USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=25 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 74 GLN : amide:sc= 0.491! K(o=1.4!,f=-1.3) USER MOD Set 1.2: A 76 THR OG1 : rot 40:sc= 0.906 USER MOD Set 2.1: A 18 ASN : amide:sc= -3.77! K(o=-8.5!,f=-1.7) USER MOD Set 2.2: A 43 ASN : amide:sc= -4.76! C(o=-8.5!,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -5.87! C(o=-5.9!,f=-4.2!) USER MOD Single : A 36 SER OG : rot 34:sc= 0.154 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.05! X(o=-1.1!,f=-0.89) USER MOD Single : A 45 SER OG : rot 74:sc= -0.514 USER MOD Single : A 48 THR OG1 : rot 15:sc= -1.46 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 -103:sc= -0.153 (180deg=-1.14) USER MOD Single : A 59 HIS : no HE2:sc= -0.495 K(o=-0.5,f=-6.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.0697 K(o=-0.07,f=-1.3) USER MOD Single : A 66 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.16) USER MOD Single : A 67 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.148 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 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.024) 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 86 ASN : amide:sc= -4.27! C(o=-4.3!,f=-9.8!) USER MOD Single : A 87 TYR OH : rot -83:sc= -1.55! USER MOD Single : A 88 SER OG : rot -97:sc= 0.892 USER MOD Single : A 92 MET CE :methyl -126:sc= -11! (180deg=-19.9!) USER MOD Single : A 95 ASN : amide:sc= -12.4! C(o=-12!,f=-27!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0.607 (180deg=0.0357) USER MOD Single : A 100 SER OG : rot -179:sc= 0.933 USER MOD Single : A 103 SER OG : rot 90:sc= -0.0655 USER MOD Single : A 106 SER OG : rot 180:sc= -0.721 USER MOD Single : A 108 GLN : amide:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.629 -10.647 -6.900 1.00 0.00 N ATOM 133 CA VAL A 13 -27.407 -9.213 -6.819 1.00 0.00 C ATOM 134 C VAL A 13 -25.922 -8.945 -6.567 1.00 0.00 C ATOM 135 O VAL A 13 -25.406 -9.247 -5.492 1.00 0.00 O ATOM 136 CB VAL A 13 -28.314 -8.603 -5.749 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.082 -9.266 -4.390 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.117 -7.088 -5.662 1.00 0.00 C ATOM 0 HA VAL A 13 -27.669 -8.732 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.348 -8.790 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.739 -8.814 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.297 -10.332 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.044 -9.125 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.774 -6.679 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.080 -6.870 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.357 -6.634 -6.623 1.00 0.00 H new ATOM 148 N TYR A 14 -25.275 -8.380 -7.577 1.00 0.00 N ATOM 149 CA TYR A 14 -23.860 -8.068 -7.478 1.00 0.00 C ATOM 150 C TYR A 14 -23.648 -6.615 -7.048 1.00 0.00 C ATOM 151 O TYR A 14 -24.582 -5.954 -6.597 1.00 0.00 O ATOM 152 CB TYR A 14 -23.287 -8.260 -8.883 1.00 0.00 C ATOM 153 CG TYR A 14 -23.693 -9.577 -9.547 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.901 -9.674 -10.206 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.851 -10.669 -9.485 1.00 0.00 C ATOM 156 CE1 TYR A 14 -25.284 -10.914 -10.830 1.00 0.00 C ATOM 157 CE2 TYR A 14 -23.234 -11.909 -10.109 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.431 -11.970 -10.751 1.00 0.00 C ATOM 159 OH TYR A 14 -24.792 -13.142 -11.340 1.00 0.00 O ATOM 0 H TYR A 14 -25.705 -8.131 -8.467 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.377 -8.706 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.612 -7.432 -9.513 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.199 -8.212 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.560 -8.820 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.905 -10.593 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -26.227 -11.003 -11.349 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.585 -12.771 -10.068 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.086 -13.808 -11.204 1.00 0.00 H new ATOM 169 N ASP A 15 -22.413 -6.160 -7.202 1.00 0.00 N ATOM 170 CA ASP A 15 -22.066 -4.797 -6.835 1.00 0.00 C ATOM 171 C ASP A 15 -20.568 -4.720 -6.534 1.00 0.00 C ATOM 172 O ASP A 15 -20.168 -4.243 -5.473 1.00 0.00 O ATOM 173 CB ASP A 15 -22.824 -4.355 -5.582 1.00 0.00 C ATOM 174 CG ASP A 15 -24.099 -3.551 -5.847 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.133 -2.870 -6.894 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.011 -3.637 -4.996 1.00 0.00 O ATOM 0 H ASP A 15 -21.640 -6.711 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.333 -4.145 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.085 -5.240 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.156 -3.755 -4.964 1.00 0.00 H new ATOM 181 N VAL A 16 -19.780 -5.198 -7.486 1.00 0.00 N ATOM 182 CA VAL A 16 -18.335 -5.189 -7.336 1.00 0.00 C ATOM 183 C VAL A 16 -17.964 -5.787 -5.977 1.00 0.00 C ATOM 184 O VAL A 16 -18.800 -5.861 -5.078 1.00 0.00 O ATOM 185 CB VAL A 16 -17.797 -3.771 -7.531 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.038 -3.285 -8.962 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.411 -2.806 -6.515 1.00 0.00 C ATOM 0 H VAL A 16 -20.115 -5.594 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.868 -5.808 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.721 -3.796 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.646 -2.274 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.532 -3.950 -9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.108 -3.284 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.011 -1.805 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.494 -2.788 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.166 -3.136 -5.506 1.00 0.00 H new ATOM 197 N PRO A 17 -16.676 -6.210 -5.867 1.00 0.00 N ATOM 198 CA PRO A 17 -16.184 -6.799 -4.634 1.00 0.00 C ATOM 199 C PRO A 17 -15.960 -5.727 -3.566 1.00 0.00 C ATOM 200 O PRO A 17 -15.190 -4.790 -3.773 1.00 0.00 O ATOM 201 CB PRO A 17 -14.907 -7.524 -5.025 1.00 0.00 C ATOM 202 CG PRO A 17 -14.484 -6.931 -6.359 1.00 0.00 C ATOM 203 CD PRO A 17 -15.658 -6.139 -6.911 1.00 0.00 C ATOM 0 HA PRO A 17 -16.897 -7.491 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.132 -7.384 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.078 -8.597 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.615 -6.286 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.196 -7.720 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.376 -5.107 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.019 -6.566 -7.846 1.00 0.00 H new ATOM 211 N ASN A 18 -16.646 -5.900 -2.445 1.00 0.00 N ATOM 212 CA ASN A 18 -16.530 -4.959 -1.344 1.00 0.00 C ATOM 213 C ASN A 18 -15.057 -4.600 -1.138 1.00 0.00 C ATOM 214 O ASN A 18 -14.170 -5.334 -1.568 1.00 0.00 O ATOM 215 CB ASN A 18 -17.056 -5.567 -0.042 1.00 0.00 C ATOM 216 CG ASN A 18 -18.561 -5.333 0.104 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.077 -5.100 1.185 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.234 -5.408 -1.041 1.00 0.00 N ATOM 0 H ASN A 18 -17.284 -6.678 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.118 -4.075 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.847 -6.637 -0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.532 -5.127 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.244 -5.267 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.740 -5.607 -1.911 1.00 0.00 H new ATOM 225 N PRO A 19 -14.838 -3.441 -0.461 1.00 0.00 N ATOM 226 CA PRO A 19 -13.488 -2.976 -0.192 1.00 0.00 C ATOM 227 C PRO A 19 -12.839 -3.793 0.927 1.00 0.00 C ATOM 228 O PRO A 19 -13.529 -4.304 1.808 1.00 0.00 O ATOM 229 CB PRO A 19 -13.641 -1.505 0.158 1.00 0.00 C ATOM 230 CG PRO A 19 -15.103 -1.314 0.526 1.00 0.00 C ATOM 231 CD PRO A 19 -15.865 -2.546 0.064 1.00 0.00 C ATOM 0 HA PRO A 19 -12.822 -3.101 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.990 -1.231 0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.365 -0.872 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.211 -1.180 1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.502 -0.418 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.409 -3.007 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.599 -2.294 -0.701 1.00 0.00 H new ATOM 239 N PRO A 20 -11.485 -3.893 0.855 1.00 0.00 N ATOM 240 CA PRO A 20 -10.735 -4.639 1.852 1.00 0.00 C ATOM 241 C PRO A 20 -10.642 -3.859 3.165 1.00 0.00 C ATOM 242 O PRO A 20 -11.012 -2.688 3.223 1.00 0.00 O ATOM 243 CB PRO A 20 -9.379 -4.893 1.215 1.00 0.00 C ATOM 244 CG PRO A 20 -9.255 -3.888 0.081 1.00 0.00 C ATOM 245 CD PRO A 20 -10.634 -3.301 -0.173 1.00 0.00 C ATOM 0 HA PRO A 20 -11.215 -5.579 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.576 -4.763 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.309 -5.914 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.548 -3.101 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.874 -4.372 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.621 -2.214 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.991 -3.548 -1.173 1.00 0.00 H new ATOM 253 N PHE A 21 -10.146 -4.541 4.187 1.00 0.00 N ATOM 254 CA PHE A 21 -9.999 -3.927 5.495 1.00 0.00 C ATOM 255 C PHE A 21 -8.841 -4.558 6.270 1.00 0.00 C ATOM 256 O PHE A 21 -8.130 -5.413 5.745 1.00 0.00 O ATOM 257 CB PHE A 21 -11.303 -4.178 6.256 1.00 0.00 C ATOM 258 CG PHE A 21 -11.698 -5.654 6.341 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.383 -6.235 5.320 1.00 0.00 C ATOM 260 CD2 PHE A 21 -11.365 -6.385 7.439 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.750 -7.604 5.400 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.732 -7.754 7.518 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.417 -8.335 6.497 1.00 0.00 C ATOM 0 H PHE A 21 -9.841 -5.513 4.135 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.790 -2.863 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.205 -3.780 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.107 -3.624 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.648 -5.655 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.822 -5.924 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.294 -8.065 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.467 -8.334 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.696 -9.376 6.557 1.00 0.00 H new ATOM 273 N ASP A 22 -8.686 -4.111 7.508 1.00 0.00 N ATOM 274 CA ASP A 22 -7.626 -4.621 8.361 1.00 0.00 C ATOM 275 C ASP A 22 -6.280 -4.448 7.653 1.00 0.00 C ATOM 276 O ASP A 22 -5.305 -5.116 7.994 1.00 0.00 O ATOM 277 CB ASP A 22 -7.820 -6.111 8.650 1.00 0.00 C ATOM 278 CG ASP A 22 -7.716 -6.502 10.125 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.164 -5.684 10.892 1.00 0.00 O ATOM 280 OD2 ASP A 22 -8.192 -7.611 10.453 1.00 0.00 O ATOM 0 H ASP A 22 -9.277 -3.401 7.941 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.651 -4.066 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.799 -6.414 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.076 -6.675 8.087 1.00 0.00 H