USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -7.03! C(o=-8.6!,f=-12!) USER MOD Set 1.2: A 108 GLN : amide:sc= -1.54! K(o=-8.6!,f=-5.1) USER MOD Set 2.1: A 45 SER OG : rot 50:sc= -4.62! USER MOD Set 2.2: A 95 ASN : amide:sc= -12.7! C(o=-17!,f=-30!) USER MOD Set 3.1: A 18 ASN : amide:sc= -2.46 K(o=-6.3,f=-1.1) USER MOD Set 3.2: A 43 ASN : amide:sc= -3.86! K(o=-6.3!,f=-1.1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.72 K(o=-1.7,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.95) USER MOD Single : A 48 THR OG1 : rot -4:sc= -1.55! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -139:sc= -0.356 (180deg=-1.71!) USER MOD Single : A 59 HIS : no HE2:sc= -5.82! C(o=-5.8!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-5.5!) USER MOD Single : A 66 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.3) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.000426 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -9.02! C(o=-9!,f=-11!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 27:sc= 0.226 USER MOD Single : A 78 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -109:sc= 0.51 USER MOD Single : A 88 SER OG : rot -121:sc= -0.431 USER MOD Single : A 92 MET CE :methyl -128:sc= -6.34 (180deg=-12.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -161:sc= 1.08 USER MOD Single : A 103 SER OG : rot -130:sc= -0.233 USER MOD Single : A 106 SER OG : rot -110:sc= -0.0269 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.559 -11.338 -6.784 1.00 0.00 N ATOM 133 CA VAL A 13 -27.319 -9.905 -6.805 1.00 0.00 C ATOM 134 C VAL A 13 -25.828 -9.639 -6.592 1.00 0.00 C ATOM 135 O VAL A 13 -25.211 -10.221 -5.701 1.00 0.00 O ATOM 136 CB VAL A 13 -28.205 -9.211 -5.768 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.415 -7.738 -6.125 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.544 -9.936 -5.617 1.00 0.00 C ATOM 0 HA VAL A 13 -27.588 -9.486 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.692 -9.253 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.048 -7.268 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.451 -7.230 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.896 -7.665 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.154 -9.422 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.065 -9.941 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.368 -10.962 -5.295 1.00 0.00 H new ATOM 148 N TYR A 14 -25.292 -8.759 -7.424 1.00 0.00 N ATOM 149 CA TYR A 14 -23.884 -8.408 -7.338 1.00 0.00 C ATOM 150 C TYR A 14 -23.708 -6.928 -6.991 1.00 0.00 C ATOM 151 O TYR A 14 -24.675 -6.245 -6.659 1.00 0.00 O ATOM 152 CB TYR A 14 -23.299 -8.667 -8.728 1.00 0.00 C ATOM 153 CG TYR A 14 -23.744 -9.991 -9.353 1.00 0.00 C ATOM 154 CD1 TYR A 14 -23.021 -11.142 -9.119 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.869 -10.033 -10.152 1.00 0.00 C ATOM 156 CE1 TYR A 14 -23.439 -12.388 -9.708 1.00 0.00 C ATOM 157 CE2 TYR A 14 -25.288 -11.279 -10.741 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.552 -12.395 -10.490 1.00 0.00 C ATOM 159 OH TYR A 14 -24.948 -13.571 -11.046 1.00 0.00 O ATOM 0 H TYR A 14 -25.807 -8.278 -8.161 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.390 -8.991 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.586 -7.850 -9.390 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.211 -8.656 -8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.141 -11.109 -8.494 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.435 -9.132 -10.335 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.881 -13.296 -9.533 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -26.166 -11.326 -11.368 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.758 -13.425 -11.578 1.00 0.00 H new ATOM 169 N ASP A 15 -22.466 -6.477 -7.081 1.00 0.00 N ATOM 170 CA ASP A 15 -22.150 -5.090 -6.781 1.00 0.00 C ATOM 171 C ASP A 15 -20.649 -4.960 -6.513 1.00 0.00 C ATOM 172 O ASP A 15 -20.243 -4.424 -5.484 1.00 0.00 O ATOM 173 CB ASP A 15 -22.896 -4.613 -5.533 1.00 0.00 C ATOM 174 CG ASP A 15 -24.204 -3.869 -5.807 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.204 -3.049 -6.750 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.175 -4.136 -5.066 1.00 0.00 O ATOM 0 H ASP A 15 -21.666 -7.047 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.451 -4.483 -7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.112 -5.477 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.237 -3.960 -4.961 1.00 0.00 H new ATOM 181 N VAL A 16 -19.867 -5.459 -7.459 1.00 0.00 N ATOM 182 CA VAL A 16 -18.420 -5.404 -7.338 1.00 0.00 C ATOM 183 C VAL A 16 -18.006 -5.937 -5.965 1.00 0.00 C ATOM 184 O VAL A 16 -18.828 -6.018 -5.053 1.00 0.00 O ATOM 185 CB VAL A 16 -17.926 -3.980 -7.600 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.249 -3.542 -9.030 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.511 -3.001 -6.581 1.00 0.00 C ATOM 0 H VAL A 16 -20.208 -5.903 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.950 -6.040 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.842 -3.975 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.887 -2.526 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.763 -4.216 -9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.328 -3.571 -9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.144 -1.996 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.599 -3.012 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.208 -3.297 -5.577 1.00 0.00 H new ATOM 197 N PRO A 17 -16.699 -6.297 -5.858 1.00 0.00 N ATOM 198 CA PRO A 17 -16.167 -6.820 -4.611 1.00 0.00 C ATOM 199 C PRO A 17 -15.979 -5.702 -3.583 1.00 0.00 C ATOM 200 O PRO A 17 -15.245 -4.746 -3.827 1.00 0.00 O ATOM 201 CB PRO A 17 -14.862 -7.499 -4.994 1.00 0.00 C ATOM 202 CG PRO A 17 -14.481 -6.933 -6.353 1.00 0.00 C ATOM 203 CD PRO A 17 -15.697 -6.216 -6.916 1.00 0.00 C ATOM 0 HA PRO A 17 -16.843 -7.527 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.086 -7.298 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.984 -8.581 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.642 -6.244 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.164 -7.731 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.466 -5.180 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.049 -6.692 -7.831 1.00 0.00 H new ATOM 211 N ASN A 18 -16.657 -5.859 -2.455 1.00 0.00 N ATOM 212 CA ASN A 18 -16.574 -4.875 -1.389 1.00 0.00 C ATOM 213 C ASN A 18 -15.112 -4.477 -1.181 1.00 0.00 C ATOM 214 O ASN A 18 -14.204 -5.173 -1.633 1.00 0.00 O ATOM 215 CB ASN A 18 -17.101 -5.446 -0.071 1.00 0.00 C ATOM 216 CG ASN A 18 -18.597 -5.168 0.088 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.068 -4.745 1.131 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.314 -5.427 -1.001 1.00 0.00 N ATOM 0 H ASN A 18 -17.266 -6.653 -2.256 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.178 -4.014 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.922 -6.521 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.555 -5.007 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.322 -5.273 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.856 -5.780 -1.841 1.00 0.00 H new ATOM 225 N PRO A 19 -14.924 -3.327 -0.479 1.00 0.00 N ATOM 226 CA PRO A 19 -13.587 -2.827 -0.206 1.00 0.00 C ATOM 227 C PRO A 19 -12.908 -3.649 0.891 1.00 0.00 C ATOM 228 O PRO A 19 -13.577 -4.192 1.769 1.00 0.00 O ATOM 229 CB PRO A 19 -13.783 -1.370 0.179 1.00 0.00 C ATOM 230 CG PRO A 19 -15.249 -1.232 0.558 1.00 0.00 C ATOM 231 CD PRO A 19 -15.975 -2.476 0.071 1.00 0.00 C ATOM 0 HA PRO A 19 -12.922 -2.912 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.137 -1.096 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.530 -0.710 -0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.356 -1.126 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.678 -0.338 0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.500 -2.973 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.721 -2.229 -0.685 1.00 0.00 H new ATOM 239 N PRO A 20 -11.553 -3.717 0.803 1.00 0.00 N ATOM 240 CA PRO A 20 -10.776 -4.463 1.778 1.00 0.00 C ATOM 241 C PRO A 20 -10.686 -3.706 3.104 1.00 0.00 C ATOM 242 O PRO A 20 -11.084 -2.545 3.188 1.00 0.00 O ATOM 243 CB PRO A 20 -9.421 -4.675 1.122 1.00 0.00 C ATOM 244 CG PRO A 20 -9.333 -3.646 0.006 1.00 0.00 C ATOM 245 CD PRO A 20 -10.727 -3.086 -0.223 1.00 0.00 C ATOM 0 HA PRO A 20 -11.233 -5.418 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.613 -4.541 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.332 -5.687 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.641 -2.848 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.951 -4.104 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.738 -2.000 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.089 -3.322 -1.224 1.00 0.00 H new ATOM 253 N PHE A 21 -10.161 -4.394 4.107 1.00 0.00 N ATOM 254 CA PHE A 21 -10.015 -3.801 5.426 1.00 0.00 C ATOM 255 C PHE A 21 -8.834 -4.419 6.177 1.00 0.00 C ATOM 256 O PHE A 21 -8.216 -5.368 5.697 1.00 0.00 O ATOM 257 CB PHE A 21 -11.304 -4.096 6.195 1.00 0.00 C ATOM 258 CG PHE A 21 -11.745 -5.560 6.131 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.230 -6.464 7.007 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.653 -5.956 5.199 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.640 -7.822 6.948 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.062 -7.314 5.140 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.547 -8.219 6.016 1.00 0.00 C ATOM 0 H PHE A 21 -9.831 -5.356 4.033 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.833 -2.730 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.165 -3.814 7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.103 -3.469 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.509 -6.149 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.063 -5.238 4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.231 -8.540 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.782 -7.629 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.859 -9.252 5.971 1.00 0.00 H new ATOM 273 N ASP A 22 -8.555 -3.855 7.343 1.00 0.00 N ATOM 274 CA ASP A 22 -7.459 -4.339 8.165 1.00 0.00 C ATOM 275 C ASP A 22 -6.137 -4.119 7.426 1.00 0.00 C ATOM 276 O ASP A 22 -5.160 -4.825 7.671 1.00 0.00 O ATOM 277 CB ASP A 22 -7.600 -5.836 8.446 1.00 0.00 C ATOM 278 CG ASP A 22 -7.662 -6.213 9.927 1.00 0.00 C ATOM 279 OD1 ASP A 22 -6.820 -5.683 10.683 1.00 0.00 O ATOM 280 OD2 ASP A 22 -8.550 -7.023 10.270 1.00 0.00 O ATOM 0 H ASP A 22 -9.069 -3.067 7.738 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.478 -3.792 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.504 -6.199 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.759 -6.357 7.989 1.00 0.00 H new ATOM 285 N LEU A 23 -6.150 -3.138 6.535 1.00 0.00 N ATOM 286 CA LEU A 23 -4.964 -2.817 5.759 1.00 0.00 C ATOM 287 C LEU A 23 -3.780 -2.612 6.706 1.00 0.00 C ATOM 288 O LEU A 23 -3.902 -1.924 7.718 1.00 0.00 O ATOM 289 CB LEU A 23 -5.232 -1.622 4.841 1.00 0.00 C ATOM 290 CG LEU