9.743 3.814 1.00 0.00 C ATOM 434 O PRO A 27 -6.870 9.428 4.474 1.00 0.00 O ATOM 435 CB PRO A 27 -7.607 11.489 2.029 1.00 0.00 C ATOM 436 CG PRO A 27 -6.240 12.046 2.228 1.00 0.00 C ATOM 437 CD PRO A 27 -6.288 12.808 3.524 1.00 0.00 C ATOM 0 HA PRO A 27 -9.196 11.334 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.581 10.583 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.252 12.199 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.497 11.250 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.961 12.699 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.335 12.764 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.514 13.862 3.362 1.00 0.00 H new ATOM 445 N TYR A 28 -8.755 8.860 3.386 1.00 0.00 N ATOM 446 CA TYR A 28 -8.624 7.437 3.676 1.00 0.00 C ATOM 447 C TYR A 28 -8.572 6.621 2.388 1.00 0.00 C ATOM 448 O TYR A 28 -9.211 6.968 1.394 1.00 0.00 O ATOM 449 CB TYR A 28 -9.789 6.963 4.547 1.00 0.00 C ATOM 450 CG TYR A 28 -11.142 7.139 3.896 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.777 8.374 3.891 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.785 6.069 3.285 1.00 0.00 C ATOM 453 CE1 TYR A 28 -13.014 8.539 3.298 1.00 0.00 C ATOM 454 CE2 TYR A 28 -13.021 6.225 2.688 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.632 7.462 2.698 1.00 0.00 C ATOM 456 OH TYR A 28 -14.863 7.622 2.105 1.00 0.00 O ATOM 0 H TYR A 28 -9.579 9.104 2.837 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.690 7.287 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.646 5.910 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.774 7.511 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.296 9.220 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.310 5.099 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.494 9.506 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.506 5.383 2.216 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.158 6.767 1.728 1.00 0.00 H new ATOM 466 N CYS A 29 -7.808 5.535 2.414 1.00 0.00 N ATOM 467 CA CYS A 29 -7.671 4.668 1.249 1.00 0.00 C ATOM 468 C CYS A 29 -8.523 3.412 1.403 1.00 0.00 C ATOM 469 O CYS A 29 -8.448 2.720 2.418 1.00 0.00 O ATOM 470 CB CYS A 29 -6.205 4.282 1.043 1.00 0.00 C ATOM 471 SG CYS A 29 -5.282 5.427 -0.009 1.00 0.00 S ATOM 0 H CYS A 29 -7.274 5.234 3.229 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.020 5.218 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.716 4.224 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.161 3.285 0.604 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.555 6.208 0.733 1.00 0.00 H new ATOM 477 N ALA A 30 -9.333 3.125 0.390 1.00 0.00 N ATOM 478 CA ALA A 30 -10.199 1.953 0.412 1.00 0.00 C ATOM 479 C ALA A 30 -9.555 0.780 -0.319 1.00 0.00 C ATOM 480 O ALA A 30 -9.285 0.855 -1.518 1.00 0.00 O ATOM 481 CB ALA A 30 -11.551 2.283 -0.203 1.00 0.00 C ATOM 0 H ALA A 30 -9.408 3.688 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.347 1.662 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.187 1.398 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.023 3.084 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.413 2.603 -1.236 1.00 0.00 H new ATOM 487 N VAL A 31 -9.309 -0.304 0.411 1.00 0.00 N ATOM 488 CA VAL A 31 -8.696 -1.493 -0.169 1.00 0.00 C ATOM 489 C VAL A 31 -9.725 -2.602 -0.364 1.00 0.00 C ATOM 490 O VAL A 31 -10.111 -3.280 0.589 1.00 0.00 O ATOM 491 CB VAL A 31 -7.550 -2.021 0.713 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.885 -3.224 0.063 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.534 -0.920 0.980 1.00 0.00 C ATOM 0 H VAL A 31 -9.525 -0.383 1.405 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.293 -1.200 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.967 -2.340 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.078 -3.583 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.620 -4.017 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.480 -2.936 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.731 -1.310 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.121 -0.569 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.022 -0.091 1.492 1.00 0.00 H new ATOM 503 N LEU A 32 -10.164 -2.782 -1.605 1.00 0.00 N ATOM 504 CA LEU A 32 -11.149 -3.809 -1.926 1.00 0.00 C ATOM 505 C LEU A 32 -10.466 -5.133 -2.255 1.00 0.00 C ATOM 506 O LEU A 32 -9.403 -5.158 -2.876 1.00 0.00 O ATOM 507 CB LEU A 32 -12.015 -3.363 -3.105 1.00 0.00 C ATOM 508 CG LEU A 32 -12.768 -2.044 -2.923 1.00 0.00 C ATOM 509 CD1 LEU A 32 -11.888 -0.869 -3.319 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.054 -2.048 -3.736 1.00 0.00 C ATOM 0 H LEU A 32 -9.854 -2.230 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.784 -3.955 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.378 -3.276 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.742 -4.148 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.028 -1.938 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.440 0.061 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.995 -0.856 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.597 -0.969 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.577 -1.102 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.816 -2.177 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.691 -2.868 -3.405 1.00 0.00 H new ATOM 522 N VAL A 33 -11.084 -6.232 -1.835 1.00 0.00 N ATOM 523 CA VAL A 33 -10.539 -7.561 -2.088 1.00 0.00 C ATOM 524 C VAL A 33 -11.609 -8.501 -2.629 1.00 0.00 C ATOM 525 O VAL A 33 -12.636 -8.727 -1.988 1.00 0.00 O ATOM 526 CB VAL A 33 -9.934 -8.171 -0.809 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.387 -9.562 -1.089 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.848 -7.265 -0.249 1.00 0.00 C ATOM 0 H VAL A 33 -11.963 -6.229 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.753 -7.444 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.722 -8.260 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.964 -9.977 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.193 -10.206 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.612 -9.501 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.432 -7.711 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.058 -7.142 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.275 -6.291 -0.009 1.00 0.00 H new ATOM 538 N LYS A 34 -11.363 -9.048 -3.815 1.00 0.00 N ATOM 539 CA LYS A 34 -12.305 -9.966 -4.445 1.00 0.00 C ATOM 540 C LYS A 34 -11.700 -11.360 -4.576 1.00 0.00 C ATOM 541 O LYS A 34 -10.482 -11.526 -4.511 1.00 0.00 O ATOM 542 CB LYS A 34 -12.713 -9.444 -5.824 1.00 0.00 C ATOM 543 CG LYS A 34 -13.246 -8.022 -5.803 1.00 0.00 C ATOM 544 CD LYS A 34 -12.127 -7.005 -5.949 1.00 0.00 C ATOM 545 CE LYS A 34 -12.644 -5.682 -6.493 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.718 -4.556 -6.186 1.00 0.00 N ATOM 0 H LYS A 34 -10.519 -8.871 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.190 -10.031 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.852 -9.490 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.475 -10.102 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.966 -7.890 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.779 -7.846 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.654 -6.842 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.360 -7.399 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.776 -5.760 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.625 -5.472 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.269 -3.719 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.086 -4.829 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.151 -4.333 -7.029 1.00 0.00 H new ATOM 809 N PRO A 50 -15.392 -7.255 2.445 1.00 0.00 N ATOM 810 CA PRO A 50 -15.730 -5.844 2.236 1.00 0.00 C ATOM 811 C PRO A 50 -14.493 -4.955 2.173 1.00 0.00 C ATOM 812 O PRO A 50 -13.375 -5.409 2.418 1.00 0.00 O ATOM 813 CB PRO A 50 -16.576 -5.497 3.464 1.00 0.00 C ATOM 814 CG PRO A 50 -16.138 -6.462 4.511 1.00 0.00 C ATOM 815 CD PRO A 50 -15.781 -7.729 3.784 1.00 0.00 C ATOM 0 HA PRO A 50 -16.244 -5.684 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.410 -4.467 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.641 -5.598 3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.282 -6.075 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.933 -6.639 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.965 -8.258 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.625 -8.417 3.737 1.00 0.00 H new ATOM 823 N THR A 51 -14.700 -3.684 1.842 1.00 0.00 N ATOM 824 CA THR A 51 -13.602 -2.731 1.746 1.00 0.00 C ATOM 825 C THR A 51 -12.775 -2.713 3.026 1.00 0.00 C ATOM 826 O THR A 51 -13.298 -2.939 4.117 1.00 0.00 O ATOM 827 CB THR A 51 -14.117 -1.307 1.462 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.263 -1.363 0.605 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.033 -0.459 0.812 1.00 0.00 C ATOM 0 H THR A 51 -15.619 -3.291 1.636 1.00 0.00 H new ATOM 0 HA THR A 51 -12.975 -3.056 0.916 1.00 0.00 H new ATOM 0 HB THR A 51 -14.395 -0.849 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.586 -0.454 0.430 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.420 0.542 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.173 -0.395 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.729 -0.916 -0.130 1.00 0.00 H new ATOM 837 N MET A 52 -11.481 -2.444 2.886 1.00 0.00 N ATOM 838 CA MET A 52 -10.582 -2.395 4.034 1.00 0.00 C ATOM 839 C MET A 52 -10.008 -0.994 4.215 1.00 0.00 C ATOM 840 O MET A 52 -10.038 -0.176 3.295 1.00 0.00 O ATOM 841 CB MET A 52 -9.447 -3.407 3.863 1.00 0.00 C ATOM 842 CG MET A 52 -9.800 -4.804 4.346 1.00 0.00 C ATOM 843 SD MET A 52 -8.369 -5.898 4.413 1.00 0.00 S ATOM 844 CE MET A 52 -7.723 -5.713 2.752 1.00 0.00 