new ATOM 285 N LEU A 23 -6.271 -3.548 6.681 1.00 0.00 N ATOM 286 CA LEU A 23 -5.061 -3.279 5.922 1.00 0.00 C ATOM 287 C LEU A 23 -3.867 -3.226 6.876 1.00 0.00 C ATOM 288 O LEU A 23 -4.014 -2.859 8.041 1.00 0.00 O ATOM 289 CB LEU A 23 -5.229 -2.015 5.076 1.00 0.00 C ATOM 290 CG LEU A 23 -5.112 -2.201 3.562 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.356 -2.889 2.996 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.828 -0.868 2.867 1.00 0.00 C ATOM 0 H LEU A 23 -7.082 -2.996 6.401 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.868 -4.085 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.205 -1.583 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.481 -1.288 5.392 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.264 -2.856 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.247 -3.009 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.473 -3.868 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.236 -2.281 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.749 -1.028 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.640 -0.171 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.892 -0.455 3.242 1.00 0.00 H new ATOM 304 N GLU A 24 -2.710 -3.599 6.348 1.00 0.00 N ATOM 305 CA GLU A 24 -1.491 -3.599 7.138 1.00 0.00 C ATOM 306 C GLU A 24 -0.272 -3.414 6.233 1.00 0.00 C ATOM 307 O GLU A 24 -0.376 -3.535 5.013 1.00 0.00 O ATOM 308 CB GLU A 24 -1.373 -4.882 7.963 1.00 0.00 C ATOM 309 CG GLU A 24 -1.426 -4.577 9.462 1.00 0.00 C ATOM 310 CD GLU A 24 -1.606 -5.860 10.276 1.00 0.00 C ATOM 311 OE1 GLU A 24 -1.065 -6.896 9.831 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.280 -5.776 11.325 1.00 0.00 O ATOM 0 H GLU A 24 -2.592 -3.903 5.382 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.532 -2.761 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.181 -5.564 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.437 -5.388 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.508 -4.074 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.249 -3.892 9.669 1.00 0.00 H new ATOM 319 N LEU A 25 0.856 -3.125 6.865 1.00 0.00 N ATOM 320 CA LEU A 25 2.094 -2.922 6.132 1.00 0.00 C ATOM 321 C LEU A 25 3.217 -3.711 6.809 1.00 0.00 C ATOM 322 O LEU A 25 3.713 -3.312 7.862 1.00 0.00 O ATOM 323 CB LEU A 25 2.392 -1.429 5.986 1.00 0.00 C ATOM 324 CG LEU A 25 1.608 -0.691 4.899 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.213 0.711 5.364 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.391 -0.660 3.585 1.00 0.00 C ATOM 0 H LEU A 25 0.939 -3.027 7.877 1.00 0.00 H new ATOM 0 HA LEU A 25 2.003 -3.305 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.193 -0.944 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.456 -1.309 5.783 1.00 0.00 H new ATOM 0 HG LEU A 25 0.685 -1.239 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.657 1.214 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.589 0.637 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.111 1.284 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.812 -0.130 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.341 -0.148 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.579 -1.680 3.249 1.00 0.00 H new ATOM 445 N VAL A 33 8.484 -3.006 0.352 1.00 0.00 N ATOM 446 CA VAL A 33 7.506 -3.235 1.402 1.00 0.00 C ATOM 447 C VAL A 33 6.279 -3.930 0.808 1.00 0.00 C ATOM 448 O VAL A 33 5.854 -3.608 -0.301 1.00 0.00 O ATOM 449 CB VAL A 33 7.167 -1.915 2.097 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.272 -1.044 1.214 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.517 -2.164 3.460 1.00 0.00 C ATOM 0 HA VAL A 33 7.914 -3.895 2.167 1.00 0.00 H new ATOM 0 HB VAL A 33 8.099 -1.376 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.046 -0.112 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.787 -0.824 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.344 -1.575 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.286 -1.209 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.598 -2.734 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.204 -2.726 4.093 1.00 0.00 H new ATOM 461 N GLN A 34 5.744 -4.871 1.572 1.00 0.00 N ATOM 462 CA GLN A 34 4.575 -5.615 1.135 1.00 0.00 C ATOM 463 C GLN A 34 3.321 -5.093 1.840 1.00 0.00 C ATOM 464 O GLN A 34 3.309 -4.940 3.060 1.00 0.00 O ATOM 465 CB GLN A 34 4.756 -7.114 1.377 1.00 0.00 C ATOM 466 CG GLN A 34 3.506 -7.892 0.963 1.00 0.00 C ATOM 467 CD GLN A 34 3.023 -8.799 2.096 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.432 -9.941 2.229 1.00 0.00 O ATOM 469 NE2 GLN A 34 2.133 -8.229 2.903 1.00 0.00 N ATOM 0 H GLN A 34 6.099 -5.135 2.491 1.00 0.00 H new ATOM 0 HA GLN A 34 4.454 -5.467 0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.616 -7.475 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.967 -7.293 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.714 -7.195 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.723 -8.492 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.833 -7.269 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.750 -8.752 3.690 1.00 0.00 H new ATOM 478 N LEU A 35 2.296 -4.835 1.041 1.00 0.00 N ATOM 479 CA LEU A 35 1.040 -4.334 1.573 1.00 0.00 C ATOM 480 C LEU A 35 0.043 -5.489 1.688 1.00 0.00 C ATOM 481 O LEU A 35 -0.329 -6.095 0.684 1.00 0.00 O ATOM 482 CB LEU A 35 0.530 -3.163 0.730 1.00 0.00 C ATOM 483 CG LEU A 35 -0.883 -2.671 1.051 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.915 -1.935 2.392 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.436 -1.812 -0.087 1.00 0.00 C ATOM 0 H LEU A 35 2.310 -4.964 0.029 1.00 0.00 H new ATOM 0 HA LEU A 35 1.184 -3.935 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.220 -2.328 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.562 -3.456 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.535 -3.540 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.930 -1.596 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.591 -2.609 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.246 -1.075 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.441 -1.475 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.790 -0.947 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.471 -2.401 -1.003 1.00 0.00 H new ATOM 497 N SER A 36 -0.362 -5.759 2.920 1.00 0.00 N ATOM 498 CA SER A 36 -1.308 -6.831 3.179 1.00 0.00 C ATOM 499 C SER A 36 -2.722 -6.260 3.310 1.00 0.00 C ATOM 500 O SER A 36 -2.963 -5.370 4.124 1.00 0.00 O ATOM 501 CB SER A 36 -0.930 -7.606 4.443 1.00 0.00 C ATOM 502 OG SER A 36 -0.842 -6.757 5.584 1.00 0.00 O ATOM 0 H SER A 36 -0.052 -5.254 3.750 1.00 0.00 H new ATOM 0 HA SER A 36 -1.278 -7.524 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.671 -8.384 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.026 -8.106 4.289 1.00 0.00 H new ATOM 0 HG SER A 36 -1.501 -6.036 5.507 1.00 0.00 H new ATOM 508 N TRP A 37 -3.619 -6.796 2.495 1.00 0.00 N ATOM 509 CA TRP A 37 -5.002 -6.351 2.510 1.00 0.00 C ATOM 510 C TRP A 37 -5.894 -7.583 2.676 1.00 0.00 C ATOM 511 O TRP A 37 -5.452 -8.708 2.449 1.00 0.00 O ATOM 512 CB TRP A 37 -5.331 -5.541 1.254 1.00 0.00 C ATOM 513 CG TRP A 37 -5.177 -6.326 -0.051 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.086 -7.097 -0.662 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.000 -6.384 -0.885 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.584 -7.646 -1.824 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.276 -7.199 -1.964 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.745 -5.769 -0.732 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.346 -7.474 -2.974 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.827 -6.054 -1.750 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.089 -6.872 -2.843 1.00 0.00 C ATOM 0 H TRP A 37 -3.415 -7.534 1.821 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.180 -5.676 3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.355 -5.176 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.682 -4.666 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.086 -7.267 -0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.082 -8.266 -2.463 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.508 -5.128 0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.586 -8.116 -3.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.846 -5.607 -1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.326 -7.042 -3.588 1.00 0.00 H new ATOM 532 N THR A 38 -7.132 -7.329 3.072 1.00 0.00 N ATOM 533 CA THR A 38 -8.090 -8.404 3.271 1.00 0.00 C ATOM 534 C THR A 38 -9.323 -8.190 2.391 1.00 0.00 C ATOM 535 O THR A 38 -10.102 -7.267 2.623 1.00 0.00 O ATOM 536 CB THR A 38 -8.414 -8.476 4.765 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.174 -8.826 5.373 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.339 -9.646 5.107 1.00 0.00 C ATOM 0 H THR A 38 -7.494 -6.394 3.261 1.00 0.00 H new ATOM 0 HA THR A 38 -7.676 -9.365 2.966 1.00 0.00 H new ATOM 0 HB THR A 38 -8.877 -7.541 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.293 -8.892 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.537 -9.652 6.179 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.278 -9.538 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.861 -10.583 4.822 1.00 0.00 H new ATOM 546 N PRO A 39 -9.465 -9.081 1.374 1.00 0.00 N ATOM 547 CA PRO A 39 -10.590 -8.999 0.458 1.00 0.00 C ATOM 548 C PRO A 39 -11.874 -9.499 1.122 1.00 0.00 C ATOM 549 O PRO A 39 -12.024 -10.695 1.370 1.00 0.00 O ATOM 550 CB PRO A 39 -10.179 -9.833 -0.745 1.00 0.00 C ATOM 551 CG PRO A 39 -9.045 -10.725 -0.266 1.00 0.00 C ATOM 552 CD PRO A 39 -8.561 -10.187 1.070 1.00 0.00 C ATOM 0 HA PRO A 39 -10.815 -7.976 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.015 -10.428 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.854 -9.197 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.387 -11.755 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.232 -10.732 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.600 -10.954 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.527 -9.848 1.009 1.00 0.00 H new ATOM 560 N GLY A 40 -12.768 -8.559 1.391 1.00 0.00 N ATOM 561 CA GLY A 40 -14.035 -8.889 2.020 1.00 0.00 C ATOM 562 C GLY A 40 -14.935 -9.675 1.064 1.00 0.00 C ATOM 563 O GLY A 40 -14.458 -10.531 0.320 1.00 0.00 O ATOM 0 H GLY A 40 -12.640 -7.568 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.856 -9.476 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.540 -7.974 2.331 1.00 0.00 H new ATOM 567 N ASP A 41 -16.220 -9.357 1.115 1.00 0.00 N ATOM 568 CA ASP A 41 -17.190 -10.023 0.263 1.00 0.00 C ATOM 569 C ASP A 41 -16.826 -9.781 -1.203 1.00 0.00 C ATOM 570 O ASP A 41 -16.069 -8.863 -1.515 1.00 0.00 O ATOM 571 CB ASP A 41 -18.598 -9.472 0.497 1.00 0.00 C ATOM 572 CG ASP A 41 -19.033 -9.408 1.963 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.456 -8.571 2.690 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.931 -10.199 2.323 1.00 0.00 O ATOM 0 H ASP A 41 -16.612 -8.647 1.733 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.174 -11.087 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.654 -8.469 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.309 -10.090 -0.051 1.00 0.00 H new ATOM 579 N ASP A 42 -17.381 -10.621 -2.064 1.00 0.00 N ATOM 580 CA ASP A 42 -17.123 -10.510 -3.490 1.00 0.00 C ATOM 581 C ASP A 42 -18.406 -10.077 -4.203 1.00 0.00 C ATOM 582 O ASP A 42 -18.365 -9.646 -5.354 1.00 0.00 O ATOM 583 CB ASP A 42 -16.686 -11.853 -4.077 1.00 0.00 C ATOM 584 CG ASP A 42 -15.793 -12.698 -3.165 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.665 -12.235 -2.890 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.259 -13.786 -2.764 1.00 0.00 O ATOM 0 H ASP A 42 -18.008 -11.381 -1.802 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.328 -9.779 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.576 -12.431 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.155 -11.669 -5.011 1.00 0.00 H new ATOM 591 N ASN A 43 -19.515 -10.208 -3.490 1.00 0.00 N ATOM 592 CA ASN A 43 -20.807 -9.836 -4.040 1.00 0.00 C ATOM 593 C ASN A 43 -21.085 -10.674 -5.289 1.00 0.00 C ATOM 594 O ASN A 43 -21.088 -10.152 -6.403 1.00 0.00 O ATOM 595 CB ASN A 43 -20.829 -8.361 -4.446 1.00 0.00 C ATOM 596 CG ASN A 43 -20.953 -7.456 -3.218 1.00 0.00 C ATOM 597 OD1 ASN A 43 -21.758 -6.540 -3.169 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.114 -7.763 -2.233 1.00 0.00 N ATOM 0 H ASN A 43 -19.545 -10.567 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.562 -10.010 -3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -19.918 -8.117 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.664 -8.179 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.119 -7.218 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.466 -8.543 -2.340 1.00 0.00 H new ATOM 605 N ASN A 44 -21.311 -11.960 -5.062 1.00 0.00 N ATOM 606 CA ASN A 44 -21.589 -12.875 -6.156 1.00 0.00 C ATOM 607 C ASN A 44 -20.343 -13.007 -7.034 1.00 0.00 C ATOM 608 O ASN A 44 -19.774 -14.091 -7.153 1.00 0.00 O ATOM 609 CB ASN A 44 -22.732 -12.357 -7.031 1.00 0.00 C ATOM 610 CG ASN A 44 -24.090 -12.665 -6.398 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.584 -13.780 -6.438 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.664 -11.618 -5.813 1.00 0.00 N ATOM 0 H ASN A 44 -21.307 -12.390 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.871 -13.837 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.628 -11.281 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.675 -12.815 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.573 -11.721 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.196 -10.712 -5.816 1.00 0.00 H new ATOM 619 N SER A 45 -19.956 -11.887 -7.628 1.00 0.00 N ATOM 620 CA SER A 45 -18.788 -11.864 -8.492 1.00 0.00 C ATOM 621 C SER A 45 -17.514 -12.001 -7.655 1.00 0.00 C ATOM 622 O SER A 45 -17.214 -11.140 -6.829 1.00 0.00 O ATOM 623 CB SER A 45 -18.742 -10.579 -9.321 1.00 0.00 C ATOM 624 OG SER A 45 -19.417 -10.724 -10.568 1.00 0.00 O ATOM 0 H SER A 45 -20.430 -10.990 -7.528 1.00 0.00 H new ATOM 0 HA SER A 45 -18.855 -12.707 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.197 -9.766 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.704 -10.301 -9.501 1.00 0.00 H new ATOM 0 HG SER A 45 -20.385 -10.727 -10.417 1.00 0.00 H new ATOM 630 N PRO A 46 -16.781 -13.118 -7.903 1.00 0.00 N ATOM 631 CA PRO A 46 -15.547 -13.379 -7.182 1.00 0.00 C ATOM 632 C PRO A 46 -14.415 -12.482 -7.688 1.00 0.00 C ATOM 633 O PRO A 46 -14.260 -12.294 -8.894 1.00 0.00 O ATOM 634 CB PRO A 46 -15.272 -14.859 -7.395 1.00 0.00 C ATOM 635 CG PRO A 46 -16.101 -15.268 -8.601 1.00 0.00 C ATOM 636 CD PRO A 46 -17.105 -14.160 -8.874 1.00 0.00 C ATOM 0 HA PRO A 46 -15.625 -13.151 -6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.211 -15.038 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.551 -15.439 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.461 -15.425 -9.469 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.615 -16.210 -8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.018 -13.790 -9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.128 -14.513 -8.749 1.00 0.00 H new ATOM 644 N ILE A 47 -13.655 -11.952 -6.742 1.00 0.00 N ATOM 645 CA ILE A 47 -12.542 -11.079 -7.077 1.00 0.00 C ATOM 646 C ILE A 47 -11.694 -11.737 -8.168 1.00 0.00 C ATOM 647 O ILE A 47 -11.505 -12.952 -8.163 1.00 0.00 O ATOM 648 CB ILE A 47 -11.751 -10.713 -5.820 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.705 -9.196 -5.624 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.351 -11.329 -5.854 1.00 0.00 C ATOM 651 CD1 ILE A 47 -10.819 -8.533 -6.681 1.00 0.00 C ATOM 0 H ILE A 47 -13.787 -12.110 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.907 -10.135 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.267 -11.134 -4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.714 -8.788 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.324 -8.966 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.810 -11.053 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.432 -12.414 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.812 -10.959 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.804 -7.455 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.805 -8.926 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.216 -8.745 -7.674 1.00 0.00 H new ATOM 663 N THR A 48 -11.206 -10.905 -9.076 1.00 0.00 N ATOM 664 CA THR A 48 -10.383 -11.390 -10.170 1.00 0.00 C ATOM 665 C THR A 48 -9.022 -10.690 -10.165 1.00 0.00 C ATOM 666 O THR A 48 -8.010 -11.290 -10.523 1.00 0.00 O ATOM 667 CB THR A 48 -11.162 -11.194 -11.472 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.631 -9.850 -11.396 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.441 -12.032 -11.521 1.00 0.00 C ATOM 0 H THR A 48 -11.365 -9.897 -9.076 1.00 0.00 H new ATOM 0 HA THR A 48 -10.167 -12.453 -10.061 1.00 0.00 H new ATOM 0 HB THR A 48 -10.526 -11.453 -12.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.150 -9.375 -10.686 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.956 -11.856 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.187 -13.089 -11.438 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.093 -11.750 -10.694 1.00 0.00 H new ATOM 677 N LYS A 49 -9.043 -9.430 -9.755 1.00 0.00 N ATOM 678 CA LYS A 49 -7.823 -8.642 -9.699 1.00 0.00 C ATOM 679 C LYS A 49 -7.906 -7.666 -8.523 1.00 0.00 C ATOM 680 O LYS A 49 -8.997 -7.342 -8.057 1.00 0.00 O ATOM 681 CB LYS A 49 -7.561 -7.963 -11.045 1.00 0.00 C ATOM 682 CG LYS A 49 -6.957 -6.572 -10.848 1.00 0.00 C ATOM 683 CD LYS A 49 -6.623 -5.924 -12.194 1.00 0.00 C ATOM 684 CE LYS A 49 -7.880 -5.762 -13.051 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.746 -6.520 -14.315 1.00 0.00 N ATOM 0 H LYS A 49 -9.885 -8.936 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.961 -9.285 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.884 -8.576 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.493 -7.883 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.658 -5.941 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.054 -6.646 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.163 -4.950 -12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.893 -6.535 -12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.751 -6.114 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.046 -4.707 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.607 -6.400 -14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.926 -6.165 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.610 -7.529 -14.102 1.00 0.00 H new ATOM 699 N PHE A 50 -6.738 -7.225 -8.079 1.00 0.00 N ATOM 700 CA PHE A 50 -6.665 -6.293 -6.967 1.00 0.00 C ATOM 701 C PHE A 50 -5.695 -5.150 -7.273 1.00 0.00 C ATOM 702 O PHE A 50 -4.479 -5.326 -7.198 1.00 0.00 O ATOM 703 CB PHE A 50 -6.146 -7.077 -5.759 1.00 0.00 C ATOM 704 CG PHE A 50 -7.211 -7.933 -5.070 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.289 -7.341 -4.490 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.078 -9.286 -5.037 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.276 -8.136 -3.850 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.065 -10.081 -4.398 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.144 -9.489 -3.818 1.00 0.00 C ATOM 0 H PHE A 50 -5.835 -7.496 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.648 -5.860 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.328 -7.722 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.733 -6.376 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.394 -6.266 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.221 -9.756 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.132 -7.666 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.960 -11.156 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.896 -10.094 -3.332 1.00 0.00 H new ATOM 719 N ILE A 51 -6.268 -4.004 -7.611 1.00 0.00 N ATOM 720 CA ILE A 51 -5.469 -2.833 -7.928 1.00 0.00 C ATOM 721 C ILE A 51 -5.199 -2.042 -6.646 1.00 0.00 C ATOM 722 O ILE A 51 -5.951 -2.146 -5.679 1.00 0.00 O ATOM 723 CB ILE A 51 -6.140 -2.009 -9.029 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.356 -2.850 -10.289 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.346 -0.734 -9.321 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.823 -2.820 -10.723 1.00 0.00 C ATOM 0 H ILE A 51 -7.276 -3.862 -7.672 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.500 -3.130 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.124 -1.702 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.727 -2.472 -11.095 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.050 -3.879 -10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.845 -0.167 -10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.287 -0.127 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.340 -0.998 -9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.949 -3.425 -11.621 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.447 -3.221 -9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.119 -1.792 -10.934 1.00 0.00 H new ATOM 738 N ILE A 52 -4.123 -1.270 -6.681 1.00 0.00 N ATOM 739 CA ILE A 52 -3.745 -0.462 -5.534 1.00 0.00 C ATOM 740 C ILE A 52 -3.433 0.962 -5.999 1.00 0.00 C ATOM 741 O ILE A 52 -3.170 1.190 -7.179 1.00 0.00 O ATOM 742 CB ILE A 52 -2.598 -1.124 -4.768 1.00 0.00 C ATOM 743 CG1 ILE A 52 -3.040 -2.457 -4.162 1.00 0.00 C ATOM 744 CG2 ILE A 52 -2.025 -0.176 -3.712 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.186 -3.610 -4.691 1.00 0.00 C ATOM 0 H ILE A 52 -3.501 -1.187 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.572 -0.393 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.797 -1.342 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.962 -2.410 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.088 -2.638 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.211 -0.671 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.647 0.724 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.808 0.095 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.521 -4.546 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.286 -3.669 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.141 -3.438 -4.432 1.00 0.00 H new ATOM 757 N GLU A 53 -3.472 1.883 -5.048 1.00 0.00 N ATOM 758 CA GLU A 53 -3.196 3.279 -5.345 1.00 0.00 C ATOM 759 C GLU A 53 -2.656 3.989 -4.103 1.00 0.00 C ATOM 760 O GLU A 53 -2.736 3.459 -2.996 1.00 0.00 O ATOM 761 CB GLU A 53 -4.446 3.982 -5.879 1.00 0.00 C ATOM 762 CG GLU A 53 -4.844 3.427 -7.248 1.00 0.00 C ATOM 763 CD GLU A 53 -5.852 4.347 -7.941 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.608 5.573 -7.921 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.844 3.804 -8.473 1.00 0.00 O ATOM 0 H GLU A 53 -3.691 1.690 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.434 3.322 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.269 3.852 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.260 5.053 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.957 3.318 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.275 2.433 -7.130 1.00 0.00 H new ATOM 772 N TYR A 54 -2.117 5.179 -4.328 1.00 0.00 N ATOM 773 CA TYR A 54 -1.563 5.968 -3.241 1.00 0.00 C ATOM 774 C TYR A 54 -1.688 7.465 -3.531 1.00 0.00 C ATOM 775 O TYR A 54 -1.695 7.878 -4.690 1.00 0.00 O ATOM 776 CB TYR A 54 -0.081 5.597 -3.164 1.00 0.00 C ATOM 777 CG TYR A 54 0.768 6.187 -4.292 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.211 7.492 -4.212 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.090 5.415 -5.390 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.010 8.047 -5.274 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.888 5.970 -6.451 1.00 0.00 C ATOM 782 CZ TYR A 54 2.309 7.259 -6.341 1.00 0.00 C ATOM 783 OH TYR A 54 3.063 7.783 -7.344 1.00 0.00 O ATOM 0 H TYR A 54 -2.052 5.616 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.093 5.766 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.318 5.935 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.013 4.511 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.959 8.097 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.743 4.394 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.364 9.066 -5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.147 5.377 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 54 3.198 7.106 -8.040 1.00 0.00 H new ATOM 793 N GLU A 55 -1.784 8.237 -2.458 1.00 0.00 N ATOM 794 CA GLU A 55 -1.909 9.679 -2.583 1.00 0.00 C ATOM 795 C GLU A 55 -0.730 10.374 -1.899 1.00 0.00 C ATOM 796 O GLU A 55 -0.335 9.995 -0.798 1.00 0.00 O ATOM 797 CB GLU A 55 -3.241 10.166 -2.010 1.00 0.00 C ATOM 798 CG GLU A 55 -3.384 9.766 -0.540 1.00 0.00 C ATOM 799 CD GLU A 55 -3.748 10.975 0.324 1.00 0.00 C ATOM 800 OE1 GLU A 55 -4.907 11.427 0.208 1.00 0.00 O ATOM 801 OE2 GLU A 55 -2.859 11.419 1.082 1.00 0.00 O ATOM 0 H GLU A 55 -1.778 7.891 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.892 9.936 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.307 11.250 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.065 9.746 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.152 8.999 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.450 9.329 -0.186 1.00 0.00 H new ATOM 808 N ASP A 56 -0.201 11.380 -2.580 1.00 0.00 N ATOM 809 CA ASP A 56 0.924 12.132 -2.052 1.00 0.00 C ATOM 810 C ASP A 56 0.411 13.189 -1.072 1.00 0.00 C ATOM 811 O ASP A 56 -0.036 14.258 -1.485 1.00 0.00 O ATOM 812 CB ASP A 56 1.680 12.852 -3.171 1.00 0.00 C ATOM 813 CG ASP A 56 2.957 13.570 -2.731 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.810 12.889 -2.122 1.00 0.00 O ATOM 815 OD2 ASP A 56 3.052 14.784 -3.013 1.00 0.00 O ATOM 0 H ASP A 56 -0.531 11.692 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 56 1.595 11.430 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.937 12.125 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.012 13.580 -3.630 1.00 0.00 H new ATOM 820 N ALA A 57 0.493 12.854 0.207 1.00 0.00 N ATOM 821 CA ALA A 57 0.042 13.761 1.249 1.00 0.00 C ATOM 822 C ALA A 57 1.194 14.686 1.647 1.00 0.00 C ATOM 823 O ALA A 57 1.139 15.339 2.688 1.00 0.00 O ATOM 824 CB ALA A 57 -0.493 12.953 2.433 1.00 0.00 C ATOM 0 H ALA A 57 0.865 11.967 0.546 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.774 14.387 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.831 13.633 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.328 12.335 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.299 12.315 2.825 1.00 0.00 H new ATOM 830 N MET A 58 2.210 14.713 0.797 1.00 0.00 N ATOM 831 CA MET A 58 3.373 15.548 1.047 1.00 0.00 C ATOM 832 C MET A 58 3.340 16.808 0.180 1.00 0.00 C ATOM 833 O MET A 58 3.944 17.821 0.529 1.00 0.00 O ATOM 834 CB MET A 58 4.645 14.753 0.745 1.00 0.00 C ATOM 835 CG MET A 58 5.877 15.452 1.324 1.00 0.00 C ATOM 836 SD MET A 58 7.339 14.481 0.998 1.00 0.00 S ATOM 837 CE MET A 58 7.696 13.895 2.645 1.00 0.00 C ATOM 0 H MET A 58 2.252 14.170 -0.066 1.00 0.00 H new ATOM 0 HA MET A 58 3.362 15.851 2.094 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.560 13.751 1.164 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.760 14.639 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.983 16.443 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.755 15.591 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.524 14.467 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.815 14.019 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.967 12.840 2.605 1.00 0.00 H new ATOM 847 N HIS A 59 2.628 16.704 -0.932 1.00 0.00 N ATOM 848 CA HIS A 59 2.508 17.823 -1.851 1.00 0.00 C ATOM 849 C HIS A 59 1.047 17.987 -2.274 1.00 0.00 C ATOM 850 O HIS A 59 0.404 18.978 -1.930 1.00 0.00 O ATOM 851 CB HIS A 59 3.454 17.652 -3.041 1.00 0.00 C ATOM 852 CG HIS A 59 4.865 17.279 -2.656 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.241 15.981 -2.354 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.987 18.044 -2.527 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.533 15.978 -2.057 1.00 0.00 C ATOM 856 NE2 HIS A 59 6.993 17.258 -2.165 1.00 0.00 N ATOM 0 H HIS A 59 2.128 15.862 -1.218 1.00 0.00 H new ATOM 0 HA HIS A 59 2.810 18.743 -1.350 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.054 16.884 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.477 18.582 -3.610 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.628 15.166 -2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.047 19.110 -2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.118 15.114 -1.779 1.00 0.00 H new ATOM 864 N LYS A 60 0.564 16.999 -3.014 1.00 0.00 N ATOM 865 CA LYS A 60 -0.809 17.021 -3.487 1.00 0.00 C ATOM 866 C LYS A 60 -1.585 15.871 -2.840 1.00 0.00 C ATOM 867 O LYS A 60 -1.606 14.759 -3.365 1.00 0.00 O ATOM 868 CB LYS A 60 -0.849 17.006 -5.016 1.00 0.00 C ATOM 869 CG LYS A 60 -0.332 18.326 -5.591 1.00 0.00 C ATOM 870 CD LYS A 60 -1.408 19.018 -6.430 1.00 0.00 C ATOM 871 CE LYS A 60 -1.526 18.371 -7.812 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.927 18.416 -8.287 1.00 0.00 N ATOM 0 H LYS A 60 1.100 16.178 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.301 17.947 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.244 16.180 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.870 16.833 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.021 18.983 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.549 18.139 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.367 18.962 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.165 20.075 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.879 18.890 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.184 17.337 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.990 17.973 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.536 17.901 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.241 19.406 -8.350 1.00 0.00 H new ATOM 886 N PRO A 61 -2.220 16.188 -1.680 1.00 0.00 N ATOM 887 CA PRO A 61 -2.995 15.194 -0.956 1.00 0.00 C ATOM 888 C PRO A 61 -4.330 14.926 -1.654 1.00 0.00 C ATOM 889 O PRO A 61 -4.965 15.848 -2.162 1.00 0.00 O ATOM 890 CB PRO A 61 -3.160 15.767 0.442 1.00 0.00 C ATOM 891 CG PRO A 61 -2.877 17.255 0.320 1.00 0.00 C ATOM 892 CD PRO A 61 -2.217 17.494 -1.029 1.00 0.00 C ATOM 0 HA PRO A 61 -2.503 14.222 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.167 15.591 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.470 15.295 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.801 17.827 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.225 17.587 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.768 18.230 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.203 17.875 -0.911 1.00 0.00 H new ATOM 900 N GLY A 62 -4.716 13.658 -1.655 1.00 0.00 N ATOM 901 CA GLY A 62 -5.964 13.256 -2.281 1.00 0.00 C ATOM 902 C GLY A 62 -5.721 12.725 -3.696 1.00 0.00 C ATOM 903 O GLY A 62 -6.485 11.899 -4.192 1.00 0.00 O ATOM 0 H GLY A 62 -4.186 12.896 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.446 12.487 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.646 14.105 -2.319 1.00 0.00 H new ATOM 907 N LEU A 63 -4.654 13.221 -4.304 1.00 0.00 N ATOM 908 CA LEU A 63 -4.300 12.807 -5.652 1.00 0.00 C ATOM 909 C LEU A 63 -3.781 11.369 -5.619 1.00 0.00 C ATOM 910 O LEU A 63 -2.612 11.134 -5.317 1.00 0.00 O ATOM 911 CB LEU A 63 -3.320 13.801 -6.278 1.00 0.00 C ATOM 912 CG LEU A 63 -3.196 13.750 -7.802 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.495 14.200 -8.474 1.00 0.00 C ATOM 914 CD2 LEU A 63 -1.991 14.563 -8.281 1.00 0.00 C ATOM 0 H LEU A 63 -4.023 13.906 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.179 12.814 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.622 14.808 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.334 13.629 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.024 12.715 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.379 14.154 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.309 13.543 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.723 15.224 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.925 14.510 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.108 15.602 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.080 14.156 -7.842 1.00 0.00 H new ATOM 926 N TRP A 64 -4.675 10.443 -5.934 1.00 0.00 N ATOM 927 CA TRP A 64 -4.321 9.034 -5.944 1.00 0.00 C ATOM 928 C TRP A 64 -3.686 8.715 -7.299 1.00 0.00 C ATOM 929 O TRP A 64 -4.037 9.321 -8.310 1.00 0.00 O ATOM 930 CB TRP A 64 -5.538 8.160 -5.633 1.00 0.00 C ATOM 931 CG TRP A 64 -6.191 8.461 -4.283 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.207 9.296 -4.025 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.830 7.890 -3.007 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.526 9.305 -2.682 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.662 8.423 -2.044 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.834 6.954 -2.679 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.582 8.082 -0.688 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.767 6.624 -1.320 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.597 7.151 -0.338 1.00 0.00 C ATOM 0 H TRP A 64 -5.644 10.641 -6.184 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.597 8.813 -5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.279 8.293 -6.421 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.235 7.113 -5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.713 9.888 -4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.261 9.857 -2.239 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.173 6.524 -3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.244 8.514 0.