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= -3.82! C(o=-6.9!,f=-3.7!) USER MOD Set 1.2: A 108 GLN : amide:sc= -3.06! K(o=-6.9!,f=-2.5) USER MOD Set 2.1: A 18 ASN : amide:sc= -5.17! K(o=-12!,f=-1.9) USER MOD Set 2.2: A 43 ASN : amide:sc= -6.95! C(o=-12!,f=-1.9!) USER MOD Set 3.1: A 34 GLN : amide:sc= -1.94 K(o=-2.2,f=-5!) USER MOD Set 3.2: A 78 GLN : amide:sc= -0.217 X(o=-2.2,f=-2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 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= -0.237 X(o=-0.24,f=0) USER MOD Single : A 45 SER OG : rot 65:sc= -1.31 USER MOD Single : A 48 THR OG1 : rot 17:sc= -1.52 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 -116:sc= -1.95 (180deg=-4.29!) USER MOD Single : A 59 HIS : no HD1:sc=-0.00919 X(o=-0.0092,f=-0.017) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -2.55! X(o=-2.6!,f=-2.9) USER MOD Single : A 66 HIS : no HD1:sc= -0.584 K(o=-0.58,f=0.048) USER MOD Single : A 67 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.017) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 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= -11.6! C(o=-12!,f=-8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 37:sc= 0.363 USER MOD Single : A 80 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.2!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -90:sc= -1.9 USER MOD Single : A 88 SER OG : rot 180:sc= -0.379 USER MOD Single : A 92 MET CE :methyl -134:sc= -14.1! (180deg=-18.2!) USER MOD Single : A 95 ASN : amide:sc= -13! C(o=-13!,f=-26!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= 0.043 (180deg=-0.441) USER MOD Single : A 100 SER OG : rot -173:sc= 1.08 USER MOD Single : A 103 SER OG : rot -32:sc= -1.44! USER MOD Single : A 106 SER OG : rot -70:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.835 -9.741 -7.476 1.00 0.00 N ATOM 133 CA VAL A 13 -27.639 -8.309 -7.324 1.00 0.00 C ATOM 134 C VAL A 13 -26.173 -8.033 -6.982 1.00 0.00 C ATOM 135 O VAL A 13 -25.818 -7.904 -5.811 1.00 0.00 O ATOM 136 CB VAL A 13 -28.610 -7.756 -6.279 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.844 -6.258 -6.487 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.933 -8.525 -6.299 1.00 0.00 C ATOM 0 HA VAL A 13 -27.858 -7.792 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 13 -28.158 -7.892 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.538 -5.890 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.897 -5.726 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -29.265 -6.090 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.605 -8.112 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.391 -8.435 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.746 -9.576 -6.080 1.00 0.00 H new ATOM 148 N TYR A 14 -25.361 -7.950 -8.025 1.00 0.00 N ATOM 149 CA TYR A 14 -23.942 -7.691 -7.851 1.00 0.00 C ATOM 150 C TYR A 14 -23.696 -6.237 -7.444 1.00 0.00 C ATOM 151 O TYR A 14 -24.638 -5.500 -7.158 1.00 0.00 O ATOM 152 CB TYR A 14 -23.296 -7.943 -9.215 1.00 0.00 C ATOM 153 CG TYR A 14 -23.225 -9.420 -9.606 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.345 -10.059 -10.097 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.040 -10.114 -9.468 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.278 -11.449 -10.466 1.00 0.00 C ATOM 157 CE2 TYR A 14 -21.972 -11.505 -9.836 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.095 -12.104 -10.317 1.00 0.00 C ATOM 159 OH TYR A 14 -23.031 -13.417 -10.665 1.00 0.00 O ATOM 0 H TYR A 14 -25.659 -8.058 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.529 -8.328 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.858 -7.403 -9.977 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.287 -7.530 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.272 -9.516 -10.205 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.163 -9.614 -9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.147 -11.960 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.051 -12.060 -9.733 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.124 -13.754 -10.506 1.00 0.00 H new ATOM 169 N ASP A 15 -22.423 -5.867 -7.430 1.00 0.00 N ATOM 170 CA ASP A 15 -22.041 -4.514 -7.063 1.00 0.00 C ATOM 171 C ASP A 15 -20.542 -4.476 -6.762 1.00 0.00 C ATOM 172 O ASP A 15 -20.128 -3.989 -5.711 1.00 0.00 O ATOM 173 CB ASP A 15 -22.787 -4.052 -5.810 1.00 0.00 C ATOM 174 CG ASP A 15 -24.054 -3.237 -6.075 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.265 -2.884 -7.255 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.783 -2.984 -5.091 1.00 0.00 O ATOM 0 H ASP A 15 -21.644 -6.481 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.291 -3.855 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.054 -4.929 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.109 -3.454 -5.202 1.00 0.00 H new ATOM 181 N VAL A 16 -19.768 -4.997 -7.703 1.00 0.00 N ATOM 182 CA VAL A 16 -18.323 -5.029 -7.551 1.00 0.00 C ATOM 183 C VAL A 16 -17.972 -5.613 -6.182 1.00 0.00 C ATOM 184 O VAL A 16 -18.820 -5.676 -5.293 1.00 0.00 O ATOM 185 CB VAL A 16 -17.743 -3.631 -7.772 1.00 0.00 C ATOM 186 CG1 VAL A 16 -17.988 -3.156 -9.206 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.312 -2.635 -6.760 1.00 0.00 C ATOM 0 H VAL A 16 -20.114 -5.400 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.873 -5.675 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.666 -3.687 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.566 -2.160 -9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.513 -3.846 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.060 -3.124 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.883 -1.649 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.395 -2.585 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.063 -2.961 -5.750 1.00 0.00 H new ATOM 197 N PRO A 17 -16.686 -6.037 -6.050 1.00 0.00 N ATOM 198 CA PRO A 17 -16.211 -6.613 -4.804 1.00 0.00 C ATOM 199 C PRO A 17 -15.999 -5.530 -3.745 1.00 0.00 C ATOM 200 O PRO A 17 -15.275 -4.563 -3.977 1.00 0.00 O ATOM 201 CB PRO A 17 -14.930 -7.344 -5.171 1.00 0.00 C ATOM 202 CG PRO A 17 -14.488 -6.766 -6.506 1.00 0.00 C ATOM 203 CD PRO A 17 -15.654 -5.978 -7.081 1.00 0.00 C ATOM 0 HA PRO A 17 -16.931 -7.299 -4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.164 -7.197 -4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.101 -8.418 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.619 -6.121 -6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.192 -7.563 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.368 -4.948 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.004 -6.414 -8.017 1.00 0.00 H new ATOM 211 N ASN A 18 -16.643 -5.728 -2.604 1.00 0.00 N ATOM 212 CA ASN A 18 -16.534 -4.780 -1.508 1.00 0.00 C ATOM 213 C ASN A 18 -15.060 -4.444 -1.276 1.00 0.00 C ATOM 214 O ASN A 18 -14.175 -5.166 -1.733 1.00 0.00 O ATOM 215 CB ASN A 18 -17.095 -5.369 -0.212 1.00 0.00 C ATOM 216 CG ASN A 18 -18.603 -5.133 -0.110 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.154 -4.925 0.958 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.237 -5.176 -1.278 1.00 0.00 N ATOM 0 H ASN A 18 -17.242 -6.531 -2.415 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.103 -3.889 -1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.887 -6.438 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.594 -4.917 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.246 -5.030 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.715 -5.355 -2.136 1.00 0.00 H new ATOM 225 N PRO A 19 -14.835 -3.319 -0.546 1.00 0.00 N ATOM 226 CA PRO A 19 -13.483 -2.878 -0.247 1.00 0.00 C ATOM 227 C PRO A 19 -12.849 -3.750 0.839 1.00 0.00 C ATOM 228 O PRO A 19 -13.545 -4.258 1.717 1.00 0.00 O ATOM 229 CB PRO A 19 -13.626 -1.423 0.169 1.00 0.00 C ATOM 230 CG PRO A 19 -15.090 -1.236 0.535 1.00 0.00 C ATOM 231 CD PRO A 19 -15.858 -2.439 0.012 1.00 0.00 C ATOM 0 HA PRO A 19 -12.813 -2.970 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.979 -1.194 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.338 -0.755 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.205 -1.150 1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.478 -0.316 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.412 -2.933 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.584 -2.146 -0.746 1.00 0.00 H new ATOM 239 N PRO A 20 -11.502 -3.902 0.740 1.00 0.00 N ATOM 240 CA PRO A 20 -10.766 -4.705 1.703 1.00 0.00 C ATOM 241 C PRO A 20 -10.620 -3.966 3.035 1.00 0.00 C ATOM 242 O PRO A 20 -11.032 -2.813 3.158 1.00 0.00 O ATOM 243 CB PRO A 20 -9.432 -4.995 1.036 1.00 0.00 C ATOM 244 CG PRO A 20 -9.287 -3.965 -0.072 1.00 0.00 C ATOM 245 CD PRO A 20 -10.645 -3.317 -0.287 1.00 0.00 C ATOM 0 HA PRO A 20 -11.279 -5.633 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.613 -4.917 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.409 -6.008 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.545 -3.214 0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.940 -4.439 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.587 -2.233 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.028 -3.523 -1.287 1.00 0.00 H new ATOM 253 N PHE A 21 -10.033 -4.659 3.999 1.00 0.00 N ATOM 254 CA PHE A 21 -9.828 -4.083 5.317 1.00 0.00 C ATOM 255 C PHE A 21 -8.604 -4.698 6.000 1.00 0.00 C ATOM 256 O PHE A 21 -7.966 -5.594 5.448 1.00 0.00 O ATOM 257 CB PHE A 21 -11.074 -4.404 6.144 1.00 0.00 C ATOM 258 CG PHE A 21 -11.501 -5.872 6.082 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.330 -6.298 5.091 1.00 0.00 C ATOM 260 CD2 PHE A 21 -11.052 -6.751 7.018 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.726 -7.660 5.034 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.448 -8.114 6.960 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.277 -8.539 5.969 1.00 0.00 C ATOM 0 H PHE A 21 -9.693 -5.615 3.894 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.662 -3.009 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.887 -4.134 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.898 -3.781 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.687 -5.600 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.395 -6.413 7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.384 -7.998 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.091 -8.812 7.702 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.579 -9.575 5.925 1.00 0.00 H new ATOM 273 N ASP A 22 -8.314 -4.194 7.190 1.00 0.00 N ATOM 274 CA ASP A 22 -7.179 -4.682 7.953 1.00 0.00 C ATOM 275 C ASP A 22 -5.889 -4.395 7.182 1.00 0.00 C ATOM 276 O ASP A 22 -4.905 -5.121 7.317 1.00 0.00 O ATOM 277 CB ASP A 22 -7.272 -6.193 8.172 1.00 0.00 C ATOM 278 CG ASP A 22 -7.088 -6.649 9.621 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.032 -5.756 10.494 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.008 -7.880 9.823 1.00 0.00 O ATOM 0 H ASP A 22 -8.846 -3.452 7.645 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.180 -4.176 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.244 -6.537 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.518 -6.682 7.555 1.00 0.00 H new ATOM 285 N LEU A 23 -5.935 -3.334 6.389 1.00 0.00 N ATOM 286 CA LEU A 23 -4.783 -2.941 5.596 1.00 0.00 C ATOM 287 C LEU A 23 -3.625 -2.580 6.530 1.00 0.00 C ATOM 288 O LEU A 23 -3.805 -1.822 7.482 1.00 0.00 O ATOM 289 CB LEU A 23 -5.158 -1.823 4.622 1.00 0.00 C ATOM 290 CG LEU A 23 -5.116 -2.186 3.136 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.322 -3.041 2.745 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.997 -0.931 2.269 1.00 0.00 C ATOM 0 H LEU A 23 -6.753 -2.734 6.279 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.447 -3.772 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.164 -1.480 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.486 -0.982 4.789 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.225 -2.787 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.267 -3.284 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.320 -3.961 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.240 -2.488 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.969 -1.217 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.856 -0.283 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.081 -0.398 2.525 1.00 0.00 H new ATOM 304 N GLU A 24 -2.464 -3.141 6.225 1.00 0.00 N ATOM 305 CA GLU A 24 -1.278 -2.887 7.025 1.00 0.00 C ATOM 306 C GLU A 24 -0.019 -3.260 6.240 1.00 0.00 C ATOM 307 O GLU A 24 -0.039 -4.185 5.430 1.00 0.00 O ATOM 308 CB GLU A 24 -1.340 -3.644 8.353 1.00 0.00 C ATOM 309 CG GLU A 24 -1.436 -2.675 9.533 1.00 0.00 C ATOM 310 CD GLU A 24 -2.465 -3.157 10.557 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.180 -4.187 11.206 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.513 -2.485 10.668 1.00 0.00 O ATOM 0 H GLU A 24 -2.319 -3.770 5.435 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.239 -1.822 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.202 -4.312 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.453 -4.268 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.461 -2.580 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.713 -1.684 9.173 1.00 0.00 H new ATOM 319 N LEU A 25 1.047 -2.521 6.508 1.00 0.00 N ATOM 320 CA LEU A 25 2.313 -2.762 5.837 1.00 0.00 C ATOM 321 C LEU A 25 3.211 -3.610 6.740 1.00 0.00 C ATOM 322 O LEU A 25 3.427 -3.270 7.902 1.00 0.00 O ATOM 323 CB LEU A 25 2.950 -1.440 5.404 1.00 0.00 C ATOM 324 CG LEU A 25 2.243 -0.694 4.270 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.913 -1.640 3.114 1.00 0.00 C ATOM 326 CD2 LEU A 25 1.001 0.036 4.786 1.00 0.00 C ATOM 0 H LEU A 25 1.060 -1.755 7.181 1.00 0.00 H new ATOM 0 HA LEU A 25 2.156 -3.329 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.998 -0.781 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.977 -1.638 5.097 1.00 0.00 H new ATOM 0 HG LEU A 25 2.924 0.063 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.411 -1.085 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.834 -2.075 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.258 -2.435 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.517 0.558 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.307 -0.686 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.294 0.757 5.550 1.00 0.00 H new ATOM 445 N VAL A 33 8.665 -3.043 0.658 1.00 0.00 N ATOM 446 CA VAL A 33 7.714 -3.415 1.692 1.00 0.00 C ATOM 447 C VAL A 33 6.551 -4.180 1.058 1.00 0.00 C ATOM 448 O VAL A 33 6.429 -4.230 -0.165 1.00 0.00 O ATOM 449 CB VAL A 33 7.264 -2.171 2.461 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.392 -1.270 1.583 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.533 -2.556 3.748 1.00 0.00 C ATOM 0 HA VAL A 33 8.181 -4.079 2.420 1.00 0.00 H new ATOM 0 HB VAL A 33 8.155 -1.608 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.085 -0.393 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.961 -0.954 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.508 -1.821 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.224 -1.653 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.654 -3.152 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.199 -3.138 4.385 1.00 0.00 H new ATOM 461 N GLN A 34 5.725 -4.757 1.919 1.00 0.00 N ATOM 462 CA GLN A 34 4.575 -5.517 1.459 1.00 0.00 C ATOM 463 C GLN A 34 3.289 -4.955 2.069 1.00 0.00 C ATOM 464 O GLN A 34 3.245 -4.648 3.259 1.00 0.00 O ATOM 465 CB GLN A 34 4.734 -7.003 1.786 1.00 0.00 C ATOM 466 CG GLN A 34 3.530 -7.805 1.288 1.00 0.00 C ATOM 467 CD GLN A 34 3.936 -8.768 0.171 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.071 -8.399 -0.984 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.124 -10.021 0.578 1.00 0.00 N ATOM 0 H GLN A 34 5.829 -4.713 2.933 1.00 0.00 H new ATOM 0 HA GLN A 34 4.511 -5.422 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.645 -7.385 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.842 -7.133 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.094 -8.365 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.761 -7.124 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.994 -10.263 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.398 -10.739 -0.092 1.00 0.00 H new ATOM 478 N LEU A 35 2.274 -4.838 1.225 1.00 0.00 N ATOM 479 CA LEU A 35 0.991 -4.319 1.666 1.00 0.00 C ATOM 480 C LEU A 35 -0.005 -5.474 1.794 1.00 0.00 C ATOM 481 O LEU A 35 -0.385 -6.084 0.796 1.00 0.00 O ATOM 482 CB LEU A 35 0.517 -3.200 0.737 1.00 0.00 C ATOM 483 CG LEU A 35 -0.906 -2.690 0.971 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.910 -1.500 1.933 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.595 -2.359 -0.354 1.00 0.00 C ATOM 0 H LEU A 35 2.315 -5.094 0.238 1.00 0.00 H new ATOM 0 HA LEU A 35 1.083 -3.865 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.203 -2.359 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.590 -3.554 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.482 -3.487 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.934 -1.156 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.486 -1.804 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.313 -0.690 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.605 -1.999 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.029 -1.587 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.643 -3.255 -0.973 1.00 0.00 H new ATOM 497 N SER A 36 -0.398 -5.740 3.031 1.00 0.00 N ATOM 498 CA SER A 36 -1.342 -6.810 3.303 1.00 0.00 C ATOM 499 C SER A 36 -2.760 -6.245 3.404 1.00 0.00 C ATOM 500 O SER A 36 -3.013 -5.329 4.185 1.00 0.00 O ATOM 501 CB SER A 36 -0.974 -7.555 4.588 1.00 0.00 C ATOM 502 OG SER A 36 0.378 -8.005 4.577 1.00 0.00 O ATOM 0 H SER A 36 -0.079 -5.232 3.856 1.00 0.00 H new ATOM 0 HA SER A 36 -1.300 -7.521 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.131 -6.899 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.639 -8.409 4.715 1.00 0.00 H new ATOM 0 HG SER A 36 0.574 -8.474 5.415 1.00 0.00 H new ATOM 508 N TRP A 37 -3.648 -6.815 2.603 1.00 0.00 N ATOM 509 CA TRP A 37 -5.034 -6.379 2.592 1.00 0.00 C ATOM 510 C TRP A 37 -5.921 -7.624 2.641 1.00 0.00 C ATOM 511 O TRP A 37 -5.462 -8.730 2.359 1.00 0.00 O ATOM 512 CB TRP A 37 -5.319 -5.488 1.381 1.00 0.00 C ATOM 513 CG TRP A 37 -5.186 -6.205 0.036 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.111 -6.930 -0.608 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.016 -6.236 -0.809 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.625 -7.425 -1.801 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.311 -6.989 -1.928 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.752 -5.648 -0.635 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.393 -7.223 -2.958 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.845 -5.891 -1.673 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.126 -6.646 -2.806 1.00 0.00 C ATOM 0 H TRP A 37 -3.435 -7.575 1.957 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.252 -5.762 3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.328 -5.086 1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.635 -4.640 1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.111 -7.105 -0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.136 -8.004 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.500 -5.055 0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.648 -7.817 -3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.858 -5.462 -1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.371 -6.787 -3.565 1.00 0.00 H new ATOM 532 N THR A 38 -7.177 -7.403 3.000 1.00 0.00 N ATOM 533 CA THR A 38 -8.133 -8.494 3.089 1.00 0.00 C ATOM 534 C THR A 38 -9.415 -8.143 2.329 1.00 0.00 C ATOM 535 O THR A 38 -10.143 -7.233 2.720 1.00 0.00 O ATOM 536 CB THR A 38 -8.369 -8.796 4.570 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.083 -9.169 5.057 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.225 -10.046 4.784 1.00 0.00 C ATOM 0 H THR A 38 -7.555 -6.485 3.233 1.00 0.00 H new ATOM 0 HA THR A 38 -7.748 -9.397 2.615 1.00 0.00 H new ATOM 0 HB THR A 38 -8.852 -7.940 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.144 -9.380 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.362 -10.215 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.197 -9.907 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.727 -10.908 4.341 1.00 0.00 H new ATOM 546 N PRO A 39 -9.656 -8.905 1.228 1.00 0.00 N ATOM 547 CA PRO A 39 -10.837 -8.684 0.410 1.00 0.00 C ATOM 548 C PRO A 39 -12.091 -9.223 1.101 1.00 0.00 C ATOM 549 O PRO A 39 -12.176 -10.413 1.402 1.00 0.00 O ATOM 550 CB PRO A 39 -10.538 -9.381 -0.907 1.00 0.00 C ATOM 551 CG PRO A 39 -9.408 -10.354 -0.617 1.00 0.00 C ATOM 552 CD PRO A 39 -8.815 -9.991 0.735 1.00 0.00 C ATOM 0 HA PRO A 39 -11.045 -7.626 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.418 -9.905 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.247 -8.661 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.780 -11.379 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.647 -10.298 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.829 -10.843 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.776 -9.676 0.640 1.00 0.00 H new ATOM 560 N GLY A 40 -13.034 -8.321 1.333 1.00 0.00 N ATOM 561 CA GLY A 40 -14.280 -8.691 1.982 1.00 0.00 C ATOM 562 C GLY A 40 -15.197 -9.447 1.019 1.00 0.00 C ATOM 563 O GLY A 40 -14.738 -10.293 0.253 1.00 0.00 O ATOM 0 H GLY A 40 -12.960 -7.335 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.070 -9.312 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.786 -7.796 2.344 1.00 0.00 H new ATOM 567 N ASP A 41 -16.478 -9.114 1.088 1.00 0.00 N ATOM 568 CA ASP A 41 -17.464 -9.750 0.232 1.00 0.00 C ATOM 569 C ASP A 41 -17.088 -9.516 -1.233 1.00 0.00 C ATOM 570 O ASP A 41 -16.385 -8.558 -1.552 1.00 0.00 O ATOM 571 CB ASP A 41 -18.856 -9.160 0.462 1.00 0.00 C ATOM 572 CG ASP A 41 -19.299 -9.099 1.925 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.690 -9.833 2.733 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.236 -8.320 2.203 1.00 0.00 O ATOM 0 H ASP A 41 -16.855 -8.412 1.724 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.480 -10.814 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.880 -8.152 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.581 -9.751 -0.097 1.00 0.00 H new ATOM 579 N ASP A 42 -17.573 -10.408 -2.085 1.00 0.00 N ATOM 580 CA ASP A 42 -17.296 -10.310 -3.508 1.00 0.00 C ATOM 581 C ASP A 42 -18.555 -9.835 -4.236 1.00 0.00 C ATOM 582 O ASP A 42 -18.486 -9.406 -5.387 1.00 0.00 O ATOM 583 CB ASP A 42 -16.901 -11.670 -4.087 1.00 0.00 C ATOM 584 CG ASP A 42 -16.124 -12.579 -3.131 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.135 -12.080 -2.553 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.538 -13.751 -3.000 1.00 0.00 O ATOM 0 H ASP A 42 -18.156 -11.201 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.474 -9.607 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.805 -12.190 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.298 -11.507 -4.980 1.00 0.00 H new ATOM 591 N ASN A 43 -19.675 -9.925 -3.535 1.00 0.00 N ATOM 592 CA ASN A 43 -20.948 -9.510 -4.101 1.00 0.00 C ATOM 593 C ASN A 43 -21.249 -10.353 -5.342 1.00 0.00 C ATOM 594 O ASN A 43 -21.264 -9.837 -6.458 1.00 0.00 O ATOM 595 CB ASN A 43 -20.908 -8.040 -4.526 1.00 0.00 C ATOM 596 CG ASN A 43 -20.908 -7.117 -3.306 1.00 0.00 C ATOM 597 OD1 ASN A 43 -21.632 -6.137 -3.237 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.059 -7.483 -2.350 1.00 0.00 N ATOM 0 H ASN A 43 -19.728 -10.279 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.716 -9.645 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.017 -7.855 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.769 -7.816 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.985 -6.932 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.482 -8.315 -2.472 1.00 0.00 H new ATOM 605 N ASN A 44 -21.481 -11.635 -5.104 1.00 0.00 N ATOM 606 CA ASN A 44 -21.781 -12.555 -6.189 1.00 0.00 C ATOM 607 C ASN A 44 -20.539 -12.726 -7.065 1.00 0.00 C ATOM 608 O ASN A 44 -20.018 -13.832 -7.201 1.00 0.00 O ATOM 609 CB ASN A 44 -22.911 -12.017 -7.070 1.00 0.00 C ATOM 610 CG ASN A 44 -24.252 -12.072 -6.336 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.780 -13.129 -6.032 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.772 -10.877 -6.069 1.00 0.00 N ATOM 0 H ASN A 44 -21.467 -12.059 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 44 -22.086 -13.505 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.693 -10.989 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.971 -12.601 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.665 -10.807 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.277 -10.031 -6.352 1.00 0.00 H new ATOM 619 N SER A 45 -20.100 -11.614 -7.638 1.00 0.00 N ATOM 620 CA SER A 45 -18.928 -11.627 -8.497 1.00 0.00 C ATOM 621 C SER A 45 -17.663 -11.793 -7.654 1.00 0.00 C ATOM 622 O SER A 45 -17.348 -10.941 -6.825 1.00 0.00 O ATOM 623 CB SER A 45 -18.845 -10.349 -9.334 1.00 0.00 C ATOM 624 OG SER A 45 -19.611 -10.444 -10.532 1.00 0.00 O ATOM 0 H SER A 45 -20.535 -10.699 -7.524 1.00 0.00 H new ATOM 0 HA SER A 45 -19.014 -12.472 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.200 -9.505 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.804 -10.147 -9.585 1.00 0.00 H new ATOM 0 HG SER A 45 -20.562 -10.520 -10.307 1.00 0.00 H new ATOM 630 N PRO A 46 -16.952 -12.926 -7.901 1.00 0.00 N ATOM 631 CA PRO A 46 -15.727 -13.214 -7.174 1.00 0.00 C ATOM 632 C PRO A 46 -14.574 -12.341 -7.673 1.00 0.00 C ATOM 633 O PRO A 46 -14.429 -12.125 -8.875 1.00 0.00 O ATOM 634 CB PRO A 46 -15.483 -14.699 -7.389 1.00 0.00 C ATOM 635 CG PRO A 46 -16.314 -15.088 -8.600 1.00 0.00 C ATOM 636 CD PRO A 46 -17.293 -13.958 -8.875 1.00 0.00 C ATOM 0 HA PRO A 46 -15.805 -12.986 -6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.425 -14.900 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.779 -15.274 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.673 -15.257 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.849 -16.019 -8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.194 -13.588 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.324 -14.290 -8.755 1.00 0.00 H new ATOM 644 N ILE A 47 -13.784 -11.861 -6.724 1.00 0.00 N ATOM 645 CA ILE A 47 -12.649 -11.016 -7.052 1.00 0.00 C ATOM 646 C ILE A 47 -11.782 -11.717 -8.100 1.00 0.00 C ATOM 647 O ILE A 47 -11.617 -12.936 -8.059 1.00 0.00 O ATOM 648 CB ILE A 47 -11.887 -10.626 -5.784 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.884 -9.108 -5.590 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.470 -11.204 -5.796 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.280 -8.401 -6.805 1.00 0.00 C ATOM 0 H ILE A 47 -13.908 -12.041 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.987 -10.079 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.405 -11.059 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.903 -8.756 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.315 -8.853 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.950 -10.912 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.521 -12.291 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.928 -10.821 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.290 -7.323 -6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.253 -8.737 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.866 -8.638 -7.693 1.00 0.00 H new ATOM 663 N THR A 48 -11.250 -10.918 -9.013 1.00 0.00 N ATOM 664 CA THR A 48 -10.404 -11.447 -10.069 1.00 0.00 C ATOM 665 C THR A 48 -9.035 -10.763 -10.049 1.00 0.00 C ATOM 666 O THR A 48 -8.022 -11.384 -10.369 1.00 0.00 O ATOM 667 CB THR A 48 -11.146 -11.283 -11.396 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.591 -9.929 -11.380 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.439 -12.099 -11.449 1.00 0.00 C ATOM 0 H THR A 48 -11.389 -9.908 -9.043 1.00 0.00 H new ATOM 0 HA THR A 48 -10.204 -12.508 -9.921 1.00 0.00 H new ATOM 0 HB THR A 48 -10.493 -11.583 -12.216 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.092 -9.429 -10.701 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.926 -11.947 -12.412 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.207 -13.157 -11.323 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.106 -11.776 -10.650 1.00 0.00 H new ATOM 677 N LYS A 49 -9.049 -9.494 -9.670 1.00 0.00 N ATOM 678 CA LYS A 49 -7.822 -8.719 -9.604 1.00 0.00 C ATOM 679 C LYS A 49 -7.908 -7.733 -8.437 1.00 0.00 C ATOM 680 O LYS A 49 -8.997 -7.447 -7.940 1.00 0.00 O ATOM 681 CB LYS A 49 -7.536 -8.053 -10.952 1.00 0.00 C ATOM 682 CG LYS A 49 -6.918 -6.667 -10.758 1.00 0.00 C ATOM 683 CD LYS A 49 -6.703 -5.969 -12.103 1.00 0.00 C ATOM 684 CE LYS A 49 -8.029 -5.785 -12.843 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.064 -6.628 -14.060 1.00 0.00 N ATOM 0 H LYS A 49 -9.891 -8.983 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.970 -9.370 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.860 -8.678 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.461 -7.966 -11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.569 -6.060 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.966 -6.759 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.234 -4.998 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.019 -6.556 -12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.858 -6.049 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.158 -4.737 -13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.971 -6.492 -14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.284 -6.357 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.962 -7.628 -13.793 1.00 0.00 H new ATOM 699 N PHE A 50 -6.746 -7.241 -8.033 1.00 0.00 N ATOM 700 CA PHE A 50 -6.677 -6.293 -6.934 1.00 0.00 C ATOM 701 C PHE A 50 -5.693 -5.164 -7.245 1.00 0.00 C ATOM 702 O PHE A 50 -4.480 -5.353 -7.167 1.00 0.00 O ATOM 703 CB PHE A 50 -6.179 -7.064 -5.710 1.00 0.00 C ATOM 704 CG PHE A 50 -7.266 -7.872 -4.999 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.326 -7.236 -4.432 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.174 -9.228 -4.934 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.335 -7.986 -3.772 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.183 -9.978 -4.275 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.242 -9.341 -3.707 1.00 0.00 C ATOM 0 H PHE A 50 -5.845 -7.481 -8.447 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.657 -5.848 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.382 -7.740 -6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.743 -6.359 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.400 -6.160 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.333 -9.734 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.176 -7.480 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.110 -11.054 -4.225 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.009 -9.911 -3.204 1.00 0.00 H new ATOM 719 N ILE A 51 -6.253 -4.013 -7.591 1.00 0.00 N ATOM 720 CA ILE A 51 -5.440 -2.853 -7.914 1.00 0.00 C ATOM 721 C ILE A 51 -5.166 -2.056 -6.637 1.00 0.00 C ATOM 722 O ILE A 51 -5.911 -2.161 -5.664 1.00 0.00 O ATOM 723 CB ILE A 51 -6.098 -2.030 -9.023 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.295 -2.871 -10.286 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.303 -0.753 -9.304 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.771 -2.918 -10.689 1.00 0.00 C ATOM 0 H ILE A 51 -7.259 -3.860 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.473 -3.164 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.087 -1.725 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.705 -2.453 -11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.929 -3.883 -10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.792 -0.187 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.257 -0.146 -8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.292 -1.015 -9.617 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.883 -3.522 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.355 -3.359 -9.881 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.127 -1.906 -10.884 1.00 0.00 H new ATOM 738 N ILE A 52 -4.095 -1.277 -6.682 1.00 0.00 N ATOM 739 CA ILE A 52 -3.714 -0.462 -5.541 1.00 0.00 C ATOM 740 C ILE A 52 -3.486 0.979 -6.002 1.00 0.00 C ATOM 741 O ILE A 52 -3.274 1.229 -7.188 1.00 0.00 O ATOM 742 CB ILE A 52 -2.510 -1.076 -4.823 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.879 -2.415 -4.181 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.920 -0.096 -3.807 1.00 0.00 C ATOM 745 CD1 ILE A 52 -1.989 -3.541 -4.711 1.00 0.00 C ATOM 0 H ILE A 52 -3.479 -1.193 -7.491 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.517 -0.438 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.736 -1.277 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.776 -2.344 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.924 -2.645 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.066 -0.557 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.596 0.809 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.677 0.158 