A 23 -5.122 -1.893 3.339 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.310 -2.719 2.843 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.966 -0.587 2.557 1.00 0.00 C ATOM 0 H LEU A 23 -6.963 -2.555 6.333 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.705 -3.645 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.233 -1.246 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.533 -0.827 5.099 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.223 -2.484 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.207 -2.898 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.335 -3.673 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.236 -2.176 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.890 -0.807 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.833 0.049 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.064 -0.071 2.886 1.00 0.00 H new ATOM 304 N GLU A 24 -2.661 -3.222 6.343 1.00 0.00 N ATOM 305 CA GLU A 24 -1.456 -3.114 7.148 1.00 0.00 C ATOM 306 C GLU A 24 -0.215 -3.156 6.253 1.00 0.00 C ATOM 307 O GLU A 24 -0.307 -3.491 5.073 1.00 0.00 O ATOM 308 CB GLU A 24 -1.404 -4.216 8.208 1.00 0.00 C ATOM 309 CG GLU A 24 -1.690 -3.651 9.600 1.00 0.00 C ATOM 310 CD GLU A 24 -2.726 -4.503 10.336 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.755 -4.819 9.700 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.466 -4.819 11.517 1.00 0.00 O ATOM 0 H GLU A 24 -2.564 -3.792 5.503 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.474 -2.156 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.133 -4.990 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.422 -4.689 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.767 -3.615 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.052 -2.627 9.513 1.00 0.00 H new ATOM 319 N LEU A 25 0.917 -2.810 6.849 1.00 0.00 N ATOM 320 CA LEU A 25 2.174 -2.803 6.121 1.00 0.00 C ATOM 321 C LEU A 25 3.275 -3.391 7.007 1.00 0.00 C ATOM 322 O LEU A 25 3.578 -2.848 8.069 1.00 0.00 O ATOM 323 CB LEU A 25 2.486 -1.398 5.604 1.00 0.00 C ATOM 324 CG LEU A 25 1.694 -0.944 4.376 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.069 0.434 4.605 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.566 -0.976 3.119 1.00 0.00 C ATOM 0 H LEU A 25 0.989 -2.533 7.828 1.00 0.00 H new ATOM 0 HA LEU A 25 2.105 -3.435 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.306 -0.687 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.548 -1.348 5.366 1.00 0.00 H new ATOM 0 HG LEU A 25 0.876 -1.646 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.512 0.733 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.394 0.390 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.856 1.162 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.979 -0.649 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.419 -0.310 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.922 -1.992 2.949 1.00 0.00 H new ATOM 445 N VAL A 33 8.427 -3.079 0.486 1.00 0.00 N ATOM 446 CA VAL A 33 7.447 -3.210 1.550 1.00 0.00 C ATOM 447 C VAL A 33 6.219 -3.952 1.019 1.00 0.00 C ATOM 448 O VAL A 33 5.681 -3.597 -0.029 1.00 0.00 O ATOM 449 CB VAL A 33 7.111 -1.832 2.125 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.110 -1.096 1.233 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.587 -1.949 3.558 1.00 0.00 C ATOM 0 HA VAL A 33 7.853 -3.800 2.372 1.00 0.00 H new ATOM 0 HB VAL A 33 8.030 -1.246 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.888 -0.120 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.536 -0.965 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.191 -1.678 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.356 -0.956 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.685 -2.561 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.347 -2.414 4.186 1.00 0.00 H new ATOM 461 N GLN A 34 5.813 -4.968 1.765 1.00 0.00 N ATOM 462 CA GLN A 34 4.658 -5.763 1.382 1.00 0.00 C ATOM 463 C GLN A 34 3.376 -5.141 1.939 1.00 0.00 C ATOM 464 O GLN A 34 3.370 -4.618 3.052 1.00 0.00 O ATOM 465 CB GLN A 34 4.811 -7.213 1.847 1.00 0.00 C ATOM 466 CG GLN A 34 3.757 -8.111 1.198 1.00 0.00 C ATOM 467 CD GLN A 34 4.322 -9.506 0.920 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.949 -10.129 1.761 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.064 -9.960 -0.303 1.00 0.00 N ATOM 0 H GLN A 34 6.263 -5.260 2.633 1.00 0.00 H new ATOM 0 HA GLN A 34 4.592 -5.770 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.808 -7.576 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.718 -7.262 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.889 -8.190 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.414 -7.661 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.533 -9.386 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.397 -10.882 -0.586 1.00 0.00 H new ATOM 478 N LEU A 35 2.323 -5.218 1.140 1.00 0.00 N ATOM 479 CA LEU A 35 1.038 -4.669 1.539 1.00 0.00 C ATOM 480 C LEU A 35 0.018 -5.803 1.655 1.00 0.00 C ATOM 481 O LEU A 35 -0.365 -6.404 0.652 1.00 0.00 O ATOM 482 CB LEU A 35 0.612 -3.553 0.583 1.00 0.00 C ATOM 483 CG LEU A 35 -0.807 -3.014 0.772 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.918 -2.203 2.065 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.255 -2.209 -0.450 1.00 0.00 C ATOM 0 H LEU A 35 2.333 -5.653 0.217 1.00 0.00 H new ATOM 0 HA LEU A 35 1.111 -4.204 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.312 -2.724 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.707 -3.921 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.485 -3.862 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.937 -1.831 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.670 -2.838 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.227 -1.361 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.267 -1.837 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.579 -1.367 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.239 -2.848 -1.333 1.00 0.00 H new ATOM 497 N SER A 36 -0.395 -6.061 2.888 1.00 0.00 N ATOM 498 CA SER A 36 -1.364 -7.112 3.147 1.00 0.00 C ATOM 499 C SER A 36 -2.760 -6.508 3.311 1.00 0.00 C ATOM 500 O SER A 36 -2.993 -5.710 4.217 1.00 0.00 O ATOM 501 CB SER A 36 -0.984 -7.915 4.393 1.00 0.00 C ATOM 502 OG SER A 36 0.328 -8.462 4.296 1.00 0.00 O ATOM 0 H SER A 36 -0.076 -5.560 3.718 1.00 0.00 H new ATOM 0 HA SER A 36 -1.367 -7.792 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.045 -7.272 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.703 -8.721 4.538 1.00 0.00 H new ATOM 0 HG SER A 36 0.534 -8.966 5.111 1.00 0.00 H new ATOM 508 N TRP A 37 -3.653 -6.912 2.419 1.00 0.00 N ATOM 509 CA TRP A 37 -5.020 -6.421 2.453 1.00 0.00 C ATOM 510 C TRP A 37 -5.951 -7.624 2.613 1.00 0.00 C ATOM 511 O TRP A 37 -5.542 -8.763 2.396 1.00 0.00 O ATOM 512 CB TRP A 37 -5.333 -5.584 1.211 1.00 0.00 C ATOM 513 CG TRP A 37 -5.226 -6.358 -0.104 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.200 -7.000 -0.765 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.035 -6.547 -0.897 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.725 -7.586 -1.920 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.367 -7.302 -2.003 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.721 -6.096 -0.686 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.440 -7.672 -2.985 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.806 -6.474 -1.676 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.124 -7.233 -2.796 1.00 0.00 C ATOM 0 H TRP A 37 -3.456 -7.574 1.668 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.168 -5.751 3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.341 -5.180 1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.651 -4.734 1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.227 -7.052 -0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.270 -8.128 -2.590 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.439 -5.504 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.725 -8.264 -3.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.781 -6.153 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.360 -7.483 -3.517 1.00 0.00 H new ATOM 532 N THR A 38 -7.186 -7.330 2.992 1.00 0.00 N ATOM 533 CA THR A 38 -8.179 -8.373 3.184 1.00 0.00 C ATOM 534 C THR A 38 -9.435 -8.071 2.366 1.00 0.00 C ATOM 535 O THR A 38 -10.178 -7.142 2.682 1.00 0.00 O ATOM 536 CB THR A 38 -8.447 -8.500 4.685 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.197 -8.919 5.227 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.400 -9.652 5.014 1.00 0.00 C ATOM 0 H THR A 38 -7.522 -6.384 3.171 1.00 0.00 H new ATOM 0 HA THR A 38 -7.817 -9.335 2.821 1.00 0.00 H new ATOM 0 HB THR A 38 -8.864 -7.565 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.280 -9.024 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.557 -9.698 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.355 -9.488 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.968 -10.591 4.670 1.00 0.00 H new ATOM 546 N PRO A 39 -9.641 -8.893 1.302 1.00 0.00 N ATOM 547 CA PRO A 39 -10.795 -8.723 0.436 1.00 0.00 C ATOM 548 C PRO A 39 -12.069 -9.227 1.116 1.00 0.00 C ATOM 549 O PRO A 39 -12.272 -10.433 1.247 1.00 0.00 O ATOM 550 CB PRO A 39 -10.453 -9.492 -0.830 1.00 0.00 C ATOM 551 CG PRO A 39 -9.330 -10.443 -0.450 1.00 0.00 C ATOM 552 CD PRO A 39 -8.782 -10.003 0.898 1.00 0.00 C ATOM 0 HA PRO A 39 -11.000 -7.677 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.320 -10.039 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.140 -8.816 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.699 -11.467 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.544 -10.427 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.817 -10.815 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.741 -9.690 0.819 1.00 0.00 H new ATOM 560 N GLY A 40 -12.895 -8.278 1.531 1.00 0.00 N ATOM 561 CA GLY A 40 -14.145 -8.610 2.194 1.00 0.00 C ATOM 562 C GLY A 40 -15.043 -9.449 1.282 1.00 0.00 C ATOM 563 O GLY A 40 -14.558 -10.312 0.552 1.00 0.00 O ATOM 0 H GLY A 40 -12.723 -7.279 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.939 -9.159 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.664 -7.695 2.479 1.00 0.00 H new ATOM 567 N ASP A 41 -16.335 -9.167 1.355 1.00 0.00 N ATOM 568 CA ASP A 41 -17.305 -9.885 0.546 1.00 0.00 C ATOM 569 C ASP A 41 -16.990 -9.664 -0.935 1.00 0.00 C ATOM 570 O ASP A 41 -16.338 -8.686 -1.295 1.00 0.00 O ATOM 571 CB ASP A 41 -18.724 -9.378 0.809 1.00 0.00 C ATOM 572 CG ASP A 41 -19.130 -9.325 2.283 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.854 -10.323 2.984 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.706 -8.288 2.676 1.00 0.00 O ATOM 0 H ASP A 41 -16.733 -8.451 1.962 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.246 -10.942 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.821 -8.378 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.427 -10.019 0.277 1.00 0.00 H new ATOM 579 N ASP A 42 -17.469 -10.590 -1.753 1.00 0.00 N ATOM 580 CA ASP A 