C ATOM 0 H MET A 52 -11.031 -2.257 1.990 1.00 0.00 H new ATOM 0 HA MET A 52 -11.155 -2.651 4.925 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.170 -3.455 2.810 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.571 -3.054 4.407 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.249 -4.739 5.337 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.551 -5.234 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.181 -6.615 2.470 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.547 -5.553 2.057 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.048 -4.858 2.717 1.00 0.00 H new ATOM 854 N TYR A 53 -9.485 -0.724 5.406 1.00 0.00 N ATOM 855 CA TYR A 53 -8.905 0.580 5.709 1.00 0.00 C ATOM 856 C TYR A 53 -7.548 0.428 6.388 1.00 0.00 C ATOM 857 O TYR A 53 -7.426 0.471 7.613 1.00 0.00 O ATOM 858 CB TYR A 53 -9.849 1.385 6.603 1.00 0.00 C ATOM 859 CG TYR A 53 -11.238 1.548 6.027 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.429 2.114 4.772 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.359 1.136 6.737 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.695 2.265 4.242 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.629 1.282 6.214 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.792 1.847 4.967 1.00 0.00 C ATOM 865 OH TYR A 53 -15.056 1.996 4.443 1.00 0.00 O ATOM 0 H TYR A 53 -9.451 -1.390 6.177 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.762 1.114 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.923 0.895 7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.419 2.371 6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.572 2.441 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.235 0.694 7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.826 2.708 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.490 0.955 6.779 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.717 1.651 5.079 1.00 0.00 H new ATOM 875 N PRO A 54 -6.498 0.246 5.575 1.00 0.00 N ATOM 876 CA PRO A 54 -5.175 0.098 6.190 1.00 0.00 C ATOM 877 C PRO A 54 -4.675 1.397 6.811 1.00 0.00 C ATOM 878 O PRO A 54 -5.149 2.489 6.499 1.00 0.00 O ATOM 879 CB PRO A 54 -4.282 -0.312 5.015 1.00 0.00 C ATOM 880 CG PRO A 54 -4.967 0.234 3.810 1.00 0.00 C ATOM 881 CD PRO A 54 -6.440 0.168 4.106 1.00 0.00 C ATOM 0 HA PRO A 54 -5.184 -0.622 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.278 0.098 5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.179 -1.395 4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.654 1.259 3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.721 -0.350 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.981 0.991 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.883 -0.756 3.735 1.00 0.00 H new ATOM 889 N PRO A 55 -3.691 1.281 7.714 1.00 0.00 N ATOM 890 CA PRO A 55 -3.183 2.509 8.333 1.00 0.00 C ATOM 891 C PRO A 55 -2.398 3.372 7.351 1.00 0.00 C ATOM 892 O PRO A 55 -2.310 3.055 6.165 1.00 0.00 O ATOM 893 CB PRO A 55 -2.263 1.993 9.443 1.00 0.00 C ATOM 894 CG PRO A 55 -1.838 0.641 8.985 1.00 0.00 C ATOM 895 CD PRO A 55 -3.001 0.080 8.214 1.00 0.00 C ATOM 0 HA PRO A 55 -3.990 3.148 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.405 2.651 9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.786 1.941 10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.948 0.703 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.587 0.003 9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.670 -0.562 7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.651 -0.522 8.849 1.00 0.00 H new ATOM 903 N TRP A 56 -1.831 4.463 7.851 1.00 0.00 N ATOM 904 CA TRP A 56 -1.053 5.372 7.017 1.00 0.00 C ATOM 905 C TRP A 56 0.440 5.215 7.285 1.00 0.00 C ATOM 906 O TRP A 56 0.874 5.201 8.437 1.00 0.00 O ATOM 907 CB TRP A 56 -1.479 6.819 7.268 1.00 0.00 C ATOM 908 CG TRP A 56 -2.614 7.264 6.395 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.830 7.730 6.807 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.639 7.282 4.964 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.609 8.037 5.717 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.901 7.772 4.575 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.717 6.935 3.973 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.262 7.920 3.239 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -2.077 7.083 2.647 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.340 7.573 2.289 1.00 0.00 C ATOM 0 H TRP A 56 -1.895 4.740 8.830 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.244 5.120 5.974 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.769 6.929 8.313 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.625 7.476 7.104 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.134 7.841 7.837 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.560 8.403 5.753 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.740 6.558 4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.236 8.296 2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.373 6.816 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.591 7.679 1.244 1.00 0.00 H new ATOM 927 N ASP A 57 1.220 5.097 6.216 1.00 0.00 N ATOM 928 CA ASP A 57 2.665 4.942 6.337 1.00 0.00 C ATOM 929 C ASP A 57 3.011 3.727 7.191 1.00 0.00 C ATOM 930 O ASP A 57 4.068 3.679 7.820 1.00 0.00 O ATOM 931 CB ASP A 57 3.285 6.202 6.945 1.00 0.00 C ATOM 932 CG ASP A 57 3.151 7.409 6.037 1.00 0.00 C ATOM 933 OD1 ASP A 57 3.335 7.253 4.812 1.00 0.00 O ATOM 934 OD2 ASP A 57 2.862 8.509 6.552 1.00 0.00 O ATOM 0 H ASP A 57 0.876 5.106 5.256 1.00 0.00 H new ATOM 0 HA ASP A 57 3.075 4.790 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.805 6.415 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.340 6.021 7.151 1.00 0.00 H new ATOM 939 N SER A 58 2.113 2.747 7.210 1.00 0.00 N ATOM 940 CA SER A 58 2.322 1.533 7.990 1.00 0.00 C ATOM 941 C SER A 58 2.072 0.291 7.140 1.00 0.00 C ATOM 942 O SER A 58 1.661 0.388 5.984 1.00 0.00 O ATOM 943 CB SER A 58 1.400 1.523 9.212 1.00 0.00 C ATOM 944 OG SER A 58 1.999 2.193 10.308 1.00 0.00 O ATOM 0 H SER A 58 1.234 2.770 6.694 1.00 0.00 H new ATOM 0 HA SER A 58 3.359 1.519 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.454 2.003 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.172 0.494 9.491 1.00 0.00 H new ATOM 0 HG SER A 58 1.390 2.174 11.075 1.00 0.00 H new ATOM 950 N THR A 59 2.325 -0.877 7.723 1.00 0.00 N ATOM 951 CA THR A 59 2.129 -2.139 7.020 1.00 0.00 C ATOM 952 C THR A 59 0.879 -2.856 7.516 1.00 0.00 C ATOM 953 O THR A 59 0.571 -2.837 8.708 1.00 0.00 O ATOM 954 CB THR A 59 3.344 -3.071 7.192 1.00 0.00 C ATOM 955 OG1 THR A 59 3.967 -2.835 8.459 1.00 0.00 O ATOM 956 CG2 THR A 59 4.354 -2.854 6.075 1.00 0.00 C ATOM 0 H THR A 59 2.666 -0.975 8.679 1.00 0.00 H new ATOM 0 HA THR A 59 2.011 -1.898 5.964 1.00 0.00 H new ATOM 0 HB THR A 59 2.993 -4.102 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.896 -2.555 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.203 -3.523 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.884 -3.063 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.699 -1.820 6.092 1.00 0.00 H new ATOM 964 N PHE A 60 0.161 -3.490 6.594 1.00 0.00 N ATOM 965 CA PHE A 60 -1.057 -4.214 6.938 1.00 0.00 C ATOM 966 C PHE A 60 -0.989 -5.657 6.447 1.00 0.00 C ATOM 967 O PHE A 60 -0.236 -5.976 5.527 1.00 0.00 O ATOM 968 CB PHE A 60 -2.278 -3.515 6.336 1.00 0.00 C ATOM 969 CG PHE A 60 -2.252 -3.449 4.836 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.788 -4.474 4.074 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.689 -2.361 4.187 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.766 -4.416 2.693 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.665 -2.298 2.807 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.202 -3.327 2.059 1.00 0.00 C ATOM 0 H PHE A 60 0.402 -3.517 5.603 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.151 -4.223 8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.180 -4.039 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.341 -2.503 6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.229 -5.329 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.265 -1.554 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.189 -5.221 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.226 -1.444 2.313 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.181 -3.280 0.980 1.00 0.00 H new ATOM 984 N ASP A 61 -1.781 -6.524 7.068 1.00 0.00 N ATOM 985 CA ASP A 61 -1.812 -7.934 6.695 1.00 0.00 C ATOM 986 C ASP A 61 -2.882 -8.193 5.639 1.00 0.00 C ATOM 987 O ASP A 61 -3.948 -7.580 5.659 1.00 0.00 O ATOM 988 CB ASP A 61 -2.071 -8.804 7.926 1.00 0.00 C ATOM 989 CG ASP A 61 -3.509 -8.724 8.399 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.372 -9.389 7.788 1.00 0.00 O ATOM 991 OD2 ASP A 61 -3.772 -7.995 9.379 1.00 0.00 O ATOM 0 H ASP A 61 -2.410 -6.276 7.832 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.841 -8.195 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.825 -9.840 7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.408 -8.493 8.733 1.00 0.00 H new ATOM 996 N ALA A 62 -2.588 -9.105 4.718 1.00 0.00 N ATOM 997 CA ALA A 62 -3.525 -9.445 3.654 1.00 0.00 C ATOM 998 C ALA A 62 -3.439 -10.926 3.301 1.00 0.00 C ATOM 999 O ALA A 62 -2.438 -11.387 2.753 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.259 -8.591 2.423 1.00 0.00 C ATOM 0 H ALA A 62 -1.709 -9.621 4.687 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.534 -9.241 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.966 -8.856 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.378 -7.538 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.242 -8.767 2.071 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.496 -11.668 3.619 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.539 -13.098 3.335 1.00 0.00 C ATOM 1008 C HIS A 63 -4.253 -13.368 1.861 1.00 0.00 C ATOM 1009 O HIS A 63 -4.458 -12.502 1.011 1.00 0.00 O ATOM 1010 CB HIS A 63 -5.904 -13.673 3.716 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.111 -13.797 5.194 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -5.100 -14.130 6.070 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -7.221 -13.628 5.949 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -5.580 -14.163 7.300 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.865 -13.862 7.255 1.00 0.00 N ATOM 0 H HIS A 63 -5.333 -11.303 4.073 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.768 -13.586 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.686 -13.037 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.015 -14.656 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -8.204 -13.359 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.017 -14.397 8.192 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.491 -13.811 8.059 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.778 -14.574 1.567 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.464 -14.957 0.197 1.00 0.00 C ATOM 1025 C ILE A 64 -4.425 -16.028 -0.309 1.00 0.00 C ATOM 1026 O ILE A 64 -4.814 -16.927 0.435 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.020 -15.480 0.075 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.028 -14.418 0.553 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.722 -15.882 -1.362 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.396 -14.920 0.647 1.00 0.00 C ATOM 0 H ILE A 64 -3.602 -15.302 2.260 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.570 -14.060 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.914 -16.361 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.061 -13.568 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.342 -14.054 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.698 -16.249 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.411 -16.668 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.843 -15.017 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.044 -14.114 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.443 -15.750 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.728 -15.258 -0.335 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.802 -15.925 -1.579 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.716 -16.886 -2.185 1.00 0.00 C ATOM 1044 C ASN A 65 -5.574 -16.889 -3.704 1.00 0.00 C ATOM 1045 O ASN A 65 -5.109 -15.916 -4.297 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.160 -16.560 -1.798 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.581 -17.242 -0.510 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.001 -18.252 -0.111 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -8.595 -16.690 0.147 1.00 0.00 N ATOM 0 H ASN A 65 -4.489 -15.186 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.461 -17.878 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.269 -15.481 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.827 -16.867 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.923 -17.104 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.046 -15.853 -0.221 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.978 -17.990 -4.328 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.898 -18.122 -5.778 1.00 0.00 C ATOM 1058 C LYS A 66 -6.927 -17.229 -6.463 1.00 0.00 C ATOM 1059 O LYS A 66 -8.096 -17.205 -6.080 1.00 0.00 O ATOM 1060 CB LYS A 66 -6.116 -19.579 -6.191 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.931 -20.481 -5.891 1.00 0.00 C ATOM 1062 CD LYS A 66 -5.244 -21.935 -6.201 1.00 0.00 C ATOM 1063 CE LYS A 66 -5.011 -22.255 -7.669 1.00 0.00 C ATOM 1064 NZ LYS A 66 -3.605 -22.672 -7.929 1.00 0.00 N ATOM 0 H LYS A 66 -6.365 -18.805 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.903 -17.807 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.996 -19.966 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.329 -19.617 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.071 -20.160 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.655 -20.383 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.621 -22.582 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.281 -22.148 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.689 -23.050 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.248 -21.380 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.543 -23.119 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.985 -21.838 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.304 -23.351 -7.201 1.00 0.00 H new ATOM 1078 N GLY A 67 -6.484 -16.495 -7.479 1.00 0.00 N ATOM 1079 CA GLY A 67 -7.380 -15.611 -8.202 1.00 0.00 C ATOM 1080 C GLY A 67 -7.837 -14.435 -7.362 1.00 0.00 C ATOM 1081 O GLY A 67 -8.917 -13.888 -7.583 1.00 0.00 O ATOM 0 H GLY A 67 -5.521 -16.497 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.878 -15.241 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.251 -16.175 -8.536 1.00 0.00 H new ATOM 1085 N ARG A 68 -7.013 -14.045 -6.395 1.00 0.00 N ATOM 1086 CA ARG A 68 -7.340 -12.928 -5.516 1.00 0.00 C ATOM 1087 C ARG A 68 -6.759 -11.625 -6.056 1.00 0.00 C ATOM 1088 O ARG A 68 -5.546 -11.493 -6.217 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.810 -13.190 -4.105 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.408 -12.272 -3.051 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.335 -12.894 -1.665 1.00 0.00 C ATOM 1092 NE ARG A 68 -7.248 -11.882 -0.615 1.00 0.00 N ATOM 1093 CZ ARG A 68 -7.503 -12.128 0.665 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -7.859 -13.346 1.051 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -7.403 -11.155 1.562 1.00 0.00 N ATOM 0 H ARG A 68 -6.114 -14.486 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.425 -12.833 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.018 -14.225 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.726 -13.072 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.877 -11.320 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.447 -12.058 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.216 -13.514 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.467 -13.551 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.977 -10.935 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.937 -14.096 0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.054 -13.533 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.130 -10.217 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.599 -11.345 2.545 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.634 -10.663 -6.334 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.208 -9.369 -6.855 1.00 0.00 C ATOM 1111 C VAL A 69 -7.505 -8.252 -5.860 1.00 0.00 C ATOM 1112 O VAL A 69 -8.578 -8.211 -5.260 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.900 -9.048 -8.193 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.547 -10.092 -9.241 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.407 -8.958 -8.005 1.00 0.00 C ATOM 0 H VAL A 69 -8.642 -10.755 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.132 -9.431 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.542 -8.080 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.045 -9.848 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.468 -10.103 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.875 -11.074 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.880 -8.731 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.784 -9.910 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.638 -8.169 -7.289 1.00 0.00 H new ATOM 1125 N MET A 70 -6.546 -7.347 -5.692 1.00 0.00 N ATOM 1126 CA MET A 70 -6.706 -6.228 -4.771 1.00 0.00 C ATOM 1127 C MET A 70 -6.805 -4.909 -5.531 1.00 0.00 C ATOM 1128 O MET A 70 -6.172 -4.733 -6.572 1.00 0.00 O ATOM 1129 CB MET A 70 -5.534 -6.177 -3.789 1.00 0.00 C ATOM 1130 CG MET A 70 -5.522 -4.929 -2.921 1.00 0.00 C ATOM 1131 SD MET A 70 -4.371 -5.055 -1.539 1.00 0.00 S ATOM 1132 CE MET A 70 -2.824 -5.298 -2.408 1.00 0.00 C ATOM 0 H MET A 70 -5.651 -7.367 -6.181 1.00 0.00 H new ATOM 0 HA MET A 70 -7.631 -6.377 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.571 -7.056 -3.146 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.600 -6.230 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.255 -4.068 -3.534 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.526 -4.748 -2.537 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.002 -5.305 -1.692 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.851 -6.249 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.677 -4.488 -3.122 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.603 -3.986 -5.004 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.785 -2.684 -5.635 1.00 0.00 C ATOM 1144 C GLN A 71 -7.645 -1.560 -4.613 1.00 0.00 C ATOM 1145 O GLN A 71 -8.331 -1.549 -3.591 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.156 -2.608 -6.309 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.479 -1.235 -6.878 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.734 -1.236 -7.728 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -11.822 -1.556 -7.249 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -10.589 -0.877 -8.998 1.00 0.00 N ATOM 0 H GLN A 71 -8.133 -4.115 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.009 -2.563 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.198 -3.344 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.923 -2.882 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.600 -0.526 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.638 -0.888 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.668 -0.619 -9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.398 -0.859 -9.618 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.753 -0.617 -4.897 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.524 0.511 -4.003 1.00 0.00 C ATOM 1161 C ILE A 72 -7.106 1.797 -4.581 1.00 0.00 C ATOM 1162 O ILE A 72 -6.732 2.222 -5.674 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.022 0.717 -3.731 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.405 -0.561 -3.159 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.812 1.885 -2.778 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.895 -0.520 -3.082 1.00 0.00 C ATOM 0 H ILE A 72 -6.177 -0.612 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.026 0.278 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.525 0.948 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.807 -0.734 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.707 -1.408 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.746 2.018 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.221 2.794 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.319 1.681 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.526 -1.458 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.483 -0.378 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.586 0.306 -2.442 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.020 2.411 -3.838 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.651 3.650 -4.275 1.00 0.00 C ATOM 1180 C ILE A 73 -8.493 4.747 -3.227 1.00 0.00 C ATOM 1181 O ILE A 73 -8.847 4.563 -2.063 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.150 3.447 -4.567 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.343 2.354 -5.621 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.782 4.752 -5.027 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.765 1.848 -5.713 1.00 0.00 C ATOM 0 H ILE A 73 -8.340 2.071 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.148 3.953 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.644 3.131 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.040 2.741 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.683 1.518 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.841 4.592 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.671 5.505 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.287 5.096 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.828 1.076 -6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.066 1.430 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.428 2.673 -5.974 1.00 0.00 H new ATOM 1197 N VAL A 74 -7.961 5.889 -3.650 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.759 7.018 -2.749 1.00 0.00 C ATOM 1199 C VAL A 74 -9.015 7.876 -2.653 1.00 0.00 C ATOM 1200 O VAL A 74 -9.507 8.392 -3.657 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.582 7.899 -3.209 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.274 8.964 -2.168 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.355 7.045 -3.489 1.00 0.00 C ATOM 0 H VAL A 74 -7.662 6.057 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.531 6.603 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.866 8.400 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.440 9.577 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.151 9.594 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.010 8.485 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.533 7.684 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.066 6.514 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.585 6.324 -4.273 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.531 8.026 -1.437 1.00 0.00 N ATOM 1214 CA LYS A 75 -10.730 8.823 -1.207 1.00 0.00 C ATOM 1215 C LYS A 75 -10.455 9.943 -0.209 1.00 0.00 C ATOM 1216 O LYS A 75 -9.798 9.733 0.810 1.00 0.00 O ATOM 1217 CB LYS A 75 -11.867 7.936 -0.695 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.320 6.889 -1.697 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.148 5.803 -1.032 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.612 4.761 -2.039 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.565 3.790 -1.433 1.00 0.00 N ATOM 0 H LYS A 75 -9.137 7.606 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.026 9.270 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.544 7.437 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.717 8.565 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.907 7.365 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.449 6.442 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.558 5.320 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.014 6.251 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.089 5.259 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.748 4.225 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.858 3.097 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.102 3.296 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.401 4.298 -1.081 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.870 9.952 -6.885 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.624 10.663 -7.139 1.00 0.00 C ATOM 1327 C ILE A 82 -8.698 9.848 -8.035 1.00 0.00 C ATOM 1328 O ILE A 82 -8.295 10.302 -9.106 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.888 10.995 -5.827 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.802 11.789 -4.891 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.614 11.774 -6.117 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -9.214 12.007 -3.514 1.00 0.00 C ATOM 0 HA ILE A 82 -9.889 11.592 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.616 10.062 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.018 12.757 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.752 11.264 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.105 12.001 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.958 11.176 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.864 12.703 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.916 12.576 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.024 11.043 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.278 12.559 -3.601 1.00 0.00 H new ATOM 1344 N SER A 83 -8.365 8.640 -7.591 1.00 0.00 N ATOM 1345 CA SER A 83 -7.485 7.761 -8.352 1.00 0.00 C ATOM 1346 C SER A 83 -7.658 6.309 -7.916 1.00 0.00 C ATOM 1347 O SER A 83 -8.235 6.031 -6.866 1.00 0.00 O ATOM 1348 CB SER A 83 -6.027 8.188 -8.176 1.00 0.00 C ATOM 1349 OG SER A 83 -5.583 7.952 -6.851 1.00 0.00 O ATOM 0 H SER A 83 -8.692 8.248 -6.708 1.00 0.00 H new ATOM 0 HA SER A 83 -7.755 7.840 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.397 7.640 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.923 9.247 -8.415 1.00 0.00 H new ATOM 0 HG SER A 83 -4.648 8.232 -6.765 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.154 5.389 -8.733 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.254 3.966 -8.432 1.00 0.00 C ATOM 1357 C GLU A 84 -6.164 3.180 -9.155 1.00 0.00 C ATOM 1358 O GLU A 84 -5.485 3.704 -10.039 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.632 3.433 -8.831 1.00 0.00 C ATOM 1360 CG GLU A 84 -8.841 3.350 -10.333 1.00 0.00 C ATOM 1361 CD GLU A 84 -8.388 2.025 -10.913 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -9.096 1.016 -10.711 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -7.326 1.995 -11.569 1.00 0.00 O ATOM 0 H GLU A 84 -6.673 5.603 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.120 3.837 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.768 2.442 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.400 4.076 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.897 3.498 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.295 4.160 -10.817 1.00 0.00 H new ATOM 1370 N THR A 85 -6.001 1.917 -8.772 1.00 0.00 N ATOM 1371 CA THR A 85 -4.993 1.058 -9.382 1.00 0.00 C ATOM 1372 C THR A 85 -5.399 -0.409 -9.301 1.00 0.00 C ATOM 1373 O THR A 85 -6.280 -0.779 -8.523 1.00 0.00 O ATOM 1374 CB THR A 85 -3.620 1.236 -8.706 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.653 0.384 -9.329 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.702 0.918 -7.221 1.00 0.00 C ATOM 0 H THR A 85 -6.554 1.467 -8.043 1.00 0.00 H new ATOM 0 HA THR A 85 -4.917 1.354 -10.428 1.00 0.00 H new ATOM 0 HB THR A 85 -3.315 2.276 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.783 0.504 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.721 1.051 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.417 1.589 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.027 -0.114 -7.087 1.00 0.00 H new ATOM 1384 N THR A 86 -4.752 -1.243 -10.109 1.00 0.00 N ATOM 1385 CA THR A 86 -5.047 -2.670 -10.130 1.00 0.00 C ATOM 1386 C THR A 86 -3.817 -3.491 -9.756 1.00 0.00 C ATOM 1387 O THR A 86 -2.703 -3.186 -10.181 1.00 0.00 O ATOM 1388 CB THR A 86 -5.550 -3.121 -11.514 1.00 0.00 C ATOM 1389 OG1 THR A 86 -4.919 -2.346 -12.540 1.00 0.00 O ATOM 1390 CG2 THR A 86 -7.060 -2.973 -11.616 1.00 0.00 C ATOM 0 H THR A 86 -4.020 -0.954 -10.758 1.00 0.00 H new ATOM 0 HA THR A 86 -5.833 -2.841 -9.394 1.00 0.00 H new ATOM 0 HB THR A 86 -5.295 -4.173 -11.644 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.242 -2.640 -13.417 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.392 -3.298 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.538 -3.586 -10.852 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.334 -1.929 -11.467 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.027 -4.534 -8.960 1.00 0.00 N ATOM 1399 CA VAL A 87 -2.936 -5.400 -8.531 1.00 0.00 C ATOM 1400 C VAL A 87 -3.445 -6.794 -8.183 1.00 0.00 C ATOM 1401 O VAL A 87 -4.539 -6.949 -7.642 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.201 -4.814 -7.310 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.176 -4.566 -6.169 