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.272 -4.482 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.113 -3.625 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.947 -3.319 -4.482 1.00 0.00 H new ATOM 757 N GLU A 53 -3.536 1.889 -5.040 1.00 0.00 N ATOM 758 CA GLU A 53 -3.337 3.298 -5.333 1.00 0.00 C ATOM 759 C GLU A 53 -2.774 4.020 -4.107 1.00 0.00 C ATOM 760 O GLU A 53 -2.930 3.552 -2.980 1.00 0.00 O ATOM 761 CB GLU A 53 -4.640 3.950 -5.802 1.00 0.00 C ATOM 762 CG GLU A 53 -4.751 3.916 -7.328 1.00 0.00 C ATOM 763 CD GLU A 53 -6.039 4.593 -7.799 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.532 5.461 -7.047 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.503 4.227 -8.901 1.00 0.00 O ATOM 0 H GLU A 53 -3.711 1.678 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.614 3.382 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.490 3.431 -5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.681 4.982 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.890 4.417 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.731 2.883 -7.675 1.00 0.00 H new ATOM 772 N TYR A 54 -2.131 5.149 -4.369 1.00 0.00 N ATOM 773 CA TYR A 54 -1.544 5.940 -3.301 1.00 0.00 C ATOM 774 C TYR A 54 -1.620 7.435 -3.620 1.00 0.00 C ATOM 775 O TYR A 54 -1.821 7.817 -4.772 1.00 0.00 O ATOM 776 CB TYR A 54 -0.074 5.522 -3.225 1.00 0.00 C ATOM 777 CG TYR A 54 0.825 6.216 -4.250 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.343 7.466 -3.978 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.117 5.593 -5.446 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.189 8.120 -4.943 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.963 6.247 -6.410 1.00 0.00 C ATOM 782 CZ TYR A 54 2.457 7.478 -6.111 1.00 0.00 C ATOM 783 OH TYR A 54 3.256 8.095 -7.022 1.00 0.00 O ATOM 0 H TYR A 54 -2.004 5.534 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.075 5.773 -2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.302 5.735 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.006 4.444 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.114 7.954 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.711 4.615 -5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.601 9.098 -4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.200 5.770 -7.350 1.00 0.00 H new ATOM 0 HH TYR A 54 3.362 7.519 -7.808 1.00 0.00 H new ATOM 793 N GLU A 55 -1.455 8.239 -2.580 1.00 0.00 N ATOM 794 CA GLU A 55 -1.503 9.683 -2.736 1.00 0.00 C ATOM 795 C GLU A 55 -0.388 10.341 -1.920 1.00 0.00 C ATOM 796 O GLU A 55 -0.021 9.850 -0.854 1.00 0.00 O ATOM 797 CB GLU A 55 -2.873 10.232 -2.336 1.00 0.00 C ATOM 798 CG GLU A 55 -3.174 9.938 -0.865 1.00 0.00 C ATOM 799 CD GLU A 55 -3.015 11.197 -0.010 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.120 12.002 -0.346 1.00 0.00 O ATOM 801 OE2 GLU A 55 -3.793 11.326 0.960 1.00 0.00 O ATOM 0 H GLU A 55 -1.288 7.918 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.346 9.922 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.902 11.308 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.644 9.787 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.189 9.554 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.503 9.160 -0.501 1.00 0.00 H new ATOM 808 N ASP A 56 0.119 11.444 -2.452 1.00 0.00 N ATOM 809 CA ASP A 56 1.184 12.175 -1.787 1.00 0.00 C ATOM 810 C ASP A 56 0.576 13.299 -0.946 1.00 0.00 C ATOM 811 O ASP A 56 0.296 14.381 -1.460 1.00 0.00 O ATOM 812 CB ASP A 56 2.137 12.806 -2.803 1.00 0.00 C ATOM 813 CG ASP A 56 1.818 12.497 -4.268 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.640 12.677 -4.642 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.761 12.087 -4.979 1.00 0.00 O ATOM 0 H ASP A 56 -0.188 11.849 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 56 1.737 11.473 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.127 13.887 -2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.150 12.466 -2.588 1.00 0.00 H new ATOM 820 N ALA A 57 0.392 13.005 0.332 1.00 0.00 N ATOM 821 CA ALA A 57 -0.177 13.979 1.249 1.00 0.00 C ATOM 822 C ALA A 57 0.850 15.080 1.519 1.00 0.00 C ATOM 823 O ALA A 57 0.487 16.192 1.900 1.00 0.00 O ATOM 824 CB ALA A 57 -0.625 13.272 2.531 1.00 0.00 C ATOM 0 H ALA A 57 0.626 12.107 0.755 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.057 14.450 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.052 14.002 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.376 12.520 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.233 12.790 3.000 1.00 0.00 H new ATOM 830 N MET A 58 2.111 14.733 1.310 1.00 0.00 N ATOM 831 CA MET A 58 3.193 15.678 1.526 1.00 0.00 C ATOM 832 C MET A 58 3.340 16.626 0.334 1.00 0.00 C ATOM 833 O MET A 58 4.067 17.615 0.408 1.00 0.00 O ATOM 834 CB MET A 58 4.503 14.916 1.736 1.00 0.00 C ATOM 835 CG MET A 58 5.665 15.880 1.984 1.00 0.00 C ATOM 836 SD MET A 58 6.674 15.288 3.332 1.00 0.00 S ATOM 837 CE MET A 58 7.226 13.735 2.646 1.00 0.00 C ATOM 0 H MET A 58 2.408 13.810 0.993 1.00 0.00 H new ATOM 0 HA MET A 58 2.961 16.270 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.401 14.238 2.583 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.715 14.303 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.269 15.974 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.281 16.873 2.216 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.837 12.913 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.863 13.640 1.623 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.316 13.703 2.649 1.00 0.00 H new ATOM 847 N HIS A 59 2.637 16.289 -0.738 1.00 0.00 N ATOM 848 CA HIS A 59 2.679 17.098 -1.945 1.00 0.00 C ATOM 849 C HIS A 59 1.253 17.400 -2.410 1.00 0.00 C ATOM 850 O HIS A 59 0.789 18.534 -2.303 1.00 0.00 O ATOM 851 CB HIS A 59 3.524 16.418 -3.024 1.00 0.00 C ATOM 852 CG HIS A 59 4.919 16.054 -2.574 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.249 14.796 -2.100 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.063 16.795 -2.531 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.537 14.792 -1.789 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.039 16.031 -2.056 1.00 0.00 N ATOM 0 H HIS A 59 2.035 15.467 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 59 3.164 18.051 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.013 15.514 -3.355 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.593 17.080 -3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.159 17.828 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.092 13.954 -1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.006 16.323 -1.914 1.00 0.00 H new ATOM 864 N LYS A 60 0.599 16.365 -2.917 1.00 0.00 N ATOM 865 CA LYS A 60 -0.765 16.506 -3.399 1.00 0.00 C ATOM 866 C LYS A 60 -1.673 15.540 -2.636 1.00 0.00 C ATOM 867 O LYS A 60 -1.838 14.389 -3.037 1.00 0.00 O ATOM 868 CB LYS A 60 -0.816 16.328 -4.918 1.00 0.00 C ATOM 869 CG LYS A 60 -0.080 17.466 -5.629 1.00 0.00 C ATOM 870 CD LYS A 60 1.424 17.194 -5.687 1.00 0.00 C ATOM 871 CE LYS A 60 1.871 16.888 -7.118 1.00 0.00 C ATOM 872 NZ LYS A 60 3.348 16.847 -7.202 1.00 0.00 N ATOM 0 H LYS A 60 0.988 15.426 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.136 17.513 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.367 15.373 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.854 16.298 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.472 17.582 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.264 18.405 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.969 18.059 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.671 16.354 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.456 15.932 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.483 17.648 -7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.634 16.638 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.738 17.768 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.711 16.106 -6.569 1.00 0.00 H new ATOM 886 N PRO A 61 -2.254 16.058 -1.521 1.00 0.00 N ATOM 887 CA PRO A 61 -3.142 15.254 -0.697 1.00 0.00 C ATOM 888 C PRO A 61 -4.505 15.081 -1.369 1.00 0.00 C ATOM 889 O PRO A 61 -5.159 16.063 -1.718 1.00 0.00 O ATOM 890 CB PRO A 61 -3.223 15.992 0.629 1.00 0.00 C ATOM 891 CG PRO A 61 -2.756 17.410 0.347 1.00 0.00 C ATOM 892 CD PRO A 61 -2.082 17.417 -1.016 1.00 0.00 C ATOM 0 HA PRO A 61 -2.776 14.238 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.241 15.986 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.593 15.516 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.600 18.099 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.061 17.744 1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.542 18.148 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.027 17.679 -0.935 1.00 0.00 H new ATOM 900 N GLY A 62 -4.894 13.825 -1.531 1.00 0.00 N ATOM 901 CA GLY A 62 -6.168 13.510 -2.155 1.00 0.00 C ATOM 902 C GLY A 62 -5.965 12.938 -3.559 1.00 0.00 C ATOM 903 O GLY A 62 -6.821 12.218 -4.070 1.00 0.00 O ATOM 0 H GLY A 62 -4.349 13.013 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.710 12.791 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.782 14.409 -2.210 1.00 0.00 H new ATOM 907 N LEU A 63 -4.826 13.281 -4.144 1.00 0.00 N ATOM 908 CA LEU A 63 -4.499 12.811 -5.479 1.00 0.00 C ATOM 909 C LEU A 63 -4.001 11.366 -5.399 1.00 0.00 C ATOM 910 O LEU A 63 -2.911 11.109 -4.889 1.00 0.00 O ATOM 911 CB LEU A 63 -3.512 13.764 -6.156 1.00 0.00 C ATOM 912 CG LEU A 63 -4.031 14.497 -7.396 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.617 15.969 -7.375 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.581 13.792 -8.677 1.00 0.00 C ATOM 0 H LEU A 63 -4.118 13.879 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.388 12.808 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.195 14.508 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.625 13.197 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.121 14.469 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.998 16.467 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.028 16.450 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.530 16.041 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.963 14.333 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.492 13.768 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.967 12.773 -8.686 1.00 0.00 H new ATOM 926 N TRP A 64 -4.823 10.461 -5.909 1.00 0.00 N ATOM 927 CA TRP A 64 -4.480 9.049 -5.901 1.00 0.00 C ATOM 928 C TRP A 64 -3.988 8.675 -7.301 1.00 0.00 C ATOM 929 O TRP A 64 -4.613 9.030 -8.299 1.00 0.00 O ATOM 930 CB TRP A 64 -5.664 8.200 -5.437 1.00 0.00 C ATOM 931 CG TRP A 64 -6.156 8.535 -4.028 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.133 9.381 -3.674 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.651 7.993 -2.789 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.294 9.424 -2.304 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.364 8.553 -1.749 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.625 7.060 -2.555 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.129 8.244 -0.404 