42 -17.247 -10.509 -3.187 1.00 0.00 C ATOM 581 C ASP A 42 -18.565 -10.169 -3.884 1.00 0.00 C ATOM 582 O ASP A 42 -18.571 -9.763 -5.045 1.00 0.00 O ATOM 583 CB ASP A 42 -16.748 -11.844 -3.743 1.00 0.00 C ATOM 584 CG ASP A 42 -15.807 -12.619 -2.819 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.667 -12.141 -2.639 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.250 -13.673 -2.312 1.00 0.00 O ATOM 0 H ASP A 42 -18.010 -11.400 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.497 -9.740 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.610 -12.472 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.235 -11.658 -4.686 1.00 0.00 H new ATOM 591 N ASN A 43 -19.651 -10.347 -3.146 1.00 0.00 N ATOM 592 CA ASN A 43 -20.973 -10.064 -3.679 1.00 0.00 C ATOM 593 C ASN A 43 -21.229 -10.956 -4.896 1.00 0.00 C ATOM 594 O ASN A 43 -21.313 -10.468 -6.022 1.00 0.00 O ATOM 595 CB ASN A 43 -21.085 -8.607 -4.131 1.00 0.00 C ATOM 596 CG ASN A 43 -21.239 -7.671 -2.930 1.00 0.00 C ATOM 597 OD1 ASN A 43 -22.119 -6.828 -2.876 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.337 -7.867 -1.972 1.00 0.00 N ATOM 0 H ASN A 43 -19.642 -10.684 -2.183 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.702 -10.254 -2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.198 -8.330 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.940 -8.494 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.356 -7.294 -1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.626 -8.591 -2.081 1.00 0.00 H new ATOM 605 N ASN A 44 -21.346 -12.249 -4.628 1.00 0.00 N ATOM 606 CA ASN A 44 -21.591 -13.214 -5.686 1.00 0.00 C ATOM 607 C ASN A 44 -20.368 -13.279 -6.603 1.00 0.00 C ATOM 608 O ASN A 44 -19.740 -14.329 -6.732 1.00 0.00 O ATOM 609 CB ASN A 44 -22.797 -12.806 -6.535 1.00 0.00 C ATOM 610 CG ASN A 44 -24.099 -13.324 -5.922 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.606 -14.376 -6.275 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.611 -12.530 -4.986 1.00 0.00 N ATOM 0 H ASN A 44 -21.276 -12.650 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.787 -14.181 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.837 -11.720 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.685 -13.199 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.479 -12.789 -4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.136 -11.662 -4.737 1.00 0.00 H new ATOM 619 N SER A 45 -20.066 -12.144 -7.216 1.00 0.00 N ATOM 620 CA SER A 45 -18.930 -12.060 -8.118 1.00 0.00 C ATOM 621 C SER A 45 -17.625 -12.097 -7.319 1.00 0.00 C ATOM 622 O SER A 45 -17.360 -11.205 -6.515 1.00 0.00 O ATOM 623 CB SER A 45 -18.995 -10.790 -8.969 1.00 0.00 C ATOM 624 OG SER A 45 -17.835 -10.632 -9.782 1.00 0.00 O ATOM 0 H SER A 45 -20.588 -11.275 -7.106 1.00 0.00 H new ATOM 0 HA SER A 45 -18.962 -12.917 -8.790 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.881 -10.824 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.102 -9.922 -8.318 1.00 0.00 H new ATOM 0 HG SER A 45 -17.660 -11.465 -10.268 1.00 0.00 H new ATOM 630 N PRO A 46 -16.824 -13.166 -7.576 1.00 0.00 N ATOM 631 CA PRO A 46 -15.553 -13.331 -6.891 1.00 0.00 C ATOM 632 C PRO A 46 -14.502 -12.366 -7.445 1.00 0.00 C ATOM 633 O PRO A 46 -14.600 -11.927 -8.589 1.00 0.00 O ATOM 634 CB PRO A 46 -15.184 -14.791 -7.093 1.00 0.00 C ATOM 635 CG PRO A 46 -16.020 -15.274 -8.267 1.00 0.00 C ATOM 636 CD PRO A 46 -17.106 -14.241 -8.522 1.00 0.00 C ATOM 0 HA PRO A 46 -15.613 -13.093 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.120 -14.900 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.395 -15.375 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.397 -15.400 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.462 -16.246 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.077 -13.881 -9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.098 -14.661 -8.359 1.00 0.00 H new ATOM 644 N ILE A 47 -13.522 -12.065 -6.606 1.00 0.00 N ATOM 645 CA ILE A 47 -12.454 -11.161 -6.998 1.00 0.00 C ATOM 646 C ILE A 47 -11.604 -11.822 -8.085 1.00 0.00 C ATOM 647 O ILE A 47 -11.375 -13.030 -8.049 1.00 0.00 O ATOM 648 CB ILE A 47 -11.650 -10.719 -5.773 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.722 -9.202 -5.588 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.206 -11.219 -5.855 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.147 -8.474 -6.804 1.00 0.00 C ATOM 0 H ILE A 47 -13.445 -12.431 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.867 -10.248 -7.427 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.098 -11.173 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.758 -8.899 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.170 -8.915 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.657 -10.891 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.200 -12.308 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.731 -10.815 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.210 -7.397 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.104 -8.760 -6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.716 -8.745 -7.693 1.00 0.00 H new ATOM 663 N THR A 48 -11.161 -11.001 -9.025 1.00 0.00 N ATOM 664 CA THR A 48 -10.341 -11.492 -10.121 1.00 0.00 C ATOM 665 C THR A 48 -8.996 -10.763 -10.148 1.00 0.00 C ATOM 666 O THR A 48 -7.974 -11.352 -10.498 1.00 0.00 O ATOM 667 CB THR A 48 -11.142 -11.338 -11.415 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.549 -9.973 -11.412 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.458 -12.119 -11.386 1.00 0.00 C ATOM 0 H THR A 48 -11.354 -10.000 -9.051 1.00 0.00 H new ATOM 0 HA THR A 48 -10.100 -12.548 -9.994 1.00 0.00 H new ATOM 0 HB THR A 48 -10.538 -11.675 -12.257 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.272 -9.551 -10.572 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.987 -11.975 -12.328 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.249 -13.179 -11.245 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.077 -11.759 -10.564 1.00 0.00 H new ATOM 677 N LYS A 49 -9.040 -9.492 -9.775 1.00 0.00 N ATOM 678 CA LYS A 49 -7.838 -8.677 -9.753 1.00 0.00 C ATOM 679 C LYS A 49 -7.914 -7.696 -8.581 1.00 0.00 C ATOM 680 O LYS A 49 -8.999 -7.402 -8.082 1.00 0.00 O ATOM 681 CB LYS A 49 -7.624 -8.001 -11.109 1.00 0.00 C ATOM 682 CG LYS A 49 -7.021 -6.605 -10.936 1.00 0.00 C ATOM 683 CD LYS A 49 -6.714 -5.969 -12.293 1.00 0.00 C ATOM 684 CE LYS A 49 -8.001 -5.682 -13.069 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.899 -6.200 -14.451 1.00 0.00 N ATOM 0 H LYS A 49 -9.889 -9.007 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.958 -9.300 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.964 -8.613 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.575 -7.928 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.714 -5.972 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.107 -6.670 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.159 -5.042 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.076 -6.634 -12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.849 -6.144 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.189 -4.608 -13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.781 -5.997 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.102 -5.740 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.742 -7.228 -14.426 1.00 0.00 H new ATOM 699 N PHE A 50 -6.747 -7.216 -8.176 1.00 0.00 N ATOM 700 CA PHE A 50 -6.667 -6.275 -7.073 1.00 0.00 C ATOM 701 C PHE A 50 -5.742 -5.105 -7.415 1.00 0.00 C ATOM 702 O PHE A 50 -4.521 -5.257 -7.422 1.00 0.00 O ATOM 703 CB PHE A 50 -6.089 -7.034 -5.877 1.00 0.00 C ATOM 704 CG PHE A 50 -7.119 -7.864 -5.110 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.213 -7.262 -4.570 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.942 -9.205 -4.967 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.169 -8.032 -3.857 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.899 -9.976 -4.255 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.992 -9.373 -3.715 1.00 0.00 C ATOM 0 H PHE A 50 -5.849 -7.462 -8.593 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.656 -5.870 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.295 -7.693 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.631 -6.319 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.354 -6.197 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.074 -9.684 -5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.037 -7.553 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.759 -11.041 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.720 -9.959 -3.173 1.00 0.00 H new ATOM 719 N ILE A 51 -6.358 -3.965 -7.691 1.00 0.00 N ATOM 720 CA ILE A 51 -5.605 -2.771 -8.034 1.00 0.00 C ATOM 721 C ILE A 51 -5.263 -2.005 -6.754 1.00 0.00 C ATOM 722 O ILE A 51 -5.981 -2.099 -5.760 1.00 0.00 O ATOM 723 CB ILE A 51 -6.365 -1.936 -9.066 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.521 -2.701 -10.382 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.697 -0.575 -9.270 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.997 -2.845 -10.761 1.00 0.00 C ATOM 0 H ILE A 51 -7.371 -3.843 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.661 -3.039 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.368 -1.748 -8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.987 -2.179 -11.176 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.068 -3.688 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.257 -0.002 -10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.681 -0.032 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.676 -0.720 -9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.080 -3.392 -11.