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.077 -5.740 -6.871 1.00 0.00 C ATOM 0 H VAL A 87 -4.943 -4.800 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.239 -5.469 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.762 -3.858 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.639 -4.152 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.942 -3.861 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.646 -5.506 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.568 -5.311 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.490 -6.712 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.366 -5.861 -7.688 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.642 -7.807 -8.496 1.00 0.00 N ATOM 1415 CA GLU A 88 -3.013 -9.189 -8.217 1.00 0.00 C ATOM 1416 C GLU A 88 -2.282 -9.709 -6.983 1.00 0.00 C ATOM 1417 O GLU A 88 -1.055 -9.821 -6.975 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.699 -10.078 -9.422 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.791 -10.080 -10.478 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.307 -10.603 -11.817 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -2.469 -11.529 -11.824 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.765 -10.086 -12.857 1.00 0.00 O ATOM 0 H GLU A 88 -1.732 -7.696 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.085 -9.219 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.766 -9.743 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.537 -11.099 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.624 -10.692 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.171 -9.066 -10.604 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.043 -10.025 -5.941 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.468 -10.534 -4.700 1.00 0.00 C ATOM 1431 C LEU A 89 -1.811 -11.892 -4.920 1.00 0.00 C ATOM 1432 O LEU A 89 -0.865 -12.256 -4.222 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.549 -10.646 -3.623 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.921 -9.347 -2.907 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.241 -9.504 -2.167 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.816 -8.931 -1.948 1.00 0.00 C ATOM 0 H LEU A 89 -4.059 -9.938 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.703 -9.832 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.449 -11.055 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.216 -11.367 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.039 -8.563 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.489 -8.570 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.029 -9.754 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.152 -10.301 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.098 -8.005 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.666 -9.714 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.891 -8.776 -2.504 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.318 -12.637 -5.896 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.780 -13.956 -6.209 1.00 0.00 C ATOM 1450 C TYR A 90 -0.363 -13.849 -6.765 1.00 0.00 C ATOM 1451 O TYR A 90 0.591 -14.340 -6.162 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.682 -14.672 -7.216 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.328 -16.128 -7.417 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -2.193 -16.987 -6.334 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.129 -16.645 -8.692 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.869 -18.318 -6.513 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.806 -17.975 -8.881 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.677 -18.807 -7.789 1.00 0.00 C ATOM 1459 OH TYR A 90 -1.355 -20.132 -7.972 1.00 0.00 O ATOM 0 H TYR A 90 -3.101 -12.350 -6.484 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.746 -14.535 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.716 -14.601 -6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.623 -14.157 -8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.344 -16.608 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.229 -15.996 -9.549 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.767 -18.972 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.655 -18.361 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.255 -20.315 -8.930 1.00 0.00 H new ATOM 1469 N SER A 91 -0.235 -13.202 -7.919 1.00 0.00 N ATOM 1470 CA SER A 91 1.064 -13.032 -8.559 1.00 0.00 C ATOM 1471 C SER A 91 2.024 -12.272 -7.648 1.00 0.00 C ATOM 1472 O SER A 91 3.219 -12.567 -7.602 1.00 0.00 O ATOM 1473 CB SER A 91 0.908 -12.290 -9.888 1.00 0.00 C ATOM 1474 OG SER A 91 0.430 -10.972 -9.682 1.00 0.00 O ATOM 0 H SER A 91 -1.015 -12.787 -8.430 1.00 0.00 H new ATOM 0 HA SER A 91 1.480 -14.021 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.867 -12.256 -10.404 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.218 -12.834 -10.533 1.00 0.00 H new ATOM 0 HG SER A 91 0.340 -10.518 -10.546 1.00 0.00 H new ATOM 1480 N LEU A 92 1.492 -11.293 -6.925 1.00 0.00 N ATOM 1481 CA LEU A 92 2.300 -10.489 -6.014 1.00 0.00 C ATOM 1482 C LEU A 92 3.032 -11.374 -5.011 1.00 0.00 C ATOM 1483 O LEU A 92 4.234 -11.221 -4.794 1.00 0.00 O ATOM 1484 CB LEU A 92 1.419 -9.481 -5.275 1.00 0.00 C ATOM 1485 CG LEU A 92 2.130 -8.585 -4.261 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.291 -7.853 -4.917 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.153 -7.594 -3.646 1.00 0.00 C ATOM 0 H LEU A 92 0.505 -11.037 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 92 3.042 -9.950 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.932 -8.844 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.631 -10.028 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 92 2.527 -9.215 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.785 -7.220 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.004 -8.579 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.917 -7.235 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.677 -6.965 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.726 -6.970 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.355 -8.137 -3.139 1.00 0.00 H new ATOM 1499 N ALA A 93 2.300 -12.301 -4.402 1.00 0.00 N ATOM 1500 CA ALA A 93 2.881 -13.214 -3.425 1.00 0.00 C ATOM 1501 C ALA A 93 4.057 -13.980 -4.021 1.00 0.00 C ATOM 1502 O ALA A 93 4.948 -14.426 -3.298 1.00 0.00 O ATOM 1503 CB ALA A 93 1.824 -14.180 -2.912 1.00 0.00 C ATOM 0 H ALA A 93 1.303 -12.440 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 93 3.253 -12.623 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.272 -14.856 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.017 -13.619 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.424 -14.758 -3.745 1.00 0.00 H new ATOM 1509 N GLU A 94 4.052 -14.129 -5.341 1.00 0.00 N ATOM 1510 CA GLU A 94 5.119 -14.844 -6.033 1.00 0.00 C ATOM 1511 C GLU A 94 6.220 -13.883 -6.474 1.00 0.00 C ATOM 1512 O GLU A 94 7.381 -14.271 -6.604 1.00 0.00 O ATOM 1513 CB GLU A 94 4.561 -15.589 -7.247 1.00 0.00 C ATOM 1514 CG GLU A 94 3.537 -16.654 -6.889 1.00 0.00 C ATOM 1515 CD GLU A 94 4.171 -18.005 -6.619 1.00 0.00 C ATOM 1516 OE1 GLU A 94 4.541 -18.263 -5.454 1.00 0.00 O ATOM 1517 OE2 GLU A 94 4.298 -18.803 -7.570 1.00 0.00 O ATOM 0 H GLU A 94 3.322 -13.765 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 94 5.547 -15.567 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.103 -14.869 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.385 -16.056 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.980 -16.336 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.818 -16.750 -7.703 1.00 0.00 H new ATOM 1524 N ARG A 95 5.846 -12.629 -6.703 1.00 0.00 N ATOM 1525 CA ARG A 95 6.800 -11.613 -7.131 1.00 0.00 C ATOM 1526 C ARG A 95 7.814 -11.321 -6.029 1.00 0.00 C ATOM 1527 O ARG A 95 8.968 -10.990 -6.305 1.00 0.00 O ATOM 1528 CB ARG A 95 6.068 -10.327 -7.520 1.00 0.00 C ATOM 1529 CG ARG A 95 5.676 -10.270 -8.987 1.00 0.00 C ATOM 1530 CD ARG A 95 5.048 -8.932 -9.344 1.00 0.00 C ATOM 1531 NE ARG A 95 4.258 -9.007 -10.570 1.00 0.00 N ATOM 1532 CZ ARG A 95 4.784 -8.952 -11.788 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.094 -8.821 -11.943 1.00 0.00 N ATOM 1534 NH2 ARG A 95 3.999 -9.027 -12.855 1.00 0.00 N ATOM 0 H ARG A 95 4.889 -12.292 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 95 7.335 -11.995 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.171 -10.231 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.704 -9.473 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.557 -10.437 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.974 -11.074 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.412 -8.600 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.832 -8.184 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 95 3.246 -9.107 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.701 -8.762 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.495 -8.779 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.990 -9.127 -12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.404 -8.985 -13.790 1.00 0.00 H new ATOM 1548 N CYS A 96 7.375 -11.444 -4.781 1.00 0.00 N ATOM 1549 CA CYS A 96 8.244 -11.191 -3.637 1.00 0.00 C ATOM 1550 C CYS A 96 9.349 -12.239 -3.551 1.00 0.00 C ATOM 1551 O CYS A 96 10.509 -11.913 -3.299 1.00 0.00 O ATOM 1552 CB CYS A 96 7.429 -11.185 -2.343 1.00 0.00 C ATOM 1553 SG CYS A 96 5.942 -10.158 -2.411 1.00 0.00 S ATOM 0 H CYS A 96 6.423 -11.717 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 96 8.706 -10.213 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.140 -12.208 -2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.063 -10.834 -1.529 1.00 0.00 H new ATOM 0 HG CYS A 96 5.186 -10.553 -3.392 1.00 0.00 