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.402 6.762 -1.206 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.111 7.317 -0.147 1.00 0.00 C ATOM 0 H TRP A 64 -5.726 10.678 -6.331 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.682 8.850 -5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.488 8.330 -6.139 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.379 7.148 -5.471 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.721 9.957 -4.373 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.971 9.991 -1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.054 6.609 -3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.702 8.696 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.624 6.051 -0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.878 7.035 0.869 1.00 0.00 H new ATOM 950 N HIS A 65 -2.871 7.962 -7.330 1.00 0.00 N ATOM 951 CA HIS A 65 -2.288 7.535 -8.590 1.00 0.00 C ATOM 952 C HIS A 65 -2.158 6.011 -8.606 1.00 0.00 C ATOM 953 O HIS A 65 -1.936 5.393 -7.566 1.00 0.00 O ATOM 954 CB HIS A 65 -0.957 8.247 -8.842 1.00 0.00 C ATOM 955 CG HIS A 65 -1.014 9.743 -8.645 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.035 10.638 -9.700 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.055 10.491 -7.505 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.085 11.866 -9.207 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.097 11.773 -7.846 1.00 0.00 N ATOM 0 H HIS A 65 -2.355 7.670 -6.500 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.945 7.817 -9.413 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.202 7.831 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.632 8.037 -9.861 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.015 10.393 -10.690 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.054 10.105 -6.496 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.112 12.780 -9.781 1.00 0.00 H new ATOM 967 N HIS A 66 -2.301 5.449 -9.797 1.00 0.00 N ATOM 968 CA HIS A 66 -2.202 4.008 -9.961 1.00 0.00 C ATOM 969 C HIS A 66 -0.817 3.535 -9.517 1.00 0.00 C ATOM 970 O HIS A 66 0.196 4.113 -9.909 1.00 0.00 O ATOM 971 CB HIS A 66 -2.535 3.601 -11.398 1.00 0.00 C ATOM 972 CG HIS A 66 -2.578 2.108 -11.619 1.00 0.00 C ATOM 973 ND1 HIS A 66 -3.762 1.405 -11.761 1.00 0.00 N ATOM 974 CD2 HIS A 66 -1.572 1.193 -11.723 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.469 0.125 -11.940 1.00 0.00 C ATOM 976 NE2 HIS A 66 -2.111 -0.004 -11.915 1.00 0.00 N ATOM 0 H HIS A 66 -2.485 5.965 -10.658 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.937 3.515 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.501 4.026 -11.671 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.794 4.036 -12.069 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.515 1.407 -11.660 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.180 -0.675 -12.081 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.595 -0.877 -12.026 1.00 0.00 H new ATOM 984 N GLN A 67 -0.816 2.488 -8.705 1.00 0.00 N ATOM 985 CA GLN A 67 0.428 1.931 -8.203 1.00 0.00 C ATOM 986 C GLN A 67 0.719 0.589 -8.878 1.00 0.00 C ATOM 987 O GLN A 67 1.664 0.474 -9.657 1.00 0.00 O ATOM 988 CB GLN A 67 0.387 1.781 -6.681 1.00 0.00 C ATOM 989 CG GLN A 67 1.662 1.114 -6.161 1.00 0.00 C ATOM 990 CD GLN A 67 2.486 2.089 -5.316 1.00 0.00 C ATOM 991 OE1 GLN A 67 3.088 3.026 -5.814 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.478 1.816 -4.015 1.00 0.00 N ATOM 0 H GLN A 67 -1.658 2.011 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 67 1.236 2.621 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.270 2.761 -6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.481 1.188 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.402 0.240 -5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.260 0.760 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.952 1.015 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.998 2.408 -3.367 1.00 0.00 H new ATOM 1001 N THR A 68 -0.111 -0.392 -8.555 1.00 0.00 N ATOM 1002 CA THR A 68 0.045 -1.721 -9.120 1.00 0.00 C ATOM 1003 C THR A 68 -1.132 -2.613 -8.720 1.00 0.00 C ATOM 1004 O THR A 68 -1.787 -2.365 -7.709 1.00 0.00 O ATOM 1005 CB THR A 68 1.402 -2.269 -8.673 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.621 -3.392 -9.523 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.357 -2.869 -7.267 1.00 0.00 C ATOM 0 H THR A 68 -0.894 -0.293 -7.909 1.00 0.00 H new ATOM 0 HA THR A 68 0.033 -1.691 -10.210 1.00 0.00 H new ATOM 0 HB THR A 68 2.143 -1.470 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.481 -3.807 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.345 -3.243 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.054 -2.103 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.640 -3.690 -7.244 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.364 -3.632 -9.534 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.451 -4.562 -9.277 1.00 0.00 C ATOM 1017 C GLU A 69 -1.934 -6.002 -9.301 1.00 0.00 C ATOM 1018 O GLU A 69 -0.855 -6.269 -9.828 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.586 -4.371 -10.284 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.091 -4.584 -11.716 1.00 0.00 C ATOM 1021 CD GLU A 69 -4.101 -4.047 -12.732 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -4.292 -2.811 -12.744 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -4.660 -4.884 -13.473 1.00 0.00 O ATOM 0 H GLU A 69 -0.818 -3.834 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.852 -4.356 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.392 -5.072 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.000 -3.368 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.133 -4.083 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.923 -5.646 -11.892 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.728 -6.892 -8.724 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.364 -8.298 -8.673 1.00 0.00 C ATOM 1032 C VAL A 70 -3.588 -9.150 -9.016 1.00 0.00 C ATOM 1033 O VAL A 70 -4.642 -8.618 -9.362 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.766 -8.634 -7.306 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.241 -8.727 -7.382 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.201 -7.614 -6.251 1.00 0.00 C ATOM 0 H VAL A 70 -3.622 -6.667 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.595 -8.521 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.147 -9.610 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.158 -8.967 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.041 -9.508 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.166 -7.772 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.762 -7.876 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.864 -6.620 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.288 -7.618 -6.167 1.00 0.00 H new ATOM 1046 N SER A 71 -3.408 -10.458 -8.907 1.00 0.00 N ATOM 1047 CA SER A 71 -4.484 -11.388 -9.202 1.00 0.00 C ATOM 1048 C SER A 71 -5.541 -11.333 -8.096 1.00 0.00 C ATOM 1049 O SER A 71 -5.317 -10.729 -7.049 1.00 0.00 O ATOM 1050 CB SER A 71 -3.952 -12.815 -9.357 1.00 0.00 C ATOM 1051 OG SER A 71 -4.203 -13.339 -10.658 1.00 0.00 O ATOM 0 H SER A 71 -2.533 -10.896 -8.618 1.00 0.00 H new ATOM 0 HA SER A 71 -4.940 -11.094 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.880 -12.825 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.418 -13.459 -8.611 1.00 0.00 H new ATOM 0 HG SER A 71 -3.847 -14.250 -10.718 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.669 -11.972 -8.368 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.761 -12.003 -7.409 1.00 0.00 C ATOM 1059 C GLY A 72 -7.627 -13.199 -6.464 1.00 0.00 C ATOM 1060 O GLY A 72 -8.614 -13.653 -5.888 1.00 0.00 O ATOM 0 H GLY A 72 -6.851 -12.472 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.769 -11.078 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.713 -12.058 -7.938 1.00 0.00 H new ATOM 1064 N THR A 73 -6.397 -13.676 -6.335 1.00 0.00 N ATOM 1065 CA THR A 73 -6.121 -14.811 -5.470 1.00 0.00 C ATOM 1066 C THR A 73 -5.181 -14.400 -4.335 1.00 0.00 C ATOM 1067 O THR A 73 -5.334 -14.854 -3.203 1.00 0.00 O ATOM 1068 CB THR A 73 -5.568 -15.943 -6.338 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.684 -16.808 -6.532 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.550 -16.808 -5.592 1.00 0.00 C ATOM 0 H THR A 73 -5.581 -13.297 -6.815 1.00 0.00 H new ATOM 0 HA THR A 73 -7.029 -15.169 -4.984 1.00 0.00 H new ATOM 0 HB THR A 73 -5.103 -15.523 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.415 -17.570 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.189 -17.596 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.711 -16.189 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.024 -17.256 -4.718 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.229 -13.545 -4.679 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.264 -13.068 -3.703 1.00 0.00 C ATOM 1080 C GLN A 74 -3.823 -11.859 -2.951 1.00 0.00 C ATOM 1081 O GLN A 74 -4.821 -11.272 -3.367 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.930 -12.729 -4.371 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.968 -11.332 -4.994 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.559 -10.849 -5.343 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.182 -11.489 -6.071 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.232 -9.687 -4.785 1.00 0.00 N ATOM 0 H GLN A 74 -4.105 -13.170 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.080 -13.866 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.127 -12.781 -3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.706 -13.468 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.584 -11.347 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.434 -10.633 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.900 -9.203 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.687 -9.280 -4.957 1.00 0.00 H new ATOM 1095 N THR A 75 -3.156 -11.523 -1.856 1.00 0.00 N ATOM 1096 CA THR A 75 -3.574 -10.394 -1.042 1.00 0.00 C ATOM 1097 C THR A 75 -2.354 -9.659 -0.483 1.00 0.00 C ATOM 1098 O THR A 75 -2.469 -8.902 0.480 1.00 0.00 O ATOM 1099 CB THR A 75 -4.519 -10.917 0.042 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.964 -12.177 0.407 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.904 -11.265 -0.507 1.00 0.00 C ATOM 0 H THR A 75 -2.329 -12.013 -1.514 1.00 0.00 H new ATOM 0 HA THR A 75 -4.114 -9.656 -1.636 1.00 0.00 H new ATOM 0 HB THR A 75 -4.618 -10.169 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.514 -12.586 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.535 -11.631 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.356 -10.375 -0.945 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.809 -12.037 -1.270 1.00 0.00 H new ATOM 1109 N THR A 76 -1.214 -9.908 -1.110 1.00 0.00 N ATOM 1110 CA THR A 76 0.026 -9.280 -0.687 1.00 0.00 C ATOM 1111 C THR A 76 0.840 -8.834 -1.903 1.00 0.00 C ATOM 1112 O THR A 76 1.209 -9.654 -2.742 1.00 0.00 O ATOM 1113 CB THR A 76 0.771 -10.265 0.215 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.823 -11.466 -0.551 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.037 -10.649 1.456 1.00 0.00 C ATOM 0 H THR A 76 -1.123 -10.536 -1.908 1.00 0.00 H new ATOM 0 HA THR A 76 -0.166 -8.373 -0.114 1.00 0.00 H new ATOM 0 HB THR A 76 1.721 -9.829 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.946 -11.245 -1.498 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.538 -11.350 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.252 -9.755 2.041 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.973 -11.116 1.150 1.00 0.00 H new ATOM 1123 N ALA A 77 1.095 -7.535 -1.961 1.00 0.00 N ATOM 1124 CA ALA A 77 1.858 -6.970 -3.060 1.00 0.00 C ATOM 1125 C ALA A 77 2.955 -6.062 -2.500 1.00 0.00 C ATOM 1126 O ALA A 77 2.772 -5.429 -1.462 1.00 0.00 O ATOM 1127 CB ALA A 77 0.915 -6.227 -4.008 1.00 0.00 C ATOM 0 H ALA A 77 0.786 -6.858 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 77 2.344 -7.759 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.488 -5.803 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.173 -6.922 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.411 -5.426 -3.467 1.00 0.00 H new ATOM 1133 N GLN A 78 4.072 -6.028 -3.213 1.00 0.00 N ATOM 1134 CA GLN A 78 5.198 -5.209 -2.801 1.00 0.00 C ATOM 1135 C GLN A 78 4.959 -3.746 -3.182 1.00 0.00 C ATOM 1136 O GLN A 78 4.538 -3.454 -4.300 1.00 0.00 O ATOM 1137 CB GLN A 78 6.504 -5.727 -3.407 1.00 0.00 C ATOM 1138 CG GLN A 78 7.120 -6.819 -2.530 1.00 0.00 C ATOM 1139 CD GLN A 78 7.082 -8.176 -3.236 1.00 0.00 C ATOM 1140 OE1 GLN A 78 6.588 -9.162 -2.714 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.628 -8.170 -4.449 1.00 0.00 N ATOM 0 H GLN A 78 4.220 -6.555 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 78 5.289 -5.271 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.315 -6.121 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.209 -4.904 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.151 -6.559 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.578 -6.881 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.024 -7.309 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.651 -9.027 -5.002 1.00 0.00 H new ATOM 1150 N LEU A 79 5.237 -2.867 -2.231 1.00 0.00 N ATOM 1151 CA LEU A 79 5.057 -1.442 -2.453 1.00 0.00 C ATOM 1152 C LEU A 79 6.427 -0.766 -2.536 1.00 0.00 C ATOM 1153 O LEU A 79 7.264 -0.940 -1.651 1.00 0.00 O ATOM 1154 CB LEU A 79 4.140 -0.845 -1.384 1.00 0.00 C ATOM 1155 CG LEU A 79 2.708 -1.381 -1.353 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.755 -0.364 -0.721 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.250 -1.802 -2.751 1.00 0.00 C ATOM 0 H LEU A 79 5.586 -3.114 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 79 4.556 -1.265 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.593 -1.018 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.100 0.234 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 79 2.691 -2.272 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.744 -0.770 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.072 -0.155 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.770 0.558 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.229 -2.179 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.287 -0.942 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.908 -2.585 -3.129 1.00 0.00 H new ATOM 1169 N ASN A 80 6.615 -0.010 -3.608 1.00 0.00 N ATOM 1170 CA ASN A 80 7.869 0.692 -3.818 1.00 0.00 C ATOM 1171 C ASN A 80 7.799 2.065 -3.145 1.00 0.00 C ATOM 1172 O ASN A 80 7.078 2.949 -3.606 1.00 0.00 O ATOM 1173 CB ASN A 80 8.137 0.909 -5.308 1.00 0.00 C ATOM 1174 CG ASN A 80 9.380 0.141 -5.760 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.312 -0.081 -5.005 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.342 -0.251 -7.030 1.00 0.00 N ATOM 0 H ASN A 80 5.919 0.131 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 80 8.669 0.086 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.273 0.583 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.271 1.973 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.125 -0.771 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.530 -0.032 -7.607 1.00 0.00 H new ATOM 1183 N LEU A 81 8.557 2.200 -2.067 1.00 0.00 N ATOM 1184 CA LEU A 81 8.589 3.450 -1.327 1.00 0.00 C ATOM 1185 C LEU A 81 9.909 4.171 -1.610 1.00 0.00 C ATOM 1186 O LEU A 81 10.937 3.530 -1.825 1.00 0.00 O ATOM 1187 CB LEU A 81 8.332 3.199 0.160 1.00 0.00 C ATOM 1188 CG LEU A 81 7.179 2.249 0.490 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.819 2.319 1.975 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.970 2.521 -0.407 1.00 0.00 C ATOM 0 H LEU A 81 9.154 1.465 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 81 7.787 4.110 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.244 2.800 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.136 4.157 0.641 1.00 0.00 H new ATOM 0 HG LEU A 81 7.507 1.230 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.997 1.634 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.686 2.037 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.518 3.335 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.165 1.832 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.631 3.546 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.252 2.379 -1.450 1.00 0.00 H new ATOM 1202 N SER A 82 9.837 5.494 -1.601 1.00 0.00 N ATOM 1203 CA SER A 82 11.013 6.309 -1.853 1.00 0.00 C ATOM 1204 C SER A 82 11.276 7.233 -0.662 1.00 0.00 C ATOM 1205 O SER A 82 10.378 7.490 0.138 1.00 0.00 O ATOM 1206 CB SER A 82 10.850 7.129 -3.135 1.00 0.00 C ATOM 1207 OG SER A 82 11.843 6.806 -4.105 1.00 0.00 O ATOM 0 H SER A 82 8.982 6.022 -1.423 1.00 0.00 H new ATOM 0 HA SER A 82 11.867 5.645 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.860 6.951 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.908 8.191 -2.896 1.00 0.00 H new ATOM 0 HG SER A 82 11.704 7.349 -4.909 1.00 0.00 H new ATOM 1213 N PRO A 83 12.543 7.719 -0.580 1.00 0.00 N ATOM 1214 CA PRO A 83 12.935 8.608 0.500 1.00 0.00 C ATOM 1215 C PRO A 83 12.373 10.014 0.283 1.00 0.00 C ATOM 1216 O PRO A 83 12.366 10.518 -0.839 1.00 0.00 O ATOM 1217 CB PRO A 83 14.455 8.571 0.508 1.00 0.00 C ATOM 1218 CG PRO A 83 14.866 8.033 -0.853 1.00 0.00 C ATOM 1219 CD PRO A 83 13.633 7.435 -1.510 1.00 0.00 C ATOM 0 HA PRO A 83 12.537 8.297 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.869 9.565 0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.826 7.932 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.278 8.831 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.645 7.278 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.448 7.883 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.749 6.363 -1.668 1.00 0.00 H new ATOM 1227 N TYR A 84 11.915 10.609 1.375 1.00 0.00 N ATOM 1228 CA TYR A 84 11.352 11.947 1.319 1.00 0.00 C ATOM 1229 C TYR A 84 10.079 11.971 0.471 1.00 0.00 C ATOM 1230 O TYR A 84 10.080 12.497 -0.641 1.00 0.00 O ATOM 1231 CB TYR A 84 12.414 12.823 0.650 1.00 0.00 C ATOM 1232 CG TYR A 84 13.839 12.553 1.135 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.244 13.008 2.374 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.720 11.855 0.334 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.586 12.754 2.830 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.062 11.601 0.791 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.429 12.063 2.016 1.00 0.00 C ATOM 1238 OH TYR A 84 17.696 11.823 2.447 1.00 0.00 O ATOM 0 H TYR A 84 11.923 10.188 2.304 1.00 0.00 H new ATOM 0 HA TYR A 84 11.091 12.296 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.372 12.667 -0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.172 13.870 0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.555 13.554 3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.403 11.499 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.916 13.104 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.761 11.056 0.174 1.00 0.00 H new ATOM 0 HH TYR A 84 18.184 11.319 1.763 1.00 0.00 H new ATOM 1248 N VAL A 85 9.024 11.396 1.028 1.00 0.00 N ATOM 1249 CA VAL A 85 7.747 11.345 0.336 1.00 0.00 C ATOM 1250 C VAL A 85 6.740 10.571 1.190 1.00 0.00 C ATOM 1251 O VAL A 85 6.942 9.393 1.479 1.00 0.00 O ATOM 1252 CB VAL A 85 7.932 10.746 -1.059 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.776 9.471 -1.002 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.580 10.478 -1.724 1.00 0.00 C ATOM 0 H VAL A 85 9.027 10.961 1.951 1.00 0.00 H new ATOM 0 HA VAL A 85 7.349 12.350 0.194 1.00 0.00 H new ATOM 0 HB VAL A 85 8.467 11.475 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.892 9.066 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.758 9.703 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.281 8.735 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.740 10.052 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.008 9.777 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.028 11.413 -1.816 1.00 0.00 H new ATOM 1264 N ASN A 86 5.678 11.267 1.571 1.00 0.00 N ATOM 1265 CA ASN A 86 4.640 10.660 2.386 1.00 0.00 C ATOM 1266 C ASN A 86 3.426 10.347 1.508 1.00 0.00 C ATOM 1267 O ASN A 86 3.135 11.077 0.562 1.00 0.00 O ATOM 1268 CB ASN A 86 4.187 11.609 3.497 1.00 0.00 C ATOM 1269 CG ASN A 86 3.179 10.927 4.424 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.372 9.813 4.882 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.094 11.656 4.673 1.00 0.00 N ATOM 0 H ASN A 86 5.515 12.245 1.330 1.00 0.00 H new ATOM 0 HA ASN A 86 5.048 9.752 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.051 11.939 4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.738 12.500 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.361 11.289 5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.995 12.582 4.257 1.00 0.00 H new ATOM 1278 N TYR A 87 2.751 9.260 1.852 1.00 0.00 N ATOM 1279 CA TYR A 87 1.576 8.841 1.107 1.00 0.00 C ATOM 1280 C TYR A 87 0.924 7.618 1.755 1.00 0.00 C ATOM 1281 O TYR A 87 1.527 6.965 2.605 1.00 0.00 O ATOM 1282 CB TYR A 87 2.075 8.459 -0.287 1.00 0.00 C ATOM 1283 CG TYR A 87 3.431 7.750 -0.291 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.604 6.587 0.432 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.482 8.273 -1.017 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.880 5.920 0.429 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.758 7.606 -1.020 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.894 6.463 -0.297 1.00 0.00 C ATOM 1289 OH TYR A 87 7.099 5.832 -0.300 1.00 0.00 O ATOM 0 H TYR A 87 2.996 8.657 2.637 1.00 0.00 H new ATOM 0 HA TYR A 87 0.833 9.638 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.337 7.812 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.146 9.360 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.782 6.177 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.347 9.183 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.029 5.009 0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.588 8.005 