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.523 -3.389 -9.976 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.441 -1.856 -10.877 1.00 0.00 H new ATOM 738 N ILE A 52 -4.167 -1.263 -6.822 1.00 0.00 N ATOM 739 CA ILE A 52 -3.721 -0.481 -5.681 1.00 0.00 C ATOM 740 C ILE A 52 -3.483 0.965 -6.121 1.00 0.00 C ATOM 741 O ILE A 52 -3.323 1.237 -7.310 1.00 0.00 O ATOM 742 CB ILE A 52 -2.501 -1.134 -5.028 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.896 -2.407 -4.277 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.765 -0.141 -4.126 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.117 -3.616 -4.798 1.00 0.00 C ATOM 0 H ILE A 52 -3.575 -1.187 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.492 -0.457 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.808 -1.428 -5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.705 -2.279 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.966 -2.583 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.902 -0.630 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.430 0.710 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.438 0.206 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.417 -4.507 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.329 -3.756 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.049 -3.447 -4.661 1.00 0.00 H new ATOM 757 N GLU A 53 -3.468 1.854 -5.139 1.00 0.00 N ATOM 758 CA GLU A 53 -3.252 3.265 -5.410 1.00 0.00 C ATOM 759 C GLU A 53 -2.667 3.959 -4.179 1.00 0.00 C ATOM 760 O GLU A 53 -2.737 3.428 -3.071 1.00 0.00 O ATOM 761 CB GLU A 53 -4.550 3.942 -5.856 1.00 0.00 C ATOM 762 CG GLU A 53 -4.915 3.539 -7.286 1.00 0.00 C ATOM 763 CD GLU A 53 -6.108 4.350 -7.797 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.072 5.586 -7.617 1.00 0.00 O ATOM 765 OE2 GLU A 53 -7.029 3.715 -8.355 1.00 0.00 O ATOM 0 H GLU A 53 -3.602 1.625 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.535 3.353 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.359 3.667 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.439 5.025 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.058 3.694 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.153 2.476 -7.318 1.00 0.00 H new ATOM 772 N TYR A 54 -2.103 5.134 -4.413 1.00 0.00 N ATOM 773 CA TYR A 54 -1.506 5.906 -3.337 1.00 0.00 C ATOM 774 C TYR A 54 -1.635 7.407 -3.602 1.00 0.00 C ATOM 775 O TYR A 54 -1.855 7.824 -4.738 1.00 0.00 O ATOM 776 CB TYR A 54 -0.024 5.528 -3.319 1.00 0.00 C ATOM 777 CG TYR A 54 0.812 6.239 -4.385 1.00 0.00 C ATOM 778 CD1 TYR A 54 0.923 5.696 -5.649 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.455 7.422 -4.083 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.710 6.364 -6.653 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.242 8.090 -5.087 1.00 0.00 C ATOM 782 CZ TYR A 54 2.331 7.529 -6.322 1.00 0.00 C ATOM 783 OH TYR A 54 3.074 8.160 -7.270 1.00 0.00 O ATOM 0 H TYR A 54 -2.047 5.571 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.003 5.693 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.387 5.758 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.068 4.451 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.420 4.770 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.368 7.847 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.805 5.950 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.750 9.016 -4.864 1.00 0.00 H new ATOM 0 HH TYR A 54 3.457 8.979 -6.893 1.00 0.00 H new ATOM 793 N GLU A 55 -1.491 8.179 -2.534 1.00 0.00 N ATOM 794 CA GLU A 55 -1.589 9.625 -2.638 1.00 0.00 C ATOM 795 C GLU A 55 -0.430 10.289 -1.891 1.00 0.00 C ATOM 796 O GLU A 55 0.010 9.795 -0.854 1.00 0.00 O ATOM 797 CB GLU A 55 -2.937 10.123 -2.113 1.00 0.00 C ATOM 798 CG GLU A 55 -3.061 9.883 -0.607 1.00 0.00 C ATOM 799 CD GLU A 55 -3.101 11.208 0.158 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.008 11.776 0.366 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.225 11.622 0.516 1.00 0.00 O ATOM 0 H GLU A 55 -1.307 7.830 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.523 9.900 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.044 11.187 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.746 9.611 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.966 9.312 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.219 9.284 -0.260 1.00 0.00 H new ATOM 808 N ASP A 56 0.031 11.400 -2.447 1.00 0.00 N ATOM 809 CA ASP A 56 1.129 12.138 -1.846 1.00 0.00 C ATOM 810 C ASP A 56 0.567 13.218 -0.920 1.00 0.00 C ATOM 811 O ASP A 56 0.108 14.260 -1.384 1.00 0.00 O ATOM 812 CB ASP A 56 1.979 12.827 -2.915 1.00 0.00 C ATOM 813 CG ASP A 56 3.224 13.544 -2.388 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.156 14.029 -1.238 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.216 13.590 -3.148 1.00 0.00 O ATOM 0 H ASP A 56 -0.336 11.807 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 56 1.748 11.431 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.290 12.081 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.357 13.551 -3.442 1.00 0.00 H new ATOM 820 N ALA A 57 0.622 12.931 0.372 1.00 0.00 N ATOM 821 CA ALA A 57 0.124 13.865 1.368 1.00 0.00 C ATOM 822 C ALA A 57 1.143 14.990 1.561 1.00 0.00 C ATOM 823 O ALA A 57 0.808 16.053 2.081 1.00 0.00 O ATOM 824 CB ALA A 57 -0.171 13.116 2.669 1.00 0.00 C ATOM 0 H ALA A 57 1.004 12.065 0.752 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.809 14.319 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.544 13.817 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.922 12.348 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.743 12.649 3.035 1.00 0.00 H new ATOM 830 N MET A 58 2.366 14.716 1.132 1.00 0.00 N ATOM 831 CA MET A 58 3.437 15.692 1.251 1.00 0.00 C ATOM 832 C MET A 58 3.395 16.695 0.096 1.00 0.00 C ATOM 833 O MET A 58 4.138 17.675 0.094 1.00 0.00 O ATOM 834 CB MET A 58 4.786 14.971 1.254 1.00 0.00 C ATOM 835 CG MET A 58 5.942 15.971 1.169 1.00 0.00 C ATOM 836 SD MET A 58 7.480 15.161 1.573 1.00 0.00 S ATOM 837 CE MET A 58 7.161 14.719 3.272 1.00 0.00 C ATOM 0 H MET A 58 2.640 13.833 0.702 1.00 0.00 H new ATOM 0 HA MET A 58 3.305 16.237 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.882 14.375 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.835 14.280 0.412 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.996 16.393 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.767 16.801 1.854 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.057 14.895 3.868 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.343 15.327 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.889 13.665 3.329 1.00 0.00 H new ATOM 847 N HIS A 59 2.520 16.415 -0.858 1.00 0.00 N ATOM 848 CA HIS A 59 2.372 17.280 -2.015 1.00 0.00 C ATOM 849 C HIS A 59 0.888 17.557 -2.263 1.00 0.00 C ATOM 850 O HIS A 59 0.415 18.671 -2.043 1.00 0.00 O ATOM 851 CB HIS A 59 3.075 16.681 -3.235 1.00 0.00 C ATOM 852 CG HIS A 59 4.563 16.497 -3.058 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.108 15.703 -2.063 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.614 17.013 -3.758 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.428 15.747 -2.169 1.00 0.00 C ATOM 856 NE2 HIS A 59 6.740 16.559 -3.219 1.00 0.00 N ATOM 0 H HIS A 59 1.906 15.601 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 59 2.857 18.237 -1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.625 15.715 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.899 17.326 -4.096 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.583 15.174 -1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.543 17.678 -4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.133 15.230 -1.535 1.00 0.00 H new ATOM 864 N LYS A 60 0.194 16.524 -2.718 1.00 0.00 N ATOM 865 CA LYS A 60 -1.227 16.642 -2.998 1.00 0.00 C ATOM 866 C LYS A 60 -1.977 15.509 -2.295 1.00 0.00 C ATOM 867 O LYS A 60 -2.081 14.405 -2.827 1.00 0.00 O ATOM 868 CB LYS A 60 -1.473 16.699 -4.507 1.00 0.00 C ATOM 869 CG LYS A 60 -0.949 18.009 -5.099 1.00 0.00 C ATOM 870 CD LYS A 60 0.447 17.820 -5.698 1.00 0.00 C ATOM 871 CE LYS A 60 0.373 17.648 -7.216 1.00 0.00 C ATOM 872 NZ LYS A 60 0.858 18.867 -7.900 1.00 0.00 N ATOM 0 H LYS A 60 0.589 15.601 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.617 17.578 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.982 15.855 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.540 16.606 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.634 18.364 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.916 18.775 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.070 18.681 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.923 16.947 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.973 16.790 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.655 17.441 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.801 18.733 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.269 19.678 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.846 19.048 -7.629 1.00 0.00 H new ATOM 886 N PRO A 61 -2.492 15.829 -1.077 1.00 0.00 N ATOM 887 CA PRO A 61 -3.229 14.850 -0.296 1.00 0.00 C ATOM 888 C PRO A 61 -4.631 14.632 -0.871 1.00 0.00 C ATOM 889 O PRO A 61 -5.492 15.503 -0.762 1.00 0.00 O ATOM 890 CB PRO A 61 -3.248 15.409 1.117 1.00 0.00 C ATOM 891 CG PRO A 61 -2.929 16.889 0.985 1.00 0.00 C ATOM 892 CD PRO A 61 -2.388 17.126 -0.416 1.00 0.00 C ATOM 0 HA PRO A 61 -2.767 13.863 -0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.222 15.260 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.513 14.906 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.823 17.489 1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.196 17.190 1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.967 17.886 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.356 17.475 -0.388 1.00 0.00 H new ATOM 900 N GLY A 62 -4.814 13.465 -1.470 1.00 0.00 N ATOM 901 CA GLY A 62 -6.096 13.122 -2.062 1.00 0.00 C ATOM 902 C GLY A 62 -5.924 12.650 -3.508 1.00 0.00 C ATOM 903 O GLY A 62 -6.808 11.999 -4.062 1.00 0.00 O ATOM 0 H GLY A 62 -4.097 12.745 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.574 12.338 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.757 13.989 -2.035 1.00 0.00 H new ATOM 907 N LEU A 63 -4.779 12.998 -4.077 1.00 0.00 N ATOM 908 CA LEU A 63 -4.479 12.619 -5.448 1.00 0.00 C ATOM 909 C LEU A 63 -4.004 11.165 -5.478 1.00 0.00 C ATOM 910 O LEU A 63 -2.874 10.870 -5.094 1.00 0.00 O ATOM 911 CB LEU A 63 -3.487 13.603 -6.071 1.00 0.00 C ATOM 912 CG LEU A 63 -3.560 13.756 -7.592 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.939 14.254 -8.027 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.436 14.657 -8.107 1.00 0.00 C ATOM 0 H LEU A 63 -4.048 13.538 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.377 12.674 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.645 14.582 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.478 13.288 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.416 12.774 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.964 14.354 -9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.700 13.541 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.137 15.223 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.511 14.749 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.523 15.644 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.472 14.221 -7.846 1.00 0.00 H new ATOM 926 N TRP A 64 -4.892 10.295 -5.937 1.00 0.00 N ATOM 927 CA TRP A 64 -4.578 8.879 -6.022 1.00 0.00 C ATOM 928 C TRP A 64 -4.051 8.596 -7.430 1.00 0.00 C ATOM 929 O TRP A 64 -4.601 9.088 -8.414 1.00 0.00 O ATOM 930 CB TRP A 64 -5.793 8.025 -5.655 1.00 0.00 C ATOM 931 CG TRP A 64 -6.398 8.358 -4.290 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.440 9.157 -4.022 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.953 7.864 -3.009 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.698 9.214 -2.667 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.765 8.403 -2.032 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.899 6.991 -2.686 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.608 8.129 -0.668 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.756 6.728 -1.319 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.565 7.262 -0.323 1.00 0.00 C ATOM 0 H TRP A 64 -5.829 10.544 -6.254 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.806 8.611 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.558 8.152 -6.421 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.502 6.974 -5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.007 9.689 -4.772 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.437 9.752 -2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.251 6.558 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.257 8.563 0.