H new ATOM 1559 N ARG A 97 8.980 -13.498 -3.762 1.00 0.00 N ATOM 1560 CA ARG A 97 9.940 -14.595 -3.706 1.00 0.00 C ATOM 1561 C ARG A 97 11.078 -14.372 -4.697 1.00 0.00 C ATOM 1562 O ARG A 97 12.210 -14.797 -4.465 1.00 0.00 O ATOM 1563 CB ARG A 97 9.244 -15.925 -4.001 1.00 0.00 C ATOM 1564 CG ARG A 97 8.023 -16.180 -3.133 1.00 0.00 C ATOM 1565 CD ARG A 97 7.601 -17.640 -3.180 1.00 0.00 C ATOM 1566 NE ARG A 97 7.423 -18.115 -4.549 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.391 -19.400 -4.883 1.00 0.00 C ATOM 1568 NH1 ARG A 97 7.524 -20.334 -3.952 1.00 0.00 N ATOM 1569 NH2 ARG A 97 7.225 -19.753 -6.152 1.00 0.00 N ATOM 0 H ARG A 97 8.024 -13.784 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 97 10.359 -14.628 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.944 -15.944 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.956 -16.737 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.241 -15.896 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.199 -15.551 -3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.352 -18.251 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.669 -17.766 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 97 7.317 -17.422 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.651 -20.067 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.499 -21.320 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.122 -19.037 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.201 -20.740 -6.408 1.00 0.00 H new ATOM 1583 N LYS A 98 10.770 -13.705 -5.804 1.00 0.00 N ATOM 1584 CA LYS A 98 11.766 -13.425 -6.831 1.00 0.00 C ATOM 1585 C LYS A 98 12.859 -12.507 -6.294 1.00 0.00 C ATOM 1586 O LYS A 98 13.985 -12.511 -6.790 1.00 0.00 O ATOM 1587 CB LYS A 98 11.102 -12.785 -8.053 1.00 0.00 C ATOM 1588 CG LYS A 98 9.819 -13.476 -8.480 1.00 0.00 C ATOM 1589 CD LYS A 98 9.418 -13.084 -9.892 1.00 0.00 C ATOM 1590 CE LYS A 98 9.163 -11.588 -10.004 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.385 -10.848 -10.424 1.00 0.00 N ATOM 0 H LYS A 98 9.838 -13.348 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 98 12.223 -14.370 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.886 -11.740 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.805 -12.796 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.951 -14.557 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.018 -13.217 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.205 -13.373 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.520 -13.630 -10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.364 -11.408 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.819 -11.205 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.611 -10.121 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.182 -11.511 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.217 -10.394 -11.344 1.00 0.00 H new ATOM 1605 N ASN A 99 12.519 -11.723 -5.276 1.00 0.00 N ATOM 1606 CA ASN A 99 13.473 -10.800 -4.670 1.00 0.00 C ATOM 1607 C ASN A 99 14.129 -11.424 -3.443 1.00 0.00 C ATOM 1608 O ASN A 99 14.577 -10.719 -2.540 1.00 0.00 O ATOM 1609 CB ASN A 99 12.775 -9.495 -4.282 1.00 0.00 C ATOM 1610 CG ASN A 99 12.720 -8.505 -5.429 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.335 -7.439 -5.373 1.00 0.00 O ATOM 1612 ND2 ASN A 99 11.982 -8.853 -6.476 1.00 0.00 N ATOM 0 H ASN A 99 11.591 -11.708 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 99 14.249 -10.584 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.761 -9.714 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.299 -9.042 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.907 -8.227 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.490 -9.746 -6.479 1.00 0.00 H new ATOM 1619 N ASN A 100 14.182 -12.752 -3.418 1.00 0.00 N ATOM 1620 CA ASN A 100 14.784 -13.472 -2.301 1.00 0.00 C ATOM 1621 C ASN A 100 14.080 -13.131 -0.991 1.00 0.00 C ATOM 1622 O ASN A 100 14.678 -13.195 0.082 1.00 0.00 O ATOM 1623 CB ASN A 100 16.273 -13.138 -2.195 1.00 0.00 C ATOM 1624 CG ASN A 100 17.125 -13.996 -3.110 1.00 0.00 C ATOM 1625 OD1 ASN A 100 16.626 -14.587 -4.068 1.00 0.00 O ATOM 1626 ND2 ASN A 100 18.418 -14.070 -2.817 1.00 0.00 N ATOM 0 H ASN A 100 13.816 -13.351 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 100 14.671 -14.540 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.425 -12.087 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.601 -13.275 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.041 -14.634 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.789 -13.563 -2.013 1.00 0.00 H new ATOM 1633 N GLY A 101 12.805 -12.767 -1.088 1.00 0.00 N ATOM 1634 CA GLY A 101 12.040 -12.422 0.096 1.00 0.00 C ATOM 1635 C GLY A 101 10.933 -11.428 -0.199 1.00 0.00 C ATOM 1636 O GLY A 101 9.781 -11.813 -0.401 1.00 0.00 O ATOM 0 H GLY A 101 12.288 -12.705 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.607 -13.327 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.709 -12.004 0.848 1.00 0.00 H new ATOM 1640 N LYS A 102 11.281 -10.146 -0.221 1.00 0.00 N ATOM 1641 CA LYS A 102 10.309 -9.094 -0.492 1.00 0.00 C ATOM 1642 C LYS A 102 10.723 -8.271 -1.708 1.00 0.00 C ATOM 1643 O LYS A 102 11.910 -8.030 -1.933 1.00 0.00 O ATOM 1644 CB LYS A 102 10.161 -8.181 0.728 1.00 0.00 C ATOM 1645 CG LYS A 102 11.456 -7.502 1.140 1.00 0.00 C ATOM 1646 CD LYS A 102 11.196 -6.143 1.769 1.00 0.00 C ATOM 1647 CE LYS A 102 12.431 -5.257 1.709 1.00 0.00 C ATOM 1648 NZ LYS A 102 12.154 -3.885 2.219 1.00 0.00 N ATOM 0 H LYS A 102 12.230 -9.810 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 102 9.350 -9.566 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.413 -7.418 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.785 -8.767 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.991 -8.135 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.099 -7.384 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.370 -5.654 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.890 -6.274 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.231 -5.708 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.786 -5.197 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.020 -3.312 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.409 -3.444 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.840 -3.939 3.209 1.00 0.00 H new ATOM 1662 N THR A 103 9.737 -7.840 -2.489 1.00 0.00 N ATOM 1663 CA THR A 103 9.999 -7.044 -3.681 1.00 0.00 C ATOM 1664 C THR A 103 9.313 -5.685 -3.597 1.00 0.00 C ATOM 1665 O THR A 103 8.197 -5.575 -3.091 1.00 0.00 O ATOM 1666 CB THR A 103 9.524 -7.768 -4.955 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.939 -7.039 -6.116 1.00 0.00 O ATOM 1668 CG2 THR A 103 8.011 -7.920 -4.959 1.00 0.00 C ATOM 0 H THR A 103 8.750 -8.029 -2.317 1.00 0.00 H new ATOM 0 HA THR A 103 11.078 -6.900 -3.734 1.00 0.00 H new ATOM 0 HB THR A 103 9.973 -8.761 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.635 -7.506 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.699 -8.434 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.701 -8.500 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.546 -6.935 -4.922 1.00 0.00 H new ATOM 1676 N GLU A 104 9.988 -4.655 -4.096 1.00 0.00 N ATOM 1677 CA GLU A 104 9.442 -3.303 -4.076 1.00 0.00 C ATOM 1678 C GLU A 104 8.790 -2.960 -5.413 1.00 0.00 C ATOM 1679 O GLU A 104 9.405 -3.103 -6.470 1.00 0.00 O ATOM 1680 CB GLU A 104 10.542 -2.289 -3.757 1.00 0.00 C ATOM 1681 CG GLU A 104 10.856 -2.177 -2.275 1.00 0.00 C ATOM 1682 CD GLU A 104 11.796 -1.029 -1.962 1.00 0.00 C ATOM 1683 OE1 GLU A 104 11.701 0.017 -2.638 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.626 -1.177 -1.040 1.00 0.00 O ATOM 0 H GLU A 104 10.913 -4.730 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 104 8.680 -3.258 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.449 -2.570 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.242 -1.310 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.928 -2.043 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.301 -3.110 -1.930 1.00 0.00 H new ATOM 1691 N ILE A 105 7.543 -2.506 -5.357 1.00 0.00 N ATOM 1692 CA ILE A 105 6.808 -2.142 -6.562 1.00 0.00 C ATOM 1693 C ILE A 105 6.163 -0.768 -6.419 1.00 0.00 C ATOM 1694 O ILE A 105 5.574 -0.453 -5.385 1.00 0.00 O ATOM 1695 CB ILE A 105 5.716 -3.178 -6.891 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.336 -4.564 -7.074 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.952 -2.764 -8.140 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.335 -5.693 -6.965 1.00 0.00 C ATOM 0 H ILE A 105 7.020 -2.381 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 105 7.531 -2.118 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 105 5.015 -3.222 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.819 -4.611 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 105 7.115 -4.706 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.184 -3.506 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.483 -1.794 -7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.641 -2.695 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.845 -6.646 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.869 -5.672 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.569 -5.575 -7.731 1.00 0.00 H new ATOM 1710 N TRP A 106 6.277 0.045 -7.463 1.00 0.00 N ATOM 1711 CA TRP A 106 5.703 1.385 -7.454 1.00 0.00 C ATOM 1712 C TRP A 106 4.346 1.401 -8.149 1.00 0.00 C ATOM 1713 O TRP A 106 4.261 1.265 -9.371 1.00 0.00 O ATOM 1714 CB TRP A 106 6.650 2.373 -8.137 1.00 0.00 C ATOM 1715 CG TRP A 106 7.750 2.857 -7.240 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.982 2.292 -7.075 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.715 4.005 -6.385 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.715 3.019 -6.168 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.960 4.075 -5.731 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.753 4.981 -6.109 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 9.266 5.082 -4.819 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 7.059 5.979 -5.204 1.00 0.00 C ATOM 1723 CH2 TRP A 106 8.306 6.024 -4.568 1.00 0.00 C ATOM 0 H TRP A 106 6.762 -0.200 -8.326 1.00 0.00 H new ATOM 0 HA TRP A 106 5.563 1.685 -6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.089 1.898 -9.014 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.076 3.229 -8.492 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.329 1.404 -7.583 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.667 2.807 -5.869 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.788 4.955 -6.