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 87 7.650 6.176 0.434 1.00 0.00 H new ATOM 1299 N SER A 88 -0.301 7.346 1.329 1.00 0.00 N ATOM 1300 CA SER A 88 -1.042 6.213 1.857 1.00 0.00 C ATOM 1301 C SER A 88 -1.146 5.115 0.796 1.00 0.00 C ATOM 1302 O SER A 88 -0.624 5.263 -0.308 1.00 0.00 O ATOM 1303 CB SER A 88 -2.437 6.636 2.321 1.00 0.00 C ATOM 1304 OG SER A 88 -2.417 7.197 3.631 1.00 0.00 O ATOM 0 H SER A 88 -0.799 7.890 0.625 1.00 0.00 H new ATOM 0 HA SER A 88 -0.503 5.824 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.846 7.364 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.101 5.772 2.307 1.00 0.00 H new ATOM 0 HG SER A 88 -3.326 7.456 3.890 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.822 4.039 1.169 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.001 2.916 0.263 1.00 0.00 C ATOM 1312 C PHE A 89 -3.449 2.421 0.282 1.00 0.00 C ATOM 1313 O PHE A 89 -3.968 2.052 1.334 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.084 1.794 0.755 1.00 0.00 C ATOM 1315 CG PHE A 89 0.383 2.205 0.893 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.998 2.882 -0.113 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.072 1.894 2.024 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.360 3.263 0.015 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.434 2.276 2.153 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.049 2.952 1.146 1.00 0.00 C ATOM 0 H PHE A 89 -2.253 3.920 2.086 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.763 3.219 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.444 1.442 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.152 0.954 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.450 3.130 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.584 1.357 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.849 3.799 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.981 2.030 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.085 3.242 1.244 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.059 2.429 -0.894 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.436 1.986 -1.026 1.00 0.00 C ATOM 1332 C ARG A 90 -5.518 0.781 -1.965 1.00 0.00 C ATOM 1333 O ARG A 90 -4.986 0.816 -3.074 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.326 3.107 -1.566 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.103 3.310 -3.066 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.526 4.716 -3.498 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.418 4.636 -4.676 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.252 5.614 -5.054 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.313 6.753 -4.350 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -9.025 5.455 -6.137 1.00 0.00 N ATOM 0 H ARG A 90 -3.624 2.736 -1.764 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.790 1.703 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.373 2.867 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.112 4.034 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.051 3.153 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.672 2.567 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.038 5.219 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.646 5.312 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.397 3.783 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.724 6.875 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.948 7.497 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.979 4.589 -6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.660 6.200 -6.424 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.189 -0.257 -1.488 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.348 -1.470 -2.271 1.00 0.00 C ATOM 1356 C VAL A 91 -7.742 -1.487 -2.900 1.00 0.00 C ATOM 1357 O VAL A 91 -8.716 -1.074 -2.271 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.070 -2.696 -1.399 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.239 -3.989 -2.200 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.677 -2.619 -0.771 1.00 0.00 C ATOM 0 H VAL A 91 -6.629 -0.283 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.624 -1.496 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.802 -2.704 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.036 -4.845 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.260 -4.053 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.542 -3.992 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.506 -3.503 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.925 -2.573 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.607 -1.726 -0.150 1.00 0.00 H new ATOM 1370 N MET A 92 -7.795 -1.970 -4.133 1.00 0.00 N ATOM 1371 CA MET A 92 -9.054 -2.046 -4.854 1.00 0.00 C ATOM 1372 C MET A 92 -9.321 -3.472 -5.341 1.00 0.00 C ATOM 1373 O MET A 92 -8.389 -4.249 -5.538 1.00 0.00 O ATOM 1374 CB MET A 92 -9.015 -1.096 -6.052 1.00 0.00 C ATOM 1375 CG MET A 92 -9.175 0.358 -5.605 1.00 0.00 C ATOM 1376 SD MET A 92 -7.952 1.382 -6.405 1.00 0.00 S ATOM 1377 CE MET A 92 -6.462 0.677 -5.722 1.00 0.00 C ATOM 0 H MET A 92 -6.986 -2.313 -4.651 1.00 0.00 H new ATOM 0 HA MET A 92 -9.857 -1.757 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.071 -1.215 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.810 -1.355 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.176 0.714 -5.850 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.068 0.428 -4.523 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.799 1.477 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.716 0.043 -4.872 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.960 0.080 -6.483 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.599 -3.771 -5.521 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.001 -5.090 -5.981 1.00 0.00 C ATOM 1389 C ALA A 93 -11.779 -4.952 -7.291 1.00 0.00 C ATOM 1390 O ALA A 93 -12.646 -4.089 -7.415 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.817 -5.785 -4.889 1.00 0.00 C ATOM 0 H ALA A 93 -11.370 -3.123 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.127 -5.711 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.118 -6.774 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.210 -5.884 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.704 -5.193 -4.665 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.441 -5.818 -8.236 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.097 -5.804 -9.532 1.00 0.00 C ATOM 1399 C VAL A 94 -12.567 -7.219 -9.877 1.00 0.00 C ATOM 1400 O VAL A 94 -11.804 -8.176 -9.756 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.159 -5.212 -10.587 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -11.944 -4.730 -11.809 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.314 -4.082 -9.997 1.00 0.00 C ATOM 0 H VAL A 94 -10.722 -6.533 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.980 -5.166 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.481 -6.001 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.254 -4.314 -12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.481 -5.569 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.656 -3.963 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.657 -3.679 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.969 -3.292 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.714 -4.469 -9.173 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.820 -7.306 -10.298 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.400 -8.588 -10.660 1.00 0.00 C ATOM 1415 C ASN A 95 -15.119 -8.455 -12.004 1.00 0.00 C ATOM 1416 O ASN A 95 -14.948 -7.461 -12.709 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.425 -9.042 -9.619 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.619 -8.088 -9.572 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.856 -7.303 -10.476 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.357 -8.198 -8.471 1.00 0.00 N ATOM 0 H ASN A 95 -14.450 -6.510 -10.397 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.594 -9.320 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.769 -10.049 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.954 -9.090 -8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.177 -7.604 -8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.103 -8.876 -7.752 1.00 0.00 H new ATOM 1427 N SER A 96 -15.908 -9.472 -12.320 1.00 0.00 N ATOM 1428 CA SER A 96 -16.653 -9.482 -13.567 1.00 0.00 C ATOM 1429 C SER A 96 -17.410 -8.163 -13.735 1.00 0.00 C ATOM 1430 O SER A 96 -17.442 -7.596 -14.826 1.00 0.00 O ATOM 1431 CB SER A 96 -17.625 -10.662 -13.619 1.00 0.00 C ATOM 1432 OG SER A 96 -17.142 -11.717 -14.446 1.00 0.00 O ATOM 0 H SER A 96 -16.047 -10.295 -11.734 1.00 0.00 H new ATOM 0 HA SER A 96 -15.944 -9.594 -14.387 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.791 -11.040 -12.610 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.590 -10.320 -13.994 1.00 0.00 H new ATOM 0 HG SER A 96 -17.791 -12.452 -14.451 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.000 -7.713 -12.638 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.755 -6.471 -12.650 1.00 0.00 C ATOM 1440 C ILE A 97 -17.827 -5.319 -13.042 1.00 0.00 C ATOM 1441 O ILE A 97 -17.811 -4.896 -14.197 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.463 -6.261 -11.310 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.327 -7.472 -10.951 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.270 -4.961 -11.314 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.729 -7.341 -11.551 1.00 0.00 C ATOM 0 H ILE A 97 -17.971 -8.186 -11.735 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.546 -6.513 -13.399 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.704 -6.166 -10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.854 -8.383 -11.318 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.398 -7.564 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.763 -4.836 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.602 -4.118 -11.492 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.021 -5.001 -12.103 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.323 -8.214 -11.281 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.208 -6.442 -11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.655 -7.273 -12.636 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.077 -4.845 -12.059 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.149 -3.750 -12.286 1.00 0.00 C ATOM 1459 C GLY A 98 -15.211 -3.568 -11.091 1.00 0.00 C ATOM 1460 O GLY A 98 -15.031 -4.488 -10.294 1.00 0.00 O ATOM 0 H GLY A 98 -17.093 -5.199 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.564 -3.945 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.704 -2.828 -12.460 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.640 -2.376 -11.004 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.725 -2.062 -9.919 1.00 0.00 C ATOM 1466 C LYS A 99 -14.499 -1.388 -8.785 1.00 0.00 C ATOM 1467 O LYS A 99 -15.306 -0.492 -9.026 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.546 -1.235 -10.435 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.532 -0.972 -9.320 