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.017 5.910 -1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.483 6.844 0.691 1.00 0.00 H new ATOM 950 N HIS A 65 -2.764 7.765 -7.276 1.00 0.00 N ATOM 951 CA HIS A 65 -2.077 7.359 -8.491 1.00 0.00 C ATOM 952 C HIS A 65 -2.081 5.832 -8.596 1.00 0.00 C ATOM 953 O HIS A 65 -2.298 5.138 -7.604 1.00 0.00 O ATOM 954 CB HIS A 65 -0.668 7.953 -8.543 1.00 0.00 C ATOM 955 CG HIS A 65 -0.638 9.462 -8.551 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.789 10.209 -9.707 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.475 10.356 -7.534 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.716 11.493 -9.388 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.521 11.582 -8.040 1.00 0.00 N ATOM 0 H HIS A 65 -2.476 7.264 -6.435 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.605 7.750 -9.360 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.101 7.593 -7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.162 7.585 -9.436 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.932 9.834 -10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.333 10.108 -6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.797 12.323 -10.074 1.00 0.00 H new ATOM 967 N HIS A 66 -1.839 5.355 -9.808 1.00 0.00 N ATOM 968 CA HIS A 66 -1.812 3.923 -10.057 1.00 0.00 C ATOM 969 C HIS A 66 -0.507 3.334 -9.520 1.00 0.00 C ATOM 970 O HIS A 66 0.577 3.715 -9.958 1.00 0.00 O ATOM 971 CB HIS A 66 -2.031 3.625 -11.542 1.00 0.00 C ATOM 972 CG HIS A 66 -2.883 2.407 -11.805 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.553 1.146 -11.339 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.055 2.270 -12.488 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.491 0.296 -11.731 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.421 0.995 -12.444 1.00 0.00 N ATOM 0 H HIS A 66 -1.660 5.934 -10.628 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.633 3.442 -9.525 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.499 4.491 -12.011 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.062 3.488 -12.021 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.595 3.065 -12.982 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.515 -0.763 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.259 0.602 -12.873 1.00 0.00 H new ATOM 984 N GLN A 67 -0.654 2.413 -8.578 1.00 0.00 N ATOM 985 CA GLN A 67 0.500 1.767 -7.977 1.00 0.00 C ATOM 986 C GLN A 67 0.789 0.437 -8.677 1.00 0.00 C ATOM 987 O GLN A 67 1.718 0.342 -9.477 1.00 0.00 O ATOM 988 CB GLN A 67 0.293 1.562 -6.475 1.00 0.00 C ATOM 989 CG GLN A 67 1.444 0.758 -5.867 1.00 0.00 C ATOM 990 CD GLN A 67 2.117 1.536 -4.734 1.00 0.00 C ATOM 991 OE1 GLN A 67 1.503 2.331 -4.042 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.411 1.263 -4.585 1.00 0.00 N ATOM 0 H GLN A 67 -1.555 2.099 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 67 1.364 2.418 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.219 2.530 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.649 1.042 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.068 -0.192 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.177 0.525 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.863 0.586 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.950 1.731 -3.856 1.00 0.00 H new ATOM 1001 N THR A 68 -0.025 -0.556 -8.349 1.00 0.00 N ATOM 1002 CA THR A 68 0.131 -1.876 -8.937 1.00 0.00 C ATOM 1003 C THR A 68 -1.092 -2.743 -8.633 1.00 0.00 C ATOM 1004 O THR A 68 -1.940 -2.366 -7.826 1.00 0.00 O ATOM 1005 CB THR A 68 1.442 -2.472 -8.418 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.637 -3.633 -9.221 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.313 -3.020 -6.996 1.00 0.00 C ATOM 0 H THR A 68 -0.794 -0.473 -7.684 1.00 0.00 H new ATOM 0 HA THR A 68 0.189 -1.821 -10.024 1.00 0.00 H new ATOM 0 HB THR A 68 2.222 -1.711 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.467 -4.081 -8.953 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.271 -3.431 -6.676 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.020 -2.216 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.557 -3.805 -6.976 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.146 -3.888 -9.297 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.251 -4.812 -9.109 1.00 0.00 C ATOM 1017 C GLU A 69 -1.750 -6.257 -9.155 1.00 0.00 C ATOM 1018 O GLU A 69 -0.626 -6.514 -9.584 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.345 -4.578 -10.152 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.852 -4.939 -11.555 1.00 0.00 C ATOM 1021 CD GLU A 69 -3.029 -6.433 -11.830 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.994 -7.002 -11.276 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.194 -6.973 -12.588 1.00 0.00 O ATOM 0 H GLU A 69 -0.441 -4.197 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.686 -4.631 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.222 -5.177 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.656 -3.534 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.402 -4.361 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.801 -4.669 -11.656 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.607 -7.162 -8.707 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.266 -8.574 -8.692 1.00 0.00 C ATOM 1032 C VAL A 70 -3.499 -9.397 -9.070 1.00 0.00 C ATOM 1033 O VAL A 70 -4.543 -8.839 -9.402 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.686 -8.957 -7.329 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.197 -8.616 -7.251 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.463 -8.286 -6.194 1.00 0.00 C ATOM 0 H VAL A 70 -3.538 -6.945 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.494 -8.788 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.789 -10.036 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.190 -8.898 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.342 -9.161 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.061 -7.545 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.030 -8.575 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.407 -7.203 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.506 -8.601 -6.231 1.00 0.00 H new ATOM 1046 N SER A 71 -3.336 -10.710 -9.007 1.00 0.00 N ATOM 1047 CA SER A 71 -4.423 -11.615 -9.339 1.00 0.00 C ATOM 1048 C SER A 71 -5.552 -11.475 -8.316 1.00 0.00 C ATOM 1049 O SER A 71 -5.403 -10.778 -7.314 1.00 0.00 O ATOM 1050 CB SER A 71 -3.936 -13.065 -9.395 1.00 0.00 C ATOM 1051 OG SER A 71 -4.566 -13.800 -10.440 1.00 0.00 O ATOM 0 H SER A 71 -2.468 -11.169 -8.731 1.00 0.00 H new ATOM 0 HA SER A 71 -4.800 -11.348 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.856 -13.079 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.134 -13.551 -8.440 1.00 0.00 H new ATOM 0 HG SER A 71 -4.227 -14.720 -10.443 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.657 -12.147 -8.605 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.811 -12.105 -7.723 1.00 0.00 C ATOM 1059 C GLY A 72 -7.688 -13.148 -6.610 1.00 0.00 C ATOM 1060 O GLY A 72 -8.672 -13.472 -5.947 1.00 0.00 O ATOM 0 H GLY A 72 -6.777 -12.724 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.903 -11.111 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.719 -12.286 -8.298 1.00 0.00 H new ATOM 1064 N THR A 73 -6.471 -13.644 -6.440 1.00 0.00 N ATOM 1065 CA THR A 73 -6.207 -14.643 -5.419 1.00 0.00 C ATOM 1066 C THR A 73 -5.062 -14.188 -4.511 1.00 0.00 C ATOM 1067 O THR A 73 -4.706 -14.882 -3.560 1.00 0.00 O ATOM 1068 CB THR A 73 -5.933 -15.975 -6.120 1.00 0.00 C ATOM 1069 OG1 THR A 73 -7.119 -16.735 -5.897 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.836 -16.787 -5.428 1.00 0.00 C ATOM 0 H THR A 73 -5.657 -13.373 -6.992 1.00 0.00 H new ATOM 0 HA THR A 73 -7.068 -14.775 -4.763 1.00 0.00 H new ATOM 0 HB THR A 73 -5.648 -15.788 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.028 -17.614 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.682 -17.722 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.909 -16.214 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.136 -17.003 -4.403 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.518 -13.025 -4.836 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.421 -12.469 -4.062 1.00 0.00 C ATOM 1080 C GLN A 74 -3.961 -11.579 -2.941 1.00 0.00 C ATOM 1081 O GLN A 74 -5.125 -11.183 -2.964 1.00 0.00 O ATOM 1082 CB GLN A 74 -2.454 -11.694 -4.960 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.107 -12.412 -5.062 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.067 -11.759 -4.149 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.047 -11.960 -2.945 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.792 -10.969 -4.785 1.00 0.00 N ATOM 0 H GLN A 74 -4.816 -12.452 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.866 -13.292 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.886 -11.581 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.306 -10.691 -4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.228 -13.460 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.756 -12.389 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.719 -10.845 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.524 -10.487 -4.263 1.00 0.00 H new ATOM 1095 N THR A 75 -3.089 -11.291 -1.986 1.00 0.00 N ATOM 1096 CA THR A 75 -3.463 -10.456 -0.858 1.00 0.00 C ATOM 1097 C THR A 75 -2.239 -9.716 -0.313 1.00 0.00 C ATOM 1098 O THR A 75 -2.260 -9.219 0.812 1.00 0.00 O ATOM 1099 CB THR A 75 -4.148 -11.344 0.182 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.093 -12.148 0.702 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.108 -12.354 -0.451 1.00 0.00 C ATOM 0 H THR A 75 -2.124 -11.621 -1.971 1.00 0.00 H new ATOM 0 HA THR A 75 -4.167 -9.680 -1.158 1.00 0.00 H new ATOM 0 HB THR A 75 -4.693 -10.719 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.449 -12.753 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.567 -12.959 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.884 -11.823 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.557 -13.001 -1.134 1.00 0.00 H new ATOM 1109 N THR A 76 -1.202 -9.667 -1.136 1.00 0.00 N ATOM 1110 CA THR A 76 0.028 -8.996 -0.751 1.00 0.00 C ATOM 1111 C THR A 76 0.800 -8.545 -1.992 1.00 0.00 C ATOM 1112 O THR A 76 1.121 -9.358 -2.858 1.00 0.00 O ATOM 1113 CB THR A 76 0.823 -9.946 0.147 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.591 -11.234 -0.417 