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.961 6.063 -1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.390 7.009 0.712 1.00 0.00 H new ATOM 950 N HIS A 65 -2.990 7.803 -7.482 1.00 0.00 N ATOM 951 CA HIS A 65 -2.383 7.448 -8.753 1.00 0.00 C ATOM 952 C HIS A 65 -2.235 5.928 -8.845 1.00 0.00 C ATOM 953 O HIS A 65 -1.996 5.262 -7.839 1.00 0.00 O ATOM 954 CB HIS A 65 -1.056 8.185 -8.946 1.00 0.00 C ATOM 955 CG HIS A 65 -1.170 9.688 -8.857 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.391 10.490 -9.963 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.091 10.526 -7.783 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.441 11.751 -9.562 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.255 11.772 -8.211 1.00 0.00 N ATOM 0 H HIS A 65 -2.536 7.397 -6.664 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.031 7.765 -9.570 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.347 7.839 -8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.643 7.919 -9.919 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.497 10.165 -10.924 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.924 10.227 -6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.601 12.612 -10.194 1.00 0.00 H new ATOM 967 N HIS A 66 -2.385 5.423 -10.060 1.00 0.00 N ATOM 968 CA HIS A 66 -2.272 3.994 -10.297 1.00 0.00 C ATOM 969 C HIS A 66 -0.905 3.501 -9.817 1.00 0.00 C ATOM 970 O HIS A 66 0.129 3.950 -10.310 1.00 0.00 O ATOM 971 CB HIS A 66 -2.538 3.663 -11.767 1.00 0.00 C ATOM 972 CG HIS A 66 -3.384 2.429 -11.975 1.00 0.00 C ATOM 973 ND1 HIS A 66 -3.022 1.183 -11.494 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.576 2.264 -12.616 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.962 0.314 -11.836 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.924 0.986 -12.532 1.00 0.00 N ATOM 0 H HIS A 66 -2.584 5.978 -10.892 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.033 3.466 -9.723 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.032 4.513 -12.237 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.584 3.527 -12.277 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.141 3.041 -13.109 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.966 -0.741 -11.604 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.771 0.574 -12.923 1.00 0.00 H new ATOM 984 N GLN A 67 -0.944 2.585 -8.860 1.00 0.00 N ATOM 985 CA GLN A 67 0.278 2.027 -8.308 1.00 0.00 C ATOM 986 C GLN A 67 0.602 0.691 -8.980 1.00 0.00 C ATOM 987 O GLN A 67 1.533 0.604 -9.781 1.00 0.00 O ATOM 988 CB GLN A 67 0.171 1.865 -6.791 1.00 0.00 C ATOM 989 CG GLN A 67 1.401 1.152 -6.227 1.00 0.00 C ATOM 990 CD GLN A 67 2.230 2.097 -5.354 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.892 3.004 -5.831 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.158 1.833 -4.052 1.00 0.00 N ATOM 0 H GLN A 67 -1.803 2.216 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 67 1.094 2.721 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.068 2.844 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.727 1.298 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.088 0.289 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.014 0.775 -7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.584 1.058 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.676 2.406 -3.386 1.00 0.00 H new ATOM 1001 N THR A 68 -0.183 -0.317 -8.630 1.00 0.00 N ATOM 1002 CA THR A 68 0.009 -1.644 -9.189 1.00 0.00 C ATOM 1003 C THR A 68 -1.160 -2.556 -8.813 1.00 0.00 C ATOM 1004 O THR A 68 -1.833 -2.326 -7.809 1.00 0.00 O ATOM 1005 CB THR A 68 1.365 -2.167 -8.712 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.560 -3.363 -9.462 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.331 -2.641 -7.258 1.00 0.00 C ATOM 0 H THR A 68 -0.954 -0.241 -7.966 1.00 0.00 H new ATOM 0 HA THR A 68 0.020 -1.615 -10.279 1.00 0.00 H new ATOM 0 HB THR A 68 2.115 -1.383 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.418 -3.767 -9.216 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.318 -3.002 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.045 -1.811 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.605 -3.448 -7.155 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.367 -3.572 -9.638 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.443 -4.519 -9.404 1.00 0.00 C ATOM 1017 C GLU A 69 -1.894 -5.946 -9.355 1.00 0.00 C ATOM 1018 O GLU A 69 -0.739 -6.182 -9.706 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.531 -4.387 -10.472 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.936 -4.498 -11.877 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.362 -5.895 -12.121 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.019 -6.864 -11.681 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.278 -5.963 -12.741 1.00 0.00 O ATOM 0 H GLU A 69 -0.807 -3.760 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.897 -4.292 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.282 -5.164 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.039 -3.429 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.704 -4.282 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.152 -3.752 -12.004 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.746 -6.860 -8.916 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.360 -8.257 -8.816 1.00 0.00 C ATOM 1032 C VAL A 70 -3.561 -9.140 -9.161 1.00 0.00 C ATOM 1033 O VAL A 70 -4.617 -8.636 -9.542 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.788 -8.544 -7.426 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.262 -8.644 -7.472 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.238 -7.484 -6.419 1.00 0.00 C ATOM 0 H VAL A 70 -3.703 -6.660 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.571 -8.487 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.177 -9.507 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.120 -8.848 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.030 -9.451 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.154 -7.703 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.818 -7.711 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.891 -6.503 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.326 -7.481 -6.355 1.00 0.00 H new ATOM 1046 N SER A 71 -3.360 -10.441 -9.017 1.00 0.00 N ATOM 1047 CA SER A 71 -4.413 -11.399 -9.309 1.00 0.00 C ATOM 1048 C SER A 71 -5.498 -11.328 -8.232 1.00 0.00 C ATOM 1049 O SER A 71 -5.309 -10.693 -7.196 1.00 0.00 O ATOM 1050 CB SER A 71 -3.854 -12.819 -9.407 1.00 0.00 C ATOM 1051 OG SER A 71 -4.070 -13.390 -10.695 1.00 0.00 O ATOM 0 H SER A 71 -2.483 -10.855 -8.702 1.00 0.00 H new ATOM 0 HA SER A 71 -4.851 -11.143 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.786 -12.804 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.323 -13.446 -8.649 1.00 0.00 H new ATOM 0 HG SER A 71 -3.697 -14.296 -10.718 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.611 -11.989 -8.515 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.726 -12.009 -7.583 1.00 0.00 C ATOM 1059 C GLY A 72 -7.605 -13.183 -6.609 1.00 0.00 C ATOM 1060 O GLY A 72 -8.611 -13.753 -6.190 1.00 0.00 O ATOM 0 H GLY A 72 -6.765 -12.514 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.757 -11.072 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.664 -12.084 -8.134 1.00 0.00 H new ATOM 1064 N THR A 73 -6.364 -13.508 -6.275 1.00 0.00 N ATOM 1065 CA THR A 73 -6.099 -14.603 -5.358 1.00 0.00 C ATOM 1066 C THR A 73 -5.113 -14.164 -4.274 1.00 0.00 C ATOM 1067 O THR A 73 -5.306 -14.460 -3.096 1.00 0.00 O ATOM 1068 CB THR A 73 -5.608 -15.798 -6.178 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.753 -16.641 -6.283 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.588 -16.650 -5.419 1.00 0.00 C ATOM 0 H THR A 73 -5.532 -13.032 -6.623 1.00 0.00 H new ATOM 0 HA THR A 73 -7.003 -14.903 -4.828 1.00 0.00 H new ATOM 0 HB THR A 73 -5.164 -15.442 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.524 -17.440 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.272 -17.484 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.722 -16.039 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.042 -17.034 -4.506 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.076 -13.464 -4.711 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.059 -12.980 -3.793 1.00 0.00 C ATOM 1080 C GLN A 74 -3.569 -11.752 -3.035 1.00 0.00 C ATOM 1081 O GLN A 74 -4.343 -10.963 -3.574 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.757 -12.666 -4.533 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.882 -11.371 -5.337 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.733 -11.234 -6.338 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.847 -11.573 -7.504 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.378 -10.719 -5.819 1.00 0.00 N ATOM 0 H GLN A 74 -3.918 -13.221 -5.689 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.846 -13.767 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.940 -12.576 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.506 -13.490 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.834 -11.358 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.883 -10.517 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.406 -10.456 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.202 -10.587 -6.406 1.00 0.00 H new ATOM 1095 N THR A 75 -3.114 -11.630 -1.797 1.00 0.00 N ATOM 1096 CA THR A 75 -3.514 -10.512 -0.959 1.00 0.00 C ATOM 1097 C THR A 75 -2.283 -9.750 -0.463 1.00 0.00 C ATOM 1098 O THR A 75 -2.364 -8.997 0.506 1.00 0.00 O ATOM 1099 CB THR A 75 -4.387 -11.058 0.172 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.564 -12.031 0.808 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.582 -11.862 -0.346 1.00 0.00 C ATOM 0 H THR A 75 -2.472 -12.287 -1.354 1.00 0.00 H new ATOM 0 HA THR A 75 -4.102 -9.786 -1.521 1.00 0.00 H new ATOM 0 HB THR A 75 -4.744 -10.231 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.053 -12.434 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.168 -12.226 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.205 -11.224 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.224 -12.709 -0.932 1.00 0.00 H new ATOM 1109 N THR A 76 -1.173 -9.972 -1.151 1.00 0.00 N ATOM 1110 CA THR A 76 0.073 -9.316 -0.793 1.00 0.00 C ATOM 1111 C THR A 76 0.798 -8.826 -2.048 1.00 0.00 C ATOM 1112 O THR A 76 1.005 -9.592 -2.988 1.00 0.00 O ATOM 1113 CB THR A 76 0.900 -10.295 0.044 1.00 0.00 C ATOM 1114 OG1 THR A 76 1.011 -11.450 -0.783 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.145 -10.792 1.279 1.00 0.00 C ATOM 