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.146 -0.679 -9.898 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.026 0.787 -10.318 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.130 1.675 -9.138 1.00 0.00 N ATOM 0 H LYS A 99 -14.793 -1.616 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.290 -2.974 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.060 -1.761 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.908 -0.287 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.863 -0.129 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.479 -1.838 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.382 -0.912 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.963 -1.324 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.073 0.950 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.810 1.031 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.675 2.586 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.132 1.833 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.656 1.231 -8.326 1.00 0.00 H new ATOM 1486 N SER A 100 -14.226 -1.846 -7.571 1.00 0.00 N ATOM 1487 CA SER A 100 -14.887 -1.299 -6.399 1.00 0.00 C ATOM 1488 C SER A 100 -14.110 -0.088 -5.877 1.00 0.00 C ATOM 1489 O SER A 100 -13.061 0.260 -6.418 1.00 0.00 O ATOM 1490 CB SER A 100 -15.024 -2.355 -5.301 1.00 0.00 C ATOM 1491 OG SER A 100 -13.759 -2.741 -4.770 1.00 0.00 O ATOM 0 H SER A 100 -13.556 -2.590 -7.375 1.00 0.00 H new ATOM 0 HA SER A 100 -15.889 -0.982 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.650 -1.964 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.531 -3.232 -5.703 1.00 0.00 H new ATOM 0 HG SER A 100 -13.879 -3.492 -4.152 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.654 0.519 -4.833 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.024 1.683 -4.233 1.00 0.00 C ATOM 1499 C LEU A 101 -12.718 1.260 -3.559 1.00 0.00 C ATOM 1500 O LEU A 101 -12.505 0.077 -3.296 1.00 0.00 O ATOM 1501 CB LEU A 101 -14.999 2.394 -3.292 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.035 3.301 -3.960 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.098 3.751 -2.956 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.360 4.488 -4.650 1.00 0.00 C ATOM 0 H LEU A 101 -15.524 0.227 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.766 2.414 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.528 1.639 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.422 2.993 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.545 2.726 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.822 4.394 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.608 2.877 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.622 4.302 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.118 5.117 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.808 5.071 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.672 4.123 -5.412 1.00 0.00 H new ATOM 1516 N PRO A 102 -11.854 2.275 -3.291 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.574 2.020 -2.653 1.00 0.00 C ATOM 1518 C PRO A 102 -10.753 1.733 -1.160 1.00 0.00 C ATOM 1519 O PRO A 102 -11.596 2.343 -0.504 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.744 3.265 -2.923 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.737 4.354 -3.297 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.072 3.688 -3.588 1.00 0.00 C ATOM 0 HA PRO A 102 -10.077 1.133 -3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.167 3.548 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.031 3.092 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.838 5.073 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.388 4.906 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.866 4.105 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.369 3.833 -4.627 1.00 0.00 H new ATOM 1530 N SER A 103 -9.945 0.806 -0.668 1.00 0.00 N ATOM 1531 CA SER A 103 -10.004 0.431 0.735 1.00 0.00 C ATOM 1532 C SER A 103 -9.952 1.682 1.614 1.00 0.00 C ATOM 1533 O SER A 103 -9.543 2.749 1.157 1.00 0.00 O ATOM 1534 CB SER A 103 -8.862 -0.521 1.099 1.00 0.00 C ATOM 1535 OG SER A 103 -7.643 0.175 1.341 1.00 0.00 O ATOM 0 H SER A 103 -9.246 0.303 -1.215 1.00 0.00 H new ATOM 0 HA SER A 103 -10.945 -0.090 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.135 -1.092 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.716 -1.238 0.291 1.00 0.00 H new ATOM 0 HG SER A 103 -7.604 0.974 0.775 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.371 1.510 2.859 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.378 2.612 3.805 1.00 0.00 C ATOM 1543 C GLU A 104 -9.175 3.526 3.564 1.00 0.00 C ATOM 1544 O GLU A 104 -9.299 4.562 2.913 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.395 2.097 5.246 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.759 2.336 5.897 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.676 3.439 6.954 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.483 4.604 6.545 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -11.807 3.092 8.148 1.00 0.00 O ATOM 0 H GLU A 104 -10.708 0.624 3.234 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.287 3.193 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.164 1.032 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.619 2.598 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.487 2.612 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.114 1.413 6.356 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.038 3.109 4.102 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.813 3.877 3.953 1.00 0.00 C ATOM 1558 C ALA A 105 -5.801 3.424 5.006 1.00 0.00 C ATOM 1559 O ALA A 105 -5.760 3.968 6.109 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.132 5.370 4.055 1.00 0.00 C ATOM 0 H ALA A 105 -7.939 2.249 4.642 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.368 3.704 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.214 5.947 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.833 5.647 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.577 5.581 5.027 1.00 0.00 H new ATOM 1566 N SER A 106 -5.008 2.431 4.630 1.00 0.00 N ATOM 1567 CA SER A 106 -3.998 1.898 5.528 1.00 0.00 C ATOM 1568 C SER A 106 -3.210 3.043 6.168 1.00 0.00 C ATOM 1569 O SER A 106 -3.215 4.164 5.661 1.00 0.00 O ATOM 1570 CB SER A 106 -3.051 0.949 4.792 1.00 0.00 C ATOM 1571 OG SER A 106 -1.854 1.603 4.378 1.00 0.00 O ATOM 0 H SER A 106 -5.045 1.982 3.715 1.00 0.00 H new ATOM 0 HA SER A 106 -4.502 1.330 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.800 0.111 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.558 0.535 3.920 1.00 0.00 H new ATOM 0 HG SER A 106 -2.058 2.232 3.655 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.550 2.722 7.271 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.759 3.709 7.985 1.00 0.00 C ATOM 1579 C GLU A 107 -0.827 4.443 7.018 1.00 0.00 C ATOM 1580 O GLU A 107 -0.348 3.858 6.048 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.967 3.060 9.122 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.508 1.653 8.736 1.00 0.00 C ATOM 1583 CD GLU A 107 0.800 1.290 9.443 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.847 1.810 9.001 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.722 0.501 10.409 1.00 0.00 O ATOM 0 H GLU A 107 -2.547 1.791 7.688 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.438 4.437 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.101 3.675 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.584 3.012 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.280 0.930 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.370 1.595 7.656 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.599 5.714 7.315 1.00 0.00 N ATOM 1593 CA GLN A 108 0.266 6.533 6.484 1.00 0.00 C ATOM 1594 C GLN A 108 1.724 6.097 6.644 1.00 0.00 C ATOM 1595 O GLN A 108 2.404 6.523 7.576 1.00 0.00 O ATOM 1596 CB GLN A 108 0.098 8.018 6.815 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.866 8.692 5.837 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.674 10.210 5.836 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -0.652 10.860 6.868 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.536 10.736 4.622 1.00 0.00 N ATOM 0 H GLN A 108 -0.999 6.196 8.120 1.00 0.00 H new ATOM 0 HA GLN A 108 -0.023 6.391 5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.276 8.127 7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.067 8.515 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.703 8.301 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.894 8.452 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.564 10.134 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.402 11.741 4.514 1.00 0.00 H new ATOM 1609 N TYR A 109 2.160 5.254 5.720 1.00 0.00 N ATOM 1610 CA TYR A 109 3.525 4.755 5.747 1.00 0.00 C ATOM 1611 C TYR A 109 4.497 5.787 5.170 1.00 0.00 C ATOM 1612 O TYR A 109 4.429 6.116 3.987 1.00 0.00 O ATOM 1613 CB TYR A 109 3.536 3.510 4.859 1.00 0.00 C ATOM 1614 CG TYR A 109 4.813 2.675 4.974 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.036 3.240 4.673 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.743 1.357 5.378 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.238 2.454 4.781 1.00 0.00 C ATOM 1618 CE2 TYR A 109 5.945 0.572 5.487 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.133 1.159 5.183 1.00 0.00 C ATOM 1620 OH TYR A 109 8.268 0.417 5.285 1.00 0.00 O ATOM 0 H TYR A 109 1.593 4.904 4.948 1.00 0.00 H new ATOM 0 HA TYR A 109 3.836 4.542 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.681 2.885 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.406 3.816 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.091 4.271 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.786 0.914 5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.201 2.883 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.904 -0.460 5.803 1.00 0.00 H new ATOM 0 HH TYR A 109 8.041 -0.488 5.584 1.00 0.00 H new ATOM 1630 N LEU A 110 5.379 6.269 6.033 1.00 0.00 N ATOM 1631 CA LEU A 110 6.364 7.256 5.624 1.00 0.00 C ATOM 1632 C LEU A 110 7.765 6.743 5.961 1.00 0.00 C ATOM 1633 O LEU A 110 8.104 6.575 7.132 1.00 0.00 O ATOM 1634 CB LEU A 110 6.043 8.619 6.241 1.00 0.00 C ATOM 1635 CG LEU A 110 6.484 9.841 5.433 1.00 0.00 C ATOM 1636 CD1 LEU A 110 6.917 10.982 6.356 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.578 9.469 4.429 1.00 0.00 C ATOM 0 H LEU A 110 5.432 5.994 7.014 1.00 0.00 H new ATOM 0 HA LEU A 110 6.330 7.404 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.966 8.681 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.511 8.670 7.224 1.00 0.00 H new ATOM 0 HG LEU A 110 5.629 10.198 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.226 11.838 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.083 11.269 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.752 10.653 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.873 10.355 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.442 9.073 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.199 8.714 3.741 1.00 0.00 H new