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 10.227 5.118 -4.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 6.323 6.738 -4.983 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.514 6.818 -3.866 1.00 0.00 H new ATOM 1734 N LEU A 107 3.286 1.568 -7.366 1.00 0.00 N ATOM 1735 CA LEU A 107 1.932 1.602 -7.907 1.00 0.00 C ATOM 1736 C LEU A 107 1.710 2.859 -8.741 1.00 0.00 C ATOM 1737 O LEU A 107 2.265 3.917 -8.445 1.00 0.00 O ATOM 1738 CB LEU A 107 0.907 1.540 -6.773 1.00 0.00 C ATOM 1739 CG LEU A 107 0.865 0.236 -5.976 1.00 0.00 C ATOM 1740 CD1 LEU A 107 0.008 0.399 -4.730 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.341 -0.901 -6.840 1.00 0.00 C ATOM 0 H LEU A 107 3.338 1.682 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 107 1.803 0.733 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.110 2.358 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.083 1.717 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 107 1.880 -0.009 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.010 -0.539 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.427 1.184 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.008 0.669 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.318 -1.821 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.666 -0.663 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.995 -1.034 -7.702 1.00 0.00 H new ATOM 1753 N GLU A 108 0.894 2.736 -9.783 1.00 0.00 N ATOM 1754 CA GLU A 108 0.598 3.864 -10.658 1.00 0.00 C ATOM 1755 C GLU A 108 -0.900 4.156 -10.681 1.00 0.00 C ATOM 1756 O GLU A 108 -1.644 3.582 -11.478 1.00 0.00 O ATOM 1757 CB GLU A 108 1.095 3.581 -12.077 1.00 0.00 C ATOM 1758 CG GLU A 108 2.520 3.056 -12.129 1.00 0.00 C ATOM 1759 CD GLU A 108 3.103 3.086 -13.529 1.00 0.00 C ATOM 1760 OE1 GLU A 108 2.807 4.045 -14.273 1.00 0.00 O ATOM 1761 OE2 GLU A 108 3.853 2.152 -13.880 1.00 0.00 O ATOM 0 H GLU A 108 0.426 1.867 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 108 1.116 4.740 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.432 2.855 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.032 4.497 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.147 3.652 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.540 2.033 -11.753 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.335 5.052 -9.803 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.744 5.422 -9.721 1.00 0.00 C ATOM 1770 C LEU A 109 -3.123 6.376 -10.849 1.00 0.00 C ATOM 1771 O LEU A 109 -2.403 7.332 -11.137 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.044 6.069 -8.368 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.403 5.405 -7.149 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.541 6.294 -5.923 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -3.027 4.041 -6.895 1.00 0.00 C ATOM 0 H LEU A 109 -0.733 5.536 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.339 4.514 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.717 7.108 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.124 6.080 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.341 5.264 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.079 5.805 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.046 7.247 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.597 6.468 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.559 3.583 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.095 4.158 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.875 3.403 -7.766 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.260 6.110 -11.484 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.738 6.946 -12.579 1.00 0.00 C ATOM 1789 C LYS A 110 -6.084 7.575 -12.236 1.00 0.00 C ATOM 1790 O LYS A 110 -6.824 7.095 -11.376 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.861 6.121 -13.862 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.546 5.946 -14.601 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.767 5.732 -16.090 1.00 0.00 C ATOM 1794 CE LYS A 110 -2.569 5.056 -16.739 1.00 0.00 C ATOM 1795 NZ LYS A 110 -1.407 5.980 -16.856 1.00 0.00 N ATOM 0 H LYS A 110 -4.867 5.322 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.013 7.745 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.263 5.138 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.580 6.602 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.922 6.826 -14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.005 5.095 -14.187 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.657 5.122 -16.243 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.951 6.691 -16.573 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.282 4.184 -16.152 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.848 4.696 -17.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.611 5.482 -17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.673 6.800 -17.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.125 6.304 -15.909 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.416 8.677 -12.923 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.639 9.354 -13.966 1.00 0.00 C ATOM 1811 C PRO A 111 -4.395 10.039 -13.410 1.00 0.00 C ATOM 1812 O PRO A 111 -3.470 10.362 -14.154 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.618 10.392 -14.520 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.568 10.652 -13.403 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.699 9.352 -12.659 1.00 0.00 C ATOM 0 HA PRO A 111 -5.268 8.655 -14.716 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.101 11.303 -14.820 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.137 10.016 -15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.195 11.440 -12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.535 10.984 -13.782 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.856 9.513 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.544 8.765 -13.021 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.381 10.256 -12.099 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.250 10.902 -11.444 1.00 0.00 C ATOM 1825 C GLN A 112 -3.040 10.343 -10.041 1.00 0.00 C ATOM 1826 O GLN A 112 -3.999 10.088 -9.314 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.470 12.415 -11.375 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.791 12.809 -10.736 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.773 14.220 -10.182 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -4.802 14.423 -8.967 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.725 15.205 -11.071 1.00 0.00 N ATOM 0 H GLN A 112 -5.140 9.994 -11.470 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.356 10.698 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.654 12.867 -10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.427 12.826 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.588 12.723 -11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -5.024 12.110 -9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.702 14.991 -12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.711 16.175 -10.757 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.778 10.154 -9.667 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.466 9.625 -8.353 1.00 0.00 C ATOM 1842 C GLY A 113 -0.481 8.474 -8.410 1.00 0.00 C ATOM 1843 O GLY A 113 -0.447 7.725 -9.386 1.00 0.00 O ATOM 0 H GLY A 113 -0.967 10.358 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.054 10.421 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.385 9.289 -7.872 1.00 0.00 H new ATOM 1847 N ARG A 114 0.325 8.334 -7.362 1.00 0.00 N ATOM 1848 CA ARG A 114 1.317 7.268 -7.298 1.00 0.00 C ATOM 1849 C ARG A 114 1.760 7.022 -5.859 1.00 0.00 C ATOM 1850 O ARG A 114 2.005 7.964 -5.105 1.00 0.00 O ATOM 1851 CB ARG A 114 2.529 7.618 -8.163 1.00 0.00 C ATOM 1852 CG ARG A 114 3.327 8.802 -7.643 1.00 0.00 C ATOM 1853 CD ARG A 114 4.141 9.456 -8.749 1.00 0.00 C ATOM 1854 NE ARG A 114 5.471 8.865 -8.872 1.00 0.00 N ATOM 1855 CZ ARG A 114 6.427 9.010 -7.962 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.201 9.722 -6.866 1.00 0.00 N ATOM 1857 NH2 ARG A 114 7.611 8.441 -8.145 1.00 0.00 N ATOM 0 H ARG A 114 0.310 8.946 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 114 0.858 6.356 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.184 6.749 -8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.191 7.835 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.649 9.536 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.994 8.471 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.611 9.357 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.236 10.523 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 114 5.677 8.310 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.291 10.160 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.937 9.832 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.788 7.891 -8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.344 8.553 -7.445 1.00 0.00 H new ATOM 1871 N MET A 115 1.860 5.751 -5.485 1.00 0.00 N ATOM 1872 CA MET A 115 2.274 5.382 -4.136 1.00 0.00 C ATOM 1873 C MET A 115 3.207 4.176 -4.164 1.00 0.00 C ATOM 1874 O MET A 115 3.158 3.362 -5.087 1.00 0.00 O ATOM 1875 CB MET A 115 1.051 5.075 -3.270 1.00 0.00 C ATOM 1876 CG MET A 115 0.162 3.981 -3.839 1.00 0.00 C ATOM 1877 SD MET A 115 -1.120 3.457 -2.685 1.00 0.00 S ATOM 1878 CE MET A 115 -1.995 4.998 -2.429 1.00 0.00 C ATOM 0 H MET A 115 1.660 4.959 -6.096 1.00 0.00 H new ATOM 0 HA MET A 115 2.813 6.226 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.385 4.779 -2.275 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.463 5.985 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.305 4.338 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.777 3.122 -4.108 1.00 0.00 H new ATOM 0 HE1 MET A 115 -1.944 5.275 -1.376 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.536 5.781 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 115 -3.038 4.877 -2.723 1.00 0.00 H new ATOM 1888 N LEU A 116 4.057 4.067 -3.149 1.00 0.00 N ATOM 1889 CA LEU A 116 5.002 2.959 -3.058 1.00 0.00 C ATOM 1890 C LEU A 116 4.373 1.764 -2.349 1.00 0.00 C ATOM 1891 O LEU A 116 3.780 1.905 -1.279 1.00 0.00 O ATOM 1892 CB LEU A 116 6.265 3.400 -2.316 1.00 0.00 C ATOM 1893 CG LEU A 116 7.295 2.306 -2.035 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.665 1.579 -3.319 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.535 2.896 -1.379 1.00 0.00 C ATOM 0 H LEU A 116 4.111 4.732 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 116 5.270 2.658 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.748 4.185 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.968 3.844 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 116 6.852 1.585 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.399 0.804 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.773 1.123 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.088 2.289 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.257 2.103 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.979 3.638 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.258 3.371 -0.438 1.00 0.00 H new ATOM 1907 N MET A 117 4.508 0.587 -2.951 1.00 0.00 N ATOM 1908 CA MET A 117 3.956 -0.634 -2.375 1.00 0.00 C ATOM 1909 C MET A 117 5.064 -1.629 -2.046 1.00 0.00 C ATOM 1910 O MET A 117 5.797 -2.071 -2.930 1.00 0.00 O ATOM 1911 CB MET A 117 2.954 -1.270 -3.340 1.00 0.00 C ATOM 1912 CG MET A 117 2.108 -2.362 -2.705 1.00 0.00 C ATOM 1913 SD MET A 117 1.101 -3.249 -3.908 1.00 0.00 S ATOM 1914 CE MET A 117 2.368 -4.072 -4.870 1.00 0.00 C ATOM 0 H MET A 117 4.995 0.453 -3.837 1.00 0.00 H new ATOM 0 HA MET A 117 3.442 -0.370 -1.450 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.296 -0.494 -3.732 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.495 -1.688 -4.189 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.760 -3.069 -2.191 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.459 -1.920 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.954 -4.974 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.720 -3.403 -5.656 1.00 0.00 H new ATOM 0 HE3 MET A 117 3.202 -4.340 -4.221 1.00 0.00 H new ATOM 1924 N ASN A 118 5.181 -1.977 -0.768 1.00 0.00 N ATOM 1925 CA ASN A 118 6.201 -2.919 -0.323 1.00 0.00 C ATOM 1926 C ASN A 118 5.564 -4.205 0.196 1.00 0.00 C ATOM 1927 O ASN A 118 5.018 -4.239 1.298 1.00 0.00 O ATOM 1928 CB ASN A 118 7.065 -2.288 0.771 1.00 0.00 C ATOM 1929 CG ASN A 118 7.546 -0.899 0.398 1.00 0.00 C ATOM 1930 OD1 ASN A 118 7.490 0.027 1.207 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.023 -0.749 -0.832 1.00 0.00 N ATOM 0 H ASN A 118 4.582 -1.621 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 118 6.831 -3.165 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.492 -2.235 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.926 -2.928 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.362 0.162 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.050 -1.545 -1.469 1.00 0.00 H new ATOM 1938 N ALA A 119 5.638 -5.261 -0.608 1.00 0.00 N ATOM 1939 CA ALA A 119 5.071 -6.550 -0.229 1.00 0.00 C ATOM 1940 C ALA A 119 6.149 -7.489 0.301 1.00 0.00 C ATOM 1941 O ALA A 119 7.134 -7.769 -0.382 1.00 0.00 O ATOM 1942 CB ALA A 119 4.357 -7.181 -1.415 1.00 0.00 C ATOM 0 H ALA A 119 6.085 -5.249 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 119 4.348 -6.381 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.939 -8.143 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.554 -6.523 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.066 -7.330 -2.229 1.00 0.00 H new ATOM 1948 N ARG A 120 5.957 -7.972 1.524 1.00 0.00 N ATOM 1949 CA ARG A 120 6.914 -8.879 2.147 1.00 0.00 C ATOM 1950 C ARG A 120 6.338 -10.288 2.254 1.00 0.00 C ATOM 1951 O ARG A 120 5.124 -10.480 2.185 1.00 0.00 O ATOM 1952 CB ARG A 120 7.302 -8.368 3.536 1.00 0.00 C ATOM 1953 CG ARG A 120 8.168 -7.119 3.506 1.00 0.00 C ATOM 1954 CD ARG A 120 8.559 -6.678 4.908 1.00 0.00 C ATOM 1955 NE ARG A 120 9.251 -5.393 4.904 1.00 0.00 N ATOM 1956 CZ ARG A 120 8.640 -4.229 4.709 1.00 0.00 C ATOM 1957 NH1 ARG A 120 7.331 -4.191 4.504 1.00 0.00 N ATOM 1958 NH2 ARG A 120 9.339 -3.101 4.720 1.00 0.00 N ATOM 0 H ARG A 120 5.147 -7.750 2.103 1.00 0.00 H new ATOM 0 HA ARG A 120 7.804 -8.916 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.395 -8.157 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.834 -9.156 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.067 -7.312 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.629 -6.313 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.665 -6.607 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.201 -7.434 5.360 1.00 0.00 H new ATOM 0 HE ARG A 120 10.259 -5.388 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.791 -5.056 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.864 -3.297 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.346 -3.127 4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.869 -2.208 4.570 1.00 0.00 H new ATOM 1972 N TYR A 121 7.217 -11.269 2.423 1.00 0.00 N ATOM 1973 CA TYR A 121 6.797 -12.661 2.536 1.00 0.00 C ATOM 1974 C TYR A 121 6.960 -13.164 3.967 1.00 0.00 C ATOM 1975 O TYR A 121 8.076 -13.383 4.438 1.00 0.00 O ATOM 1976 CB TYR A 121 7.606 -13.539 1.580 1.00 0.00 C ATOM 1977 CG TYR A 121 6.901 -14.818 1.190 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.951 -14.831 0.177 1.00 0.00 C ATOM 1979 CD2 TYR A 121 7.187 -16.016 1.835 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.304 -15.997 -0.182 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.546 -17.188 1.482 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.605 -17.173 0.474 1.00 0.00 C ATOM 1983 OH TYR A 121 4.964 -18.338 0.118 1.00 0.00 O ATOM 0 H TYR A 121 8.225 -11.126 2.485 1.00 0.00 H new ATOM 0 HA TYR A 121 5.742 -12.719 2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.831 -12.969 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.559 -13.787 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.714 -13.913 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.923 -16.031 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.567 -15.988 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.781 -18.110 1.992 1.00 0.00 H new ATOM 0 HH TYR A 121 5.291 -19.075 0.675 1.00 0.00 H new ATOM 1993 N PHE A 122 5.837 -13.345 4.654 1.00 0.00 N ATOM 1994 CA PHE A 122 5.852 -13.822 6.032 1.00 0.00 C ATOM 1995 C PHE A 122 4.781 -14.887 6.251 1.00 0.00 C ATOM 1996 O PHE A 122 3.731 -14.869 5.607 1.00 0.00 O ATOM 1997 CB PHE A 122 5.636 -12.657 7.000 1.00 0.00 C ATOM 1998 CG PHE A 122 6.700 -11.601 6.915 1.00 0.00 C ATOM 1999 CD1 PHE A 122 8.039 -11.938 7.035 1.00 0.00 C ATOM 2000 CD2 PHE A 122 6.363 -10.273 6.715 1.00 0.00 C ATOM 2001 CE1 PHE A 122 9.021 -10.968 6.958 1.00 0.00 C ATOM 2002 CE2 PHE A 122 7.340 -9.299 6.637 1.00 0.00 C ATOM 2003 CZ PHE A 122 8.671 -9.647 6.757 1.00 0.00 C ATOM 0 H PHE A 122 4.905 -13.169 4.279 1.00 0.00 H new ATOM 0 HA PHE A 122 6.827 -14.269 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.667 -12.202 6.797 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.600 -13.044 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.318 -12.970 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.324 -9.995 6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 122 10.061 -11.243 7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.063 -8.267 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 122 9.437 -8.888 6.694 1.00 0.00 H new ATOM 2013 N LEU A 123 5.053 -15.812 7.164 1.00 0.00 N ATOM 2014 CA LEU A 123 4.114 -16.886 7.469 1.00 0.00 C ATOM 2015 C LEU A 123 3.412 -16.633 8.800 1.00 0.00 C ATOM 2016 O LEU A 123 3.795 -15.740 9.554 1.00 0.00 O ATOM 2017 CB LEU A 123 4.841 -18.231 7.511 1.00 0.00 C ATOM 2018 CG LEU A 123 4.740 -19.088 6.249 1.00 0.00 C ATOM 2019 CD1 LEU A 123 5.833 -18.715 5.260 1.00 0.00 C ATOM 2020 CD2 LEU A 123 4.818 -20.566 6.600 1.00 0.00 C ATOM 0 H LEU A 123 5.916 -15.840 7.706 1.00 0.00 H new ATOM 0 HA LEU A 123 3.362 -16.912 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.895 -18.045 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.449 -18.807 8.349 1.00 0.00 H new ATOM 0 HG LEU A 123 3.775 -18.897 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.744 -19.336 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.731 -17.666 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.809 -18.876 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.744 -21.161 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.768 -20.773 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 123 3.998 -20.825 7.270 1.00 0.00 H new