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.236 -10.046 1.557 1.00 0.00 C ATOM 0 H THR A 76 -1.188 -10.081 -2.068 1.00 0.00 H new ATOM 0 HA THR A 76 -0.177 -8.087 -0.186 1.00 0.00 H new ATOM 0 HB THR A 76 1.858 -9.608 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.610 -11.171 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.837 -10.732 2.153 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.240 -9.061 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.788 -10.416 1.500 1.00 0.00 H new ATOM 1123 N ALA A 77 1.077 -7.250 -2.039 1.00 0.00 N ATOM 1124 CA ALA A 77 1.806 -6.681 -3.160 1.00 0.00 C ATOM 1125 C ALA A 77 2.903 -5.755 -2.632 1.00 0.00 C ATOM 1126 O ALA A 77 2.723 -5.092 -1.611 1.00 0.00 O ATOM 1127 CB ALA A 77 0.829 -5.958 -4.090 1.00 0.00 C ATOM 0 H ALA A 77 0.810 -6.579 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 77 2.289 -7.466 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.375 -5.531 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.088 -6.666 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.327 -5.161 -3.542 1.00 0.00 H new ATOM 1133 N GLN A 78 4.016 -5.737 -3.351 1.00 0.00 N ATOM 1134 CA GLN A 78 5.142 -4.903 -2.967 1.00 0.00 C ATOM 1135 C GLN A 78 4.886 -3.449 -3.368 1.00 0.00 C ATOM 1136 O GLN A 78 4.596 -3.163 -4.529 1.00 0.00 O ATOM 1137 CB GLN A 78 6.443 -5.421 -3.583 1.00 0.00 C ATOM 1138 CG GLN A 78 7.238 -6.247 -2.570 1.00 0.00 C ATOM 1139 CD GLN A 78 8.170 -7.233 -3.278 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.330 -6.956 -3.535 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.600 -8.397 -3.577 1.00 0.00 N ATOM 0 H GLN A 78 4.162 -6.287 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 78 5.249 -4.947 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.218 -6.031 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.047 -4.581 -3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.822 -5.583 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.552 -6.791 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.624 -8.564 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.139 -9.122 -4.050 1.00 0.00 H new ATOM 1150 N LEU A 79 5.003 -2.568 -2.385 1.00 0.00 N ATOM 1151 CA LEU A 79 4.788 -1.151 -2.621 1.00 0.00 C ATOM 1152 C LEU A 79 6.141 -0.444 -2.722 1.00 0.00 C ATOM 1153 O LEU A 79 6.948 -0.506 -1.795 1.00 0.00 O ATOM 1154 CB LEU A 79 3.865 -0.563 -1.552 1.00 0.00 C ATOM 1155 CG LEU A 79 2.467 -1.179 -1.460 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.465 -0.180 -0.879 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.016 -1.720 -2.819 1.00 0.00 C ATOM 0 H LEU A 79 5.244 -2.809 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 79 4.276 -0.997 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.351 -0.669 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.758 0.505 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 79 2.511 -2.026 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.480 -0.643 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.783 0.115 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.417 0.701 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.020 -2.152 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.993 -0.907 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.714 -2.487 -3.155 1.00 0.00 H new ATOM 1169 N ASN A 80 6.348 0.212 -3.854 1.00 0.00 N ATOM 1170 CA ASN A 80 7.589 0.930 -4.087 1.00 0.00 C ATOM 1171 C ASN A 80 7.506 2.310 -3.434 1.00 0.00 C ATOM 1172 O ASN A 80 6.767 3.177 -3.898 1.00 0.00 O ATOM 1173 CB ASN A 80 7.837 1.129 -5.584 1.00 0.00 C ATOM 1174 CG ASN A 80 8.114 -0.206 -6.277 1.00 0.00 C ATOM 1175 OD1 ASN A 80 7.226 -1.010 -6.511 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.392 -0.398 -6.591 1.00 0.00 N ATOM 0 H ASN A 80 5.677 0.261 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 80 8.403 0.343 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.969 1.606 -6.040 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.683 1.801 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.679 -1.259 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.085 0.316 -6.367 1.00 0.00 H new ATOM 1183 N LEU A 81 8.273 2.472 -2.366 1.00 0.00 N ATOM 1184 CA LEU A 81 8.295 3.732 -1.643 1.00 0.00 C ATOM 1185 C LEU A 81 9.592 4.477 -1.965 1.00 0.00 C ATOM 1186 O LEU A 81 10.613 3.855 -2.256 1.00 0.00 O ATOM 1187 CB LEU A 81 8.075 3.497 -0.148 1.00 0.00 C ATOM 1188 CG LEU A 81 6.879 2.618 0.225 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.534 2.761 1.708 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.678 2.917 -0.674 1.00 0.00 C ATOM 0 H LEU A 81 8.884 1.751 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 81 7.472 4.370 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.976 3.044 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.954 4.465 0.338 1.00 0.00 H new ATOM 0 HG LEU A 81 7.155 1.577 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.681 2.126 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.390 2.460 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.285 3.800 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.842 2.279 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.391 3.963 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.944 2.723 -1.713 1.00 0.00 H new ATOM 1202 N SER A 82 9.510 5.798 -1.900 1.00 0.00 N ATOM 1203 CA SER A 82 10.665 6.634 -2.181 1.00 0.00 C ATOM 1204 C SER A 82 10.943 7.558 -0.994 1.00 0.00 C ATOM 1205 O SER A 82 10.063 7.795 -0.168 1.00 0.00 O ATOM 1206 CB SER A 82 10.454 7.455 -3.455 1.00 0.00 C ATOM 1207 OG SER A 82 10.790 6.718 -4.627 1.00 0.00 O ATOM 0 H SER A 82 8.662 6.310 -1.657 1.00 0.00 H new ATOM 0 HA SER A 82 11.527 5.985 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.413 7.773 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.061 8.359 -3.409 1.00 0.00 H new ATOM 0 HG SER A 82 10.640 7.276 -5.419 1.00 0.00 H new ATOM 1213 N PRO A 83 12.203 8.067 -0.945 1.00 0.00 N ATOM 1214 CA PRO A 83 12.608 8.960 0.128 1.00 0.00 C ATOM 1215 C PRO A 83 12.014 10.356 -0.067 1.00 0.00 C ATOM 1216 O PRO A 83 11.936 10.850 -1.191 1.00 0.00 O ATOM 1217 CB PRO A 83 14.128 8.951 0.094 1.00 0.00 C ATOM 1218 CG PRO A 83 14.511 8.427 -1.280 1.00 0.00 C ATOM 1219 CD PRO A 83 13.271 7.808 -1.906 1.00 0.00 C ATOM 0 HA PRO A 83 12.243 8.639 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.528 9.952 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.533 8.315 0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.891 9.236 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.307 7.687 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.050 8.257 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.403 6.739 -2.073 1.00 0.00 H new ATOM 1227 N TYR A 84 11.610 10.953 1.045 1.00 0.00 N ATOM 1228 CA TYR A 84 11.025 12.282 1.010 1.00 0.00 C ATOM 1229 C TYR A 84 9.706 12.281 0.234 1.00 0.00 C ATOM 1230 O TYR A 84 9.403 13.234 -0.482 1.00 0.00 O ATOM 1231 CB TYR A 84 12.033 13.168 0.277 1.00 0.00 C ATOM 1232 CG TYR A 84 13.487 12.928 0.689 1.00 0.00 C ATOM 1233 CD1 TYR A 84 13.944 13.389 1.907 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.341 12.251 -0.158 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.313 13.163 2.295 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.710 12.026 0.230 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.128 12.493 1.437 1.00 0.00 C ATOM 1238 OH TYR A 84 17.420 12.279 1.803 1.00 0.00 O ATOM 0 H TYR A 84 11.676 10.540 1.975 1.00 0.00 H new ATOM 0 HA TYR A 84 10.815 12.635 2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 84 11.937 12.999 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 84 11.782 14.213 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.275 13.919 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 84 13.983 11.890 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.683 13.518 3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.389 11.498 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 84 17.884 11.788 1.093 1.00 0.00 H new ATOM 1248 N VAL A 85 8.957 11.201 0.404 1.00 0.00 N ATOM 1249 CA VAL A 85 7.678 11.064 -0.272 1.00 0.00 C ATOM 1250 C VAL A 85 6.678 10.393 0.672 1.00 0.00 C ATOM 1251 O VAL A 85 6.796 9.203 0.963 1.00 0.00 O ATOM 1252 CB VAL A 85 7.861 10.305 -1.588 1.00 0.00 C ATOM 1253 CG1 VAL A 85 6.678 10.546 -2.528 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.182 10.683 -2.260 1.00 0.00 C ATOM 0 H VAL A 85 9.211 10.413 1.000 1.00 0.00 H new ATOM 0 HA VAL A 85 7.275 12.043 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 85 7.895 9.240 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.833 9.996 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.759 10.204 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.598 11.611 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.287 10.129 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.191 11.753 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.011 10.437 -1.597 1.00 0.00 H new ATOM 1264 N ASN A 86 5.716 11.184 1.123 1.00 0.00 N ATOM 1265 CA ASN A 86 4.696 10.682 2.027 1.00 0.00 C ATOM 1266 C ASN A 86 3.412 10.410 1.240 1.00 0.00 C ATOM 1267 O ASN A 86 3.099 11.126 0.290 1.00 0.00 O ATOM 1268 CB ASN A 86 4.374 11.705 3.118 1.00 0.00 C ATOM 1269 CG ASN A 86 4.542 11.093 4.510 1.00 0.00 C ATOM 1270 OD1 ASN A 86 5.471 11.394 5.241 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.593 10.220 4.835 1.00 0.00 N ATOM 0 H ASN A 86 5.621 12.170 0.879 1.00 0.00 H new ATOM 0 HA ASN A 86 5.075 9.770 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.030 12.570 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.352 12.063 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.615 9.757 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.843 10.013 4.176 1.00 0.00 H new ATOM 1278 N TYR A 87 2.703 9.374 1.665 1.00 0.00 N ATOM 1279 CA TYR A 87 1.461 9.000 1.012 1.00 0.00 C ATOM 1280 C TYR A 87 0.831 7.781 1.689 1.00 0.00 C ATOM 1281 O TYR A 87 1.430 7.185 2.584 1.00 0.00 O ATOM 1282 CB TYR A 87 1.833 8.634 -0.426 1.00 0.00 C ATOM 1283 CG TYR A 87 3.202 7.963 -0.563 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.510 6.862 0.209 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.127 8.460 -1.458 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.798 6.231 0.080 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.415 7.829 -1.587 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.687 6.745 -0.811 1.00 0.00 C ATOM 1289 OH TYR A 87 6.904 6.149 -0.933 1.00 0.00 O ATOM 0 H TYR A 87 2.966 8.783 2.453 1.00 0.00 H new ATOM 0 HA TYR A 87 0.741 9.817 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.071 7.967 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.820 9.538 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.786 6.474 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.885 9.322 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.052 5.368 0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.148 8.208 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 