0 H THR A 76 -1.110 -10.597 -1.955 1.00 0.00 H new ATOM 0 HA THR A 76 -0.108 -8.425 -0.192 1.00 0.00 H new ATOM 0 HB THR A 76 1.827 -9.814 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.942 -11.186 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.776 -11.483 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.114 -9.944 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.766 -11.303 0.967 1.00 0.00 H new ATOM 1123 N ALA A 77 1.166 -7.553 -2.022 1.00 0.00 N ATOM 1124 CA ALA A 77 1.863 -6.953 -3.146 1.00 0.00 C ATOM 1125 C ALA A 77 2.961 -6.025 -2.622 1.00 0.00 C ATOM 1126 O ALA A 77 2.788 -5.369 -1.596 1.00 0.00 O ATOM 1127 CB ALA A 77 0.859 -6.221 -4.039 1.00 0.00 C ATOM 0 H ALA A 77 0.994 -6.921 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 77 2.341 -7.720 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.383 -5.771 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.117 -6.929 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.361 -5.441 -3.463 1.00 0.00 H new ATOM 1133 N GLN A 78 4.068 -6.000 -3.351 1.00 0.00 N ATOM 1134 CA GLN A 78 5.194 -5.163 -2.972 1.00 0.00 C ATOM 1135 C GLN A 78 4.928 -3.708 -3.361 1.00 0.00 C ATOM 1136 O GLN A 78 4.481 -3.430 -4.472 1.00 0.00 O ATOM 1137 CB GLN A 78 6.491 -5.671 -3.605 1.00 0.00 C ATOM 1138 CG GLN A 78 7.174 -6.702 -2.703 1.00 0.00 C ATOM 1139 CD GLN A 78 7.996 -7.694 -3.529 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.215 -7.716 -3.486 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.263 -8.510 -4.281 1.00 0.00 N ATOM 0 H GLN A 78 4.209 -6.546 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 78 5.312 -5.214 -1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.276 -6.118 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.166 -4.834 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.822 -6.193 -1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.422 -7.240 -2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.246 -8.438 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.718 -9.208 -4.869 1.00 0.00 H new ATOM 1150 N LEU A 79 5.214 -2.816 -2.423 1.00 0.00 N ATOM 1151 CA LEU A 79 5.011 -1.396 -2.653 1.00 0.00 C ATOM 1152 C LEU A 79 6.370 -0.698 -2.737 1.00 0.00 C ATOM 1153 O LEU A 79 7.257 -0.959 -1.925 1.00 0.00 O ATOM 1154 CB LEU A 79 4.083 -0.808 -1.589 1.00 0.00 C ATOM 1155 CG LEU A 79 2.680 -1.414 -1.513 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.685 -0.421 -0.910 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.226 -1.919 -2.885 1.00 0.00 C ATOM 0 H LEU A 79 5.585 -3.050 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 79 4.509 -1.233 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.560 -0.923 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.985 0.262 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 79 2.716 -2.277 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.696 -0.877 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.004 -0.152 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.645 0.475 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.226 -2.345 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.210 -1.089 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.918 -2.683 -3.239 1.00 0.00 H new ATOM 1169 N ASN A 80 6.491 0.175 -3.726 1.00 0.00 N ATOM 1170 CA ASN A 80 7.727 0.912 -3.926 1.00 0.00 C ATOM 1171 C ASN A 80 7.637 2.257 -3.202 1.00 0.00 C ATOM 1172 O ASN A 80 6.901 3.146 -3.627 1.00 0.00 O ATOM 1173 CB ASN A 80 7.968 1.190 -5.411 1.00 0.00 C ATOM 1174 CG ASN A 80 9.460 1.129 -5.746 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.120 2.136 -5.941 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.952 -0.105 -5.801 1.00 0.00 N ATOM 0 H ASN A 80 5.753 0.389 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 80 8.546 0.309 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.426 0.461 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.574 2.173 -5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.938 -0.252 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.343 -0.905 -5.627 1.00 0.00 H new ATOM 1183 N LEU A 81 8.397 2.363 -2.122 1.00 0.00 N ATOM 1184 CA LEU A 81 8.412 3.584 -1.334 1.00 0.00 C ATOM 1185 C LEU A 81 9.715 4.341 -1.600 1.00 0.00 C ATOM 1186 O LEU A 81 10.688 3.760 -2.078 1.00 0.00 O ATOM 1187 CB LEU A 81 8.173 3.271 0.144 1.00 0.00 C ATOM 1188 CG LEU A 81 6.951 2.405 0.458 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.468 2.636 1.891 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.838 2.634 -0.567 1.00 0.00 C ATOM 0 H LEU A 81 9.007 1.623 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 81 7.595 4.240 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.058 2.771 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.074 4.213 0.683 1.00 0.00 H new ATOM 0 HG LEU A 81 7.246 1.358 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.599 2.008 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.265 2.381 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.195 3.684 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.982 2.006 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.537 3.682 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.201 2.377 -1.562 1.00 0.00 H new ATOM 1202 N SER A 82 9.691 5.626 -1.279 1.00 0.00 N ATOM 1203 CA SER A 82 10.858 6.468 -1.477 1.00 0.00 C ATOM 1204 C SER A 82 11.092 7.337 -0.240 1.00 0.00 C ATOM 1205 O SER A 82 10.159 7.621 0.509 1.00 0.00 O ATOM 1206 CB SER A 82 10.699 7.346 -2.720 1.00 0.00 C ATOM 1207 OG SER A 82 10.967 6.626 -3.921 1.00 0.00 O ATOM 0 H SER A 82 8.882 6.104 -0.883 1.00 0.00 H new ATOM 0 HA SER A 82 11.723 5.823 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.685 7.744 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.374 8.199 -2.650 1.00 0.00 H new ATOM 0 HG SER A 82 10.853 7.221 -4.691 1.00 0.00 H new ATOM 1213 N PRO A 83 12.377 7.746 -0.060 1.00 0.00 N ATOM 1214 CA PRO A 83 12.746 8.577 1.074 1.00 0.00 C ATOM 1215 C PRO A 83 12.279 10.020 0.871 1.00 0.00 C ATOM 1216 O PRO A 83 12.448 10.584 -0.209 1.00 0.00 O ATOM 1217 CB PRO A 83 14.257 8.451 1.179 1.00 0.00 C ATOM 1218 CG PRO A 83 14.727 7.933 -0.170 1.00 0.00 C ATOM 1219 CD PRO A 83 13.508 7.429 -0.926 1.00 0.00 C ATOM 0 HA PRO A 83 12.268 8.260 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.714 9.414 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.537 7.766 1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.224 8.725 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.454 7.131 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.413 7.918 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.574 6.357 -1.114 1.00 0.00 H new ATOM 1227 N TYR A 84 11.701 10.575 1.926 1.00 0.00 N ATOM 1228 CA TYR A 84 11.208 11.941 1.877 1.00 0.00 C ATOM 1229 C TYR A 84 9.998 12.055 0.948 1.00 0.00 C ATOM 1230 O TYR A 84 9.935 12.955 0.112 1.00 0.00 O ATOM 1231 CB TYR A 84 12.353 12.782 1.308 1.00 0.00 C ATOM 1232 CG TYR A 84 13.745 12.305 1.730 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.117 12.352 3.058 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.627 11.828 0.782 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.427 11.903 3.455 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.936 11.379 1.179 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.271 11.439 2.496 1.00 0.00 C ATOM 1238 OH TYR A 84 17.508 11.015 2.870 1.00 0.00 O ATOM 0 H TYR A 84 11.563 10.104 2.820 1.00 0.00 H new ATOM 0 HA TYR A 84 10.897 12.272 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.291 12.772 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.223 13.817 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.426 12.725 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.335 11.792 -0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.731 11.934 4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.636 11.003 0.448 1.00 0.00 H new ATOM 0 HH TYR A 84 18.002 10.710 2.080 1.00 0.00 H new ATOM 1248 N VAL A 85 9.067 11.129 1.126 1.00 0.00 N ATOM 1249 CA VAL A 85 7.862 11.114 0.314 1.00 0.00 C ATOM 1250 C VAL A 85 6.724 10.472 1.110 1.00 0.00 C ATOM 1251 O VAL A 85 6.627 9.247 1.184 1.00 0.00 O ATOM 1252 CB VAL A 85 8.135 10.407 -1.015 1.00 0.00 C ATOM 1253 CG1 VAL A 85 6.967 10.595 -1.986 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.447 10.892 -1.634 1.00 0.00 C ATOM 0 H VAL A 85 9.123 10.384 1.820 1.00 0.00 H new ATOM 0 HA VAL A 85 7.554 12.130 0.069 1.00 0.00 H new ATOM 0 HB VAL A 85 8.234 9.340 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.187 10.083 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.060 10.179 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.822 11.658 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.617 10.374 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.389 11.965 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.271 10.683 -0.951 1.00 0.00 H new ATOM 1264 N ASN A 86 5.891 11.326 1.686 1.00 0.00 N ATOM 1265 CA ASN A 86 4.764 10.857 2.474 1.00 0.00 C ATOM 1266 C ASN A 86 3.601 10.516 1.540 1.00 0.00 C ATOM 1267 O ASN A 86 3.437 11.141 0.493 1.00 0.00 O ATOM 1268 CB ASN A 86 4.286 11.936 3.448 1.00 0.00 C ATOM 1269 CG ASN A 86 3.172 11.404 4.352 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.955 10.210 4.477 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.479 12.354 4.973 1.00 0.00 N ATOM 0 H ASN A 86 5.974 12.341 1.623 1.00 0.00 H new ATOM 0 HA ASN A 86 5.087 9.981 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.123 12.277 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.925 12.800 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.714 12.101 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.713 13.336 4.824 1.00 0.00 H new ATOM 1278 N TYR A 87 2.825 9.524 1.952 1.00 0.00 N ATOM 1279 CA TYR A 87 1.682 9.092 1.165 1.00 0.00 C ATOM 1280 C TYR A 87 0.998 7.884 1.809 1.00 0.00 C ATOM 1281 O TYR A 87 1.522 7.303 2.758 1.00 0.00 O ATOM 1282 CB TYR A 87 2.241 8.680 -0.198 1.00 0.00 C ATOM 1283 CG TYR A 87 3.632 8.045 -0.135 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.881 7.017 0.751 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.637 8.501 -0.964 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.190 6.419 0.811 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.946 7.904 -0.904 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.158 6.892 -0.019 1.00 0.00 C ATOM 1289 OH TYR A 87 7.394 6.328 0.037 1.00 0.00 O ATOM 0 H TYR A 87 2.965 9.007 2.820 1.00 0.00 H new ATOM 0 HA TYR A 87 0.943 9.890 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.552 7.975 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.283 9.558 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.094 6.661 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.442 9.305 -1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.398 5.613 1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.741 8.251 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 87 8.026 6.963 0.435 1.00 0.00 H new ATOM 1299 N SER A 88 -0.161 7.542 1.266 1.00 0.00 N ATOM 1300 CA SER A 88 -0.922 6.414 1.776 1.00 0.00 C ATOM 1301 C SER A 88 -0.971 5.300 0.728 1.00 0.00 C ATOM 1302 O SER A 88 -0.391 5.430 -0.349 1.00 0.00 O ATOM 1303 CB SER A 88 -2.339 6.838 2.167 1.00 0.00 C ATOM 1304 OG SER A 88 -3.280 6.575 1.130 1.00 0.00 O ATOM 0 H SER A 88 -0.592 8.026 0.478 1.00 0.00 H new ATOM 0 HA SER A 88 -0.424 6.041 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.639 6.309 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.347 7.902 2.403 1.00 0.00 H new ATOM 0 HG SER A 88 -3.714 7.412 0.862 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.669 4.231 1.081 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.801 3.095 0.184 1.00 0.00 C ATOM 1312 C PHE A 89 -3.131 2.371 0.409 1.00 0.00 C ATOM 1313 O PHE A 89 -3.432 1.950 1.525 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.652 2.136 0.504 1.00 0.00 C ATOM 1315 CG PHE A 89 0.735 2.774 0.407 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.295 3.002 -0.811 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.408 3.114 1.540 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.583 3.594 -0.900 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.695 3.706 1.450 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.256 3.933 0.232 1.00 0.00 C ATOM 0 H PHE A 89 -2.149 4.127 1.975 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.772 3.433 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.790 1.743 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.699 1.288 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.761 2.733 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.963 2.933 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.028 3.775 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.229 3.976 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.236 4.382 0.164 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.891 2.249 -0.669 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.181 1.583 -0.604 1.00 0.00 C ATOM 1332 C ARG A 90 -5.163 0.307 -1.448 1.00 0.00 C ATOM 1333 O ARG A 90 -4.129 -0.060 -2.003 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.299 2.500 -1.103 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.162 2.767 -2.603 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.556 4.206 -2.943 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.345 4.233 -4.195 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.146 5.244 -4.557 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.269 6.318 -3.764 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.823 5.182 -5.711 1.00 0.00 N ATOM 0 H ARG A 90 -3.638 2.600 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.372 1.330 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.267 2.043 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.270 3.444 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.134 2.584 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.793 2.073 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.138 4.635 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.662 4.820 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.274 3.431 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.753 6.365 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.879 7.088 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.729 4.365 -6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.433 5.952 -5.986 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.320 -0.334 -1.517 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.451 -1.562 -2.284 1.00 0.00 C ATOM 1356 C VAL A 91 -7.856 -1.635 -2.886 1.00 0.00 C ATOM 1357 O VAL A 91 -8.845 -1.409 -2.191 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.114 -2.767 -1.404 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.187 -4.068 -2.204 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.740 -2.601 -0.750 1.00 0.00 C ATOM 0 H VAL A 91 -7.176 -0.027 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.742 -1.573 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.859 -2.821 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.943 -4.909 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.195 -4.196 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.476 -4.028 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.525 -3.471 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.978 -2.509 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.738 -1.704 -0.130 1.00 0.00 H new ATOM 1370 N MET A 92 -7.898 -1.953 -4.171 1.00 0.00 N ATOM 1371 CA MET A 92 -9.165 -2.059 -4.874 1.00 0.00 C ATOM 1372 C MET A 92 -9.395 -3.486 -5.378 1.00 0.00 C ATOM 1373 O MET A 92 -8.441 -4.217 -5.640 1.00 0.00 O ATOM 1374 CB MET A 92 -9.175 -1.092 -6.059 1.00 0.00 C ATOM 1375 CG MET A 92 -9.366 0.351 -5.587 1.00 0.00 C ATOM 1376 SD MET A 92 -8.185 1.419 -6.395 1.00 0.00 S ATOM 1377 CE MET A 92 -6.672 0.819 -5.663 1.00 0.00 C ATOM 0 H MET A 92 -7.075 -2.141 -4.744 1.00 0.00 H new ATOM 0 HA MET A 92 -9.966 -1.805 -4.180 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.239 -1.177 -6.610 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.976 -1.362 -6.747 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.380 0.683 -5.808 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.240 0.408 -4.506 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.110 1.657 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.908 0.113 -4.867 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.072 0.320 -6.424 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.666 -3.839 -5.498 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.033 -5.165 -5.966 1.00 0.00 C ATOM 1389 C ALA A 93 -11.850 -5.039 -7.254 1.00 0.00 C ATOM 1390 O ALA A 93 -12.743 -4.198 -7.347 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.795 -5.903 -4.863 1.00 0.00 C ATOM 0 H ALA A 93 -11.455 -3.230 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.143 -5.750 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.070 -6.898 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.162 -5.992 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.696 -5.346 -4.608 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.514 -5.887 -8.215 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.205 -5.881 -9.493 1.00 0.00 C ATOM 1399 C VAL A 94 -12.619 -7.310 -9.851 1.00 0.00 C ATOM 1400 O VAL A 94 -11.807 -8.232 -9.779 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.324 -5.229 -10.561 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.165 -4.744 -11.744 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.500 -4.084 -9.968 1.00 0.00 C ATOM 0 H VAL A 94 -10.772 -6.583 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.115 -5.284 -9.432 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.630 -5.984 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.515 -4.285 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.687 -5.590 -12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.893 -4.011 -11.397 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.883 -3.638 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.170 -3.328 -9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.860 -4.469 -9.175 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.881 -7.450 -10.228 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.413 -8.751 -10.597 1.00 0.00 C ATOM 1415 C ASN A 95 -15.188 -8.626 -11.910 1.00 0.00 C ATOM 1416 O ASN A 95 -15.090 -7.612 -12.599 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.374 -9.276 -9.528 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.608 -8.379 -9.412 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.912 -7.581 -10.284 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.299 -8.553 -8.289 1.00 0.00 N ATOM 0 H ASN A 95 -14.551 -6.683 -10.286 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.576 -9.442 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.681 -10.292 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.863 -9.324 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.139 -8.001 -8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.989 -9.239 -7.600 1.00 0.00 H new ATOM 1427 N SER A 96 -15.941 -9.672 -12.217 1.00 0.00 N ATOM 1428 CA SER A 96 -16.732 -9.693 -13.435 1.00 0.00 C ATOM 1429 C SER A 96 -17.570 -8.417 -13.537 1.00 0.00 C ATOM 1430 O SER A 96 -17.683 -7.828 -14.611 1.00 0.00 O ATOM 1431 CB SER A 96 -17.637 -10.926 -13.484 1.00 0.00 C ATOM 1432 OG SER A 96 -17.196 -11.873 -14.453 1.00 0.00 O ATOM 0 H SER A 96 -16.020 -10.511 -11.643 1.00 0.00 H new ATOM 0 HA SER A 96 -16.050 -9.742 -14.284 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.661 -11.397 -12.501 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.657 -10.618 -13.715 1.00 0.00 H new ATOM 0 HG SER A 96 -17.798 -12.646 -14.453 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.135 -8.026 -12.404 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.959 -6.830 -12.352 1.00 0.00 C ATOM 1440 C ILE A 97 -18.121 -5.620 -12.770 1.00 0.00 C ATOM 1441 O ILE A 97 -18.204 -5.167 -13.911 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.605 -6.684 -10.973 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.383 -7.946 -10.596 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.480 -5.430 -10.908 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.792 -7.921 -11.192 1.00 0.00 C ATOM 0 H ILE A 97 -18.038 -8.516 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.785 -6.906 -13.059 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.812 -6.562 -10.235 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.849 -8.827 -10.953 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.445 -8.029 -9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.928 -5.350 -9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.868 -4.549 -11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.268 -5.497 -11.658 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.323 -8.830 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.332 -7.053 -10.814 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.727 -7.863 -12.278 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.332 -5.132 -11.824 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.479 -3.983 -12.080 1.00 0.00 C ATOM 1459 C GLY A 98 -15.486 -3.772 -10.936 1.00 0.00 C ATOM 1460 O GLY A 98 -15.213 -4.694 -10.168 1.00 0.00 O ATOM 0 H GLY A 98 -17.265 -5.511 -10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.937 -4.129 -13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.092 -3.090 -12.203 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.972 -2.553 -10.858 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.015 -2.210 -9.820 1.00 0.00 C ATOM 1466 C LYS A 99 -14.744 -1.512 -8.670 1.00 0.00 C ATOM 1467 O LYS A 99 -15.461 -0.536 -8.886 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.863 -1.390 -10.404 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.850 -1.017 -9.319 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.216 0.346 -9.606 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.399 0.309 -10.899 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.426 1.424 -10.929 1.00 0.00 N ATOM 0 H LYS A 99 -15.200 -1.791 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.560 -3.111 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.367 -1.961 -11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.255 -0.485 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.344 -0.995 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.073 -1.779 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.995 1.104 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.574 0.635 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.873 -0.643 -10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.065 0.376 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.880 1.384 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.934 2.330 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.779 1.342 -10.119 1.00 0.00 H new ATOM 1486 N SER A 100 -14.537 -2.041 -7.473 1.00 0.00 N ATOM 1487 CA SER A 100 -15.166 -1.481 -6.288 1.00 0.00 C ATOM 1488 C SER A 100 -14.405 -0.235 -5.831 1.00 0.00 C ATOM 1489 O SER A 100 -13.366 0.105 -6.396 1.00 0.00 O ATOM 1490 CB SER A 100 -15.226 -2.511 -5.158 1.00 0.00 C ATOM 1491 OG SER A 100 -13.944 -2.743 -4.579 1.00 0.00 O ATOM 0 H SER A 100 -13.943 -2.851 -7.298 1.00 0.00 H new ATOM 0 HA SER A 100 -16.188 -1.201 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.915 -2.164 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.625 -3.449 -5.543 1.00 0.00 H new ATOM 0 HG SER A 100 -13.954 -3.593 -4.092 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.952 0.413 -4.813 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.338 1.614 -4.274 1.00 0.00 C ATOM 1499 C LEU A 101 -13.004 1.250 -3.618 1.00 0.00 C ATOM 1500 O LEU A 101 -12.758 0.085 -3.310 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.307 2.336 -3.336 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.394 3.176 -4.011 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.463 3.601 -3.003 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.786 4.375 -4.741 1.00 0.00 C ATOM 0 H LEU A 101 -15.814 0.129 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.118 2.321 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.791 1.592 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.729 2.986 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.887 2.558 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.223 4.197 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.926 2.715 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.003 4.195 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.580 4.955 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.252 5.003 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.092 4.023 -5.504 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.157 2.295 -3.420 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.854 2.097 -2.807 1.00 0.00 C ATOM 1518 C PRO A 102 -10.987 1.873 -1.299 1.00 0.00 C ATOM 1519 O PRO A 102 -11.840 2.477 -0.651 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.061 3.346 -3.155 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.088 4.395 -3.548 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.415 3.688 -3.773 1.00 0.00 C ATOM 0 HA PRO A 102 -10.347 1.205 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.466 3.681 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.367 3.153 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.184 5.147 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.775 4.916 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.202 4.115 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.742 3.780 -4.809 1.00 0.00 H new ATOM 1530 N SER A 103 -10.129 1.003 -0.785 1.00 0.00 N ATOM 1531 CA SER A 103 -10.140 0.692 0.635 1.00 0.00 C ATOM 1532 C SER A 103 -10.030 1.980 1.453 1.00 0.00 C ATOM 1533 O SER A 103 -9.538 2.994 0.960 1.00 0.00 O ATOM 1534 CB SER A 103 -9.003 -0.265 0.997 1.00 0.00 C ATOM 1535 OG SER A 103 -7.858 0.427 1.489 1.00 0.00 O ATOM 0 H SER A 103 -9.422 0.504 -1.326 1.00 0.00 H new ATOM 0 HA SER A 103 -11.083 0.199 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.350 -0.972 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.725 -0.847 0.118 1.00 0.00 H new ATOM 0 HG SER A 103 -7.059 0.118 1.013 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.498 1.899 2.690 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.459 3.045 3.582 1.00 0.00 C ATOM 1543 C GLU A 104 -9.157 3.825 3.387 1.00 0.00 C ATOM 1544 O GLU A 104 -9.147 4.870 2.738 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.625 2.612 5.040 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.940 1.855 5.240 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.260 1.697 6.728 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.505 0.959 7.396 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.254 2.319 7.163 1.00 0.00 O ATOM 0 H GLU A 104 -10.906 1.057 3.096 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.294 3.701 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.788 1.978 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.603 3.488 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.751 2.390 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.873 0.873 4.772 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.091 3.287 3.961 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.787 3.920 3.858 1.00 0.00 C ATOM 1558 C ALA A 105 -5.867 3.363 4.947 1.00 0.00 C ATOM 1559 O ALA A 105 -6.106 3.577 6.134 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.947 5.439 3.951 1.00 0.00 C ATOM 0 H ALA A 105 -8.103 2.420 4.499 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.329 3.699 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.969 5.913 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.585 5.788 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.402 5.699 4.907 1.00 0.00 H new ATOM 1566 N SER A 106 -4.836 2.659 4.503 1.00 0.00 N ATOM 1567 CA SER A 106 -3.880 2.070 5.425 1.00 0.00 C ATOM 1568 C SER A 106 -3.159 3.171 6.205 1.00 0.00 C ATOM 1569 O SER A 106 -3.226 4.343 5.838 1.00 0.00 O ATOM 1570 CB SER A 106 -2.868 1.194 4.683 1.00 0.00 C ATOM 1571 OG SER A 106 -1.631 1.869 4.473 1.00 0.00 O ATOM 0 H SER A 106 -4.642 2.483 3.517 1.00 0.00 H new ATOM 0 HA SER A 106 -4.425 1.436 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.691 0.282 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.285 0.893 3.722 1.00 0.00 H new ATOM 0 HG SER A 106 -1.526 2.070 3.520 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.484 2.754 7.267 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.751 3.691 8.102 1.00 0.00 C ATOM 1579 C GLU A 107 -0.792 4.524 7.249 1.00 0.00 C ATOM 1580 O GLU A 107 -0.431 4.124 6.144 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.999 2.959 9.215 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.328 1.691 8.683 1.00 0.00 C ATOM 1583 CD GLU A 107 0.807 1.243 9.605 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.637 2.113 9.948 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.820 0.040 9.946 1.00 0.00 O ATOM 0 H GLU A 107 -2.429 1.781 7.568 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.466 4.365 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.246 3.620 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.691 2.700 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.066 0.894 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.063 1.875 7.682 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.409 5.669 7.794 1.00 0.00 N ATOM 1593 CA GLN A 108 0.501 6.563 7.097 1.00 0.00 C ATOM 1594 C GLN A 108 1.942 6.069 7.239 1.00 0.00 C ATOM 1595 O GLN A 108 2.599 6.342 8.243 1.00 0.00 O ATOM 1596 CB GLN A 108 0.359 7.997 7.609 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.501 8.835 6.662 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.443 10.318 7.035 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -1.447 10.957 7.304 1.00 0.00 O ATOM 1600 NE2 GLN A 108 0.785 10.828 7.036 1.00 0.00 N ATOM 0 H GLN A 108 -0.712 5.999 8.710 1.00 0.00 H new ATOM 0 HA GLN A 108 0.241 6.563 6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.090 7.989 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.345 8.451 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.156 8.701 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.533 8.487 6.699 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.583 10.237 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.929 11.810 7.272 1.00 0.00 H new ATOM 1609 N TYR A 109 2.392 5.353 6.220 1.00 0.00 N ATOM 1610 CA TYR A 109 3.743 4.819 6.218 1.00 0.00 C ATOM 1611 C TYR A 109 4.746 5.868 5.732 1.00 0.00 C ATOM 1612 O TYR A 109 4.661 6.333 4.597 1.00 0.00 O ATOM 1613 CB TYR A 109 3.733 3.647 5.235 1.00 0.00 C ATOM 1614 CG TYR A 109 4.837 2.617 5.483 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.069 3.026 5.951 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.600 1.279 5.239 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.108 2.056 6.184 1.00 0.00 C ATOM 1618 CE2 TYR A 109 5.639 0.310 5.473 1.00 0.00 C ATOM 1619 CZ TYR A 109 6.842 0.746 5.933 1.00 0.00 C ATOM 1620 OH TYR A 109 7.823 -0.169 6.154 1.00 0.00 O ATOM 0 H TYR A 109 1.844 5.130 5.389 1.00 0.00 H new ATOM 0 HA TYR A 109 4.038 4.518 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.766 3.148 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.834 4.035 4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.254 4.073 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.636 0.959 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.077 2.362 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.467 -0.740 5.287 1.00 0.00 H new ATOM 0 HH TYR A 109 7.491 -1.064 5.933 1.00 0.00 H new ATOM 1630 N LEU A 110 5.672 6.208 6.616 1.00 0.00 N ATOM 1631 CA LEU A 110 6.690 7.193 6.291 1.00 0.00 C ATOM 1632 C LEU A 110 8.066 6.525 6.314 1.00 0.00 C ATOM 1633 O LEU A 110 8.449 5.918 7.314 1.00 0.00 O ATOM 1634 CB LEU A 110 6.579 8.404 7.220 1.00 0.00 C ATOM 1635 CG LEU A 110 6.569 9.774 6.537 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.655 9.859 5.463 1.00 0.00 C ATOM 1637 CD2 LEU A 110 5.182 10.097 5.977 1.00 0.00 C ATOM 0 H LEU A 110 5.739 5.819 7.557 1.00 0.00 H new ATOM 0 HA LEU A 110 6.539 7.578 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.665 8.305 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.412 8.376 7.922 1.00 0.00 H new ATOM 0 HG LEU A 110 6.798 10.531 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.626 10.842 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.632 9.704 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.482 9.091 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.202 11.075 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.900 9.340 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.455 10.106 6.789 1.00 0.00 H new