87 7.503 6.482 -0.232 1.00 0.00 H new ATOM 1299 N SER A 88 -0.367 7.445 1.236 1.00 0.00 N ATOM 1300 CA SER A 88 -1.084 6.307 1.786 1.00 0.00 C ATOM 1301 C SER A 88 -1.171 5.189 0.745 1.00 0.00 C ATOM 1302 O SER A 88 -0.637 5.319 -0.355 1.00 0.00 O ATOM 1303 CB SER A 88 -2.486 6.711 2.249 1.00 0.00 C ATOM 1304 OG SER A 88 -3.498 6.230 1.369 1.00 0.00 O ATOM 0 H SER A 88 -0.860 7.941 0.494 1.00 0.00 H new ATOM 0 HA SER A 88 -0.534 5.944 2.654 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.663 6.322 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.548 7.797 2.313 1.00 0.00 H new ATOM 0 HG SER A 88 -3.746 6.938 0.738 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.847 4.117 1.130 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.010 2.977 0.244 1.00 0.00 C ATOM 1312 C PHE A 89 -3.445 2.448 0.289 1.00 0.00 C ATOM 1313 O PHE A 89 -3.939 2.075 1.352 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.061 1.885 0.739 1.00 0.00 C ATOM 1315 CG PHE A 89 0.381 2.358 0.937 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.076 2.876 -0.111 1.00 0.00 C ATOM 1317 CD2 PHE A 89 0.968 2.258 2.160 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.415 3.315 0.073 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.306 2.697 2.343 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.001 3.216 1.296 1.00 0.00 C ATOM 0 H PHE A 89 -2.288 4.014 2.044 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.791 3.271 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.437 1.492 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.068 1.061 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.611 2.954 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.417 1.845 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.967 3.727 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.772 2.619 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.019 3.550 1.436 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.074 2.432 -0.877 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.442 1.955 -0.983 1.00 0.00 C ATOM 1332 C ARG A 90 -5.512 0.748 -1.920 1.00 0.00 C ATOM 1333 O ARG A 90 -4.931 0.764 -3.004 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.370 3.053 -1.507 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.172 3.267 -3.009 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.935 4.502 -3.493 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.491 4.257 -4.842 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.389 5.052 -5.440 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.838 6.147 -4.811 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.839 4.751 -6.666 1.00 0.00 N ATOM 0 H ARG A 90 -3.661 2.742 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.770 1.664 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.407 2.783 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.175 3.984 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.110 3.383 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.515 2.387 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.739 4.739 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.269 5.365 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.171 3.432 -5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.496 6.375 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.521 6.752 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.498 3.917 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.522 5.356 -7.121 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.228 -0.271 -1.468 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.381 -1.485 -2.253 1.00 0.00 C ATOM 1356 C VAL A 91 -7.776 -1.508 -2.880 1.00 0.00 C ATOM 1357 O VAL A 91 -8.746 -1.070 -2.263 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.096 -2.710 -1.382 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.198 -3.999 -2.200 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.729 -2.596 -0.705 1.00 0.00 C ATOM 0 H VAL A 91 -6.709 -0.281 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.658 -1.508 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.854 -2.749 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.991 -4.855 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.203 -4.090 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.473 -3.972 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.552 -3.480 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.952 -2.520 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.708 -1.707 -0.075 1.00 0.00 H new ATOM 1370 N MET A 92 -7.833 -2.025 -4.099 1.00 0.00 N ATOM 1371 CA MET A 92 -9.093 -2.111 -4.817 1.00 0.00 C ATOM 1372 C MET A 92 -9.350 -3.539 -5.305 1.00 0.00 C ATOM 1373 O MET A 92 -8.411 -4.307 -5.508 1.00 0.00 O ATOM 1374 CB MET A 92 -9.065 -1.160 -6.015 1.00 0.00 C ATOM 1375 CG MET A 92 -9.201 0.296 -5.563 1.00 0.00 C ATOM 1376 SD MET A 92 -8.029 1.319 -6.438 1.00 0.00 S ATOM 1377 CE MET A 92 -6.512 0.786 -5.662 1.00 0.00 C ATOM 0 H MET A 92 -7.027 -2.388 -4.607 1.00 0.00 H new ATOM 0 HA MET A 92 -9.897 -1.829 -4.137 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.132 -1.288 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.875 -1.409 -6.700 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.215 0.650 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.030 0.370 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.977 1.653 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.742 0.105 -4.842 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.889 0.274 -6.395 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.626 -3.851 -5.478 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.017 -5.172 -5.938 1.00 0.00 C ATOM 1389 C ALA A 93 -11.868 -5.036 -7.202 1.00 0.00 C ATOM 1390 O ALA A 93 -12.877 -4.332 -7.204 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.755 -5.905 -4.816 1.00 0.00 C ATOM 0 H ALA A 93 -11.402 -3.211 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.139 -5.765 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.049 -6.896 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.099 -6.001 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.644 -5.340 -4.536 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.429 -5.720 -8.249 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.137 -5.685 -9.517 1.00 0.00 C ATOM 1399 C VAL A 94 -12.605 -7.097 -9.875 1.00 0.00 C ATOM 1400 O VAL A 94 -11.840 -8.054 -9.765 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.250 -5.058 -10.594 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.092 -4.513 -11.749 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.358 -3.965 -10.002 1.00 0.00 C ATOM 0 H VAL A 94 -10.591 -6.302 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.026 -5.058 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.603 -5.840 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.437 -4.073 -12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.664 -5.325 -12.197 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.776 -3.752 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.738 -3.536 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.981 -3.185 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.719 -4.395 -9.230 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.858 -7.182 -10.295 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.437 -8.461 -10.669 1.00 0.00 C ATOM 1415 C ASN A 95 -15.151 -8.318 -12.015 1.00 0.00 C ATOM 1416 O ASN A 95 -14.973 -7.321 -12.714 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.466 -8.924 -9.636 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.674 -7.986 -9.607 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.828 -7.104 -10.435 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.520 -8.225 -8.609 1.00 0.00 N ATOM 0 H ASN A 95 -14.489 -6.386 -10.385 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.630 -9.192 -10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.793 -9.937 -9.872 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.005 -8.960 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.358 -7.653 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.331 -8.980 -7.950 1.00 0.00 H new ATOM 1427 N SER A 96 -15.942 -9.330 -12.339 1.00 0.00 N ATOM 1428 CA SER A 96 -16.683 -9.330 -13.589 1.00 0.00 C ATOM 1429 C SER A 96 -17.528 -8.058 -13.697 1.00 0.00 C ATOM 1430 O SER A 96 -17.715 -7.525 -14.789 1.00 0.00 O ATOM 1431 CB SER A 96 -17.574 -10.569 -13.702 1.00 0.00 C ATOM 1432 OG SER A 96 -17.180 -11.413 -14.781 1.00 0.00 O ATOM 0 H SER A 96 -16.086 -10.156 -11.758 1.00 0.00 H new ATOM 0 HA SER A 96 -15.967 -9.354 -14.410 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.534 -11.131 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.609 -10.259 -13.843 1.00 0.00 H new ATOM 0 HG SER A 96 -17.772 -12.193 -14.819 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.014 -7.610 -12.549 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.834 -6.412 -12.501 1.00 0.00 C ATOM 1440 C ILE A 97 -17.976 -5.197 -12.862 1.00 0.00 C ATOM 1441 O ILE A 97 -18.065 -4.678 -13.973 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.529 -6.292 -11.143 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.267 -7.584 -10.789 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.455 -5.074 -11.106 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.510 -7.763 -11.662 1.00 0.00 C ATOM 0 H ILE A 97 -17.856 -8.055 -11.645 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.634 -6.469 -13.239 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.765 -6.138 -10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.600 -8.436 -10.921 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.556 -7.566 -9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.936 -5.012 -10.130 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.873 -4.169 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.216 -5.172 -11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.016 -8.689 -11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.186 -6.922 -11.509 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.215 -7.806 -12.710 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.164 -4.780 -11.901 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.291 -3.636 -12.104 1.00 0.00 C ATOM 1459 C GLY A 98 -15.291 -3.499 -10.954 1.00 0.00 C ATOM 1460 O GLY A 98 -15.024 -4.465 -10.240 1.00 0.00 O ATOM 0 H GLY A 98 -17.092 -5.214 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.754 -3.746 -13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.888 -2.727 -12.182 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.766 -2.291 -10.810 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.802 -2.015 -9.758 1.00 0.00 C ATOM 1466 C LYS A 99 -14.521 -1.378 -8.567 1.00 0.00 C ATOM 1467 O LYS A 99 -15.186 -0.354 -8.715 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.645 -1.174 -10.300 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.604 -0.906 -9.211 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.229 -0.631 -9.821 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.048 0.859 -10.119 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.646 1.586 -8.894 1.00 0.00 N ATOM 0 H LYS A 99 -14.990 -1.493 -11.404 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.352 -2.941 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.176 -1.691 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.027 -0.228 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.915 -0.053 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.544 -1.764 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.450 -0.965 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.114 -1.206 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.292 0.992 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.978 1.274 -10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.316 2.539 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.461 1.662 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.879 1.069 -8.419 1.00 0.00 H new ATOM 1486 N SER A 100 -14.362 -2.010 -7.414 1.00 0.00 N ATOM 1487 CA SER A 100 -14.987 -1.517 -6.198 1.00 0.00 C ATOM 1488 C SER A 100 -14.242 -0.281 -5.690 1.00 0.00 C ATOM 1489 O SER A 100 -13.215 0.102 -6.249 1.00 0.00 O ATOM 1490 CB SER A 100 -15.019 -2.599 -5.118 1.00 0.00 C ATOM 1491 OG SER A 100 -13.709 -2.973 -4.698 1.00 0.00 O ATOM 0 H SER A 100 -13.810 -2.859 -7.296 1.00 0.00 H new ATOM 0 HA SER A 100 -16.016 -1.243 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.586 -2.238 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.542 -3.476 -5.499 1.00 0.00 H new ATOM 0 HG SER A 100 -13.772 -3.677 -4.019 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.789 0.309 -4.637 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.189 1.493 -4.048 1.00 0.00 C ATOM 1499 C LEU A 101 -12.832 1.126 -3.443 1.00 0.00 C ATOM 1500 O LEU A 101 -12.577 -0.040 -3.144 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.151 2.142 -3.051 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.393 2.804 -3.651 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -16.070 4.207 -4.168 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -17.014 1.923 -4.736 1.00 0.00 C ATOM 0 H LEU A 101 -15.641 -0.011 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.004 2.246 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.476 1.381 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.602 2.893 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.136 2.914 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -16.970 4.656 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -15.708 4.824 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -15.302 4.143 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -17.895 2.417 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -16.287 1.759 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.303 0.964 -4.305 1.00 0.00 H new ATOM 1516 N PRO A 102 -11.976 2.169 -3.276 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.652 1.967 -2.712 1.00 0.00 C ATOM 1518 C PRO A 102 -10.728 1.742 -1.200 1.00 0.00 C ATOM 1519 O PRO A 102 -11.535 2.369 -0.516 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.870 3.214 -3.088 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.908 4.266 -3.443 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.244 3.562 -3.618 1.00 0.00 C ATOM 0 HA PRO A 102 -10.162 1.074 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.244 3.547 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.207 3.020 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.973 5.019 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.627 4.785 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.006 3.990 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.610 3.655 -4.640 1.00 0.00 H new ATOM 1530 N SER A 103 -9.877 0.846 -0.724 1.00 0.00 N ATOM 1531 CA SER A 103 -9.837 0.531 0.694 1.00 0.00 C ATOM 1532 C SER A 103 -9.839 1.821 1.517 1.00 0.00 C ATOM 1533 O SER A 103 -9.367 2.858 1.053 1.00 0.00 O ATOM 1534 CB SER A 103 -8.610 -0.316 1.036 1.00 0.00 C ATOM 1535 OG SER A 103 -7.413 0.458 1.042 1.00 0.00 O ATOM 0 H SER A 103 -9.209 0.328 -1.295 1.00 0.00 H new ATOM 0 HA SER A 103 -10.725 -0.050 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.749 -0.777 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.515 -1.126 0.312 1.00 0.00 H new ATOM 0 HG SER A 103 -7.262 0.821 1.940 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.375 1.714 2.724 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.444 2.859 3.616 1.00 0.00 C ATOM 1543 C GLU A 104 -9.214 3.750 3.432 1.00 0.00 C ATOM 1544 O GLU A 104 -9.290 4.794 2.786 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.585 2.412 5.072 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.817 1.524 5.257 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.185 1.398 6.736 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.912 2.369 7.474 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.733 0.333 7.096 1.00 0.00 O ATOM 0 H GLU A 104 -10.765 0.852 3.105 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.330 3.440 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.691 1.868 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.662 3.286 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.658 1.943 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.623 0.535 4.841 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.109 3.305 4.012 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.864 4.049 3.921 1.00 0.00 C ATOM 1558 C ALA A 105 -5.902 3.560 5.005 1.00 0.00 C ATOM 1559 O ALA A 105 -6.056 3.901 6.177 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.155 5.547 4.032 1.00 0.00 C ATOM 0 H ALA A 105 -8.050 2.438 4.547 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.386 3.880 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.221 6.105 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.819 5.850 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.633 5.755 4.989 1.00 0.00 H new ATOM 1566 N SER A 106 -4.929 2.769 4.576 1.00 0.00 N ATOM 1567 CA SER A 106 -3.942 2.230 5.495 1.00 0.00 C ATOM 1568 C SER A 106 -3.278 3.366 6.275 1.00 0.00 C ATOM 1569 O SER A 106 -3.675 4.524 6.152 1.00 0.00 O ATOM 1570 CB SER A 106 -2.886 1.410 4.751 1.00 0.00 C ATOM 1571 OG SER A 106 -2.684 0.132 5.350 1.00 0.00 O ATOM 0 H SER A 106 -4.804 2.489 3.603 1.00 0.00 H new ATOM 0 HA SER A 106 -4.452 1.567 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.193 1.280 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.944 1.958 4.739 1.00 0.00 H new ATOM 0 HG SER A 106 -2.004 -0.362 4.846 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.277 2.996 7.061 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.554 3.970 7.861 1.00 0.00 C ATOM 1579 C GLU A 107 -0.613 4.790 6.977 1.00 0.00 C ATOM 1580 O GLU A 107 -0.321 4.401 5.847 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.786 3.287 8.994 1.00 0.00 C ATOM 1582 CG GLU A 107 -1.649 2.226 9.680 1.00 0.00 C ATOM 1583 CD GLU A 107 -2.035 2.664 11.095 1.00 0.00 C ATOM 1584 OE1 GLU A 107 -2.964 3.495 11.198 1.00 0.00 O ATOM 1585 OE2 GLU A 107 -1.392 2.159 12.041 1.00 0.00 O ATOM 0 H GLU A 107 -1.950 2.035 7.161 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.278 4.648 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.118 2.825 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.470 4.032 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.549 2.049 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.105 1.282 9.723 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.163 5.909 7.524 1.00 0.00 N ATOM 1593 CA GLN A 108 0.740 6.787 6.799 1.00 0.00 C ATOM 1594 C GLN A 108 2.186 6.317 6.968 1.00 0.00 C ATOM 1595 O GLN A 108 2.835 6.639 7.962 1.00 0.00 O ATOM 1596 CB GLN A 108 0.578 8.238 7.256 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.282 9.030 6.269 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.018 10.532 6.394 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -0.127 11.122 7.456 1.00 0.00 O ATOM 1600 NE2 GLN A 108 0.337 11.116 5.252 1.00 0.00 N ATOM 0 H GLN A 108 -0.407 6.228 8.462 1.00 0.00 H new ATOM 0 HA GLN A 108 0.486 6.744 5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.120 8.263 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.558 8.706 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.068 8.703 5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.336 8.826 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.410 10.564 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.537 12.116 5.231 1.00 0.00 H new ATOM 1609 N TYR A 109 2.649 5.564 5.981 1.00 0.00 N ATOM 1610 CA TYR A 109 4.007 5.047 6.007 1.00 0.00 C ATOM 1611 C TYR A 109 4.988 6.052 5.400 1.00 0.00 C ATOM 1612 O TYR A 109 4.990 6.270 4.190 1.00 0.00 O ATOM 1613 CB TYR A 109 3.993 3.783 5.146 1.00 0.00 C ATOM 1614 CG TYR A 109 5.147 2.820 5.437 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.300 3.285 6.035 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.033 1.486 5.101 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.385 2.379 6.309 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.119 0.580 5.375 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.241 1.071 5.965 1.00 0.00 C ATOM 1620 OH TYR A 109 8.266 0.216 6.223 1.00 0.00 O ATOM 0 H TYR A 109 2.108 5.299 5.158 1.00 0.00 H new ATOM 0 HA TYR A 109 4.324 4.852 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.049 3.260 5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.029 4.071 4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.389 4.329 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.130 1.122 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.293 2.730 6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.043 -0.466 5.117 1.00 0.00 H new ATOM 0 HH TYR A 109 8.023 -0.685 5.925 1.00 0.00 H new ATOM 1630 N LEU A 110 5.799 6.639 6.269 1.00 0.00 N ATOM 1631 CA LEU A 110 6.782 7.615 5.834 1.00 0.00 C ATOM 1632 C LEU A 110 8.180 7.000 5.927 1.00 0.00 C ATOM 1633 O LEU A 110 8.713 6.822 7.021 1.00 0.00 O ATOM 1634 CB LEU A 110 6.630 8.917 6.623 1.00 0.00 C ATOM 1635 CG LEU A 110 7.835 9.859 6.603 1.00 0.00 C ATOM 1636 CD1 LEU A 110 8.288 10.140 5.168 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.538 11.148 7.372 1.00 0.00 C ATOM 0 H LEU A 110 5.795 6.457 7.273 1.00 0.00 H new ATOM 0 HA LEU A 110 6.618 7.881 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.766 9.456 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.408 8.666 7.660 1.00 0.00 H new ATOM 0 HG LEU A 110 8.662 9.364 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.146 10.812 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.568 9.204 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.473 10.604 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.412 11.799 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.690 11.657 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.301 10.907 8.408 1.00 0.00 H new