USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 32 TYR OH : rot -54:sc= 0.207 USER MOD Set 1.2: A 40 CYS SG : rot 170:sc= -0.0202 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.083) USER MOD Single : A 15 MET CE :methyl -101:sc= -0.143 (180deg=-2.98!) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 18 MET CE :methyl -171:sc=-0.00543 (180deg=-0.0126) USER MOD Single : A 20 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.79) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -172:sc= 0.21 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 11:sc= 0.251 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.52 X(o=-3.5,f=-3.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 70 TYR OH : rot 23:sc= 0.905 USER MOD Single : A 72 ASN : amide:sc= -0.552 K(o=-0.55,f=-1.6) USER MOD Single : A 78 SER OG : rot -35:sc= -0.769 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.918 USER MOD Single : A 89 SER OG : rot 160:sc= -1.62 USER MOD Single : A 90 THR OG1 : rot 47:sc= 1.1 USER MOD Single : A 96 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.332 -12.058 7.507 1.00 0.00 N ATOM 105 CA LEU A 11 -2.930 -10.929 6.804 1.00 0.00 C ATOM 106 C LEU A 11 -4.402 -11.193 6.503 1.00 0.00 C ATOM 107 O LEU A 11 -5.253 -10.330 6.718 1.00 0.00 O ATOM 108 CB LEU A 11 -2.174 -10.654 5.503 1.00 0.00 C ATOM 109 CG LEU A 11 -2.390 -9.275 4.879 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.811 -8.189 5.772 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.769 -9.214 3.491 1.00 0.00 C ATOM 0 HA LEU A 11 -2.861 -10.053 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.108 -10.782 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.462 -11.410 4.773 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.462 -9.105 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.974 -7.214 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.302 -8.218 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.741 -8.355 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.933 -8.225 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.698 -9.406 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.231 -9.967 2.852 1.00 0.00 H new ATOM 123 N GLU A 12 -4.695 -12.391 6.008 1.00 0.00 N ATOM 124 CA GLU A 12 -6.064 -12.768 5.680 1.00 0.00 C ATOM 125 C GLU A 12 -6.982 -12.587 6.886 1.00 0.00 C ATOM 126 O GLU A 12 -8.119 -12.133 6.753 1.00 0.00 O ATOM 127 CB GLU A 12 -6.116 -14.220 5.200 1.00 0.00 C ATOM 128 CG GLU A 12 -5.944 -14.372 3.698 1.00 0.00 C ATOM 129 CD GLU A 12 -6.774 -13.375 2.912 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.008 -13.353 3.101 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.190 -12.618 2.110 1.00 0.00 O ATOM 0 H GLU A 12 -4.002 -13.117 5.825 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.411 -12.115 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.336 -14.789 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.070 -14.657 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.892 -14.245 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.224 -15.384 3.404 1.00 0.00 H new ATOM 138 N LYS A 13 -6.481 -12.945 8.063 1.00 0.00 N ATOM 139 CA LYS A 13 -7.253 -12.821 9.294 1.00 0.00 C ATOM 140 C LYS A 13 -7.575 -11.360 9.590 1.00 0.00 C ATOM 141 O LYS A 13 -8.742 -10.970 9.644 1.00 0.00 O ATOM 142 CB LYS A 13 -6.483 -13.433 10.466 1.00 0.00 C ATOM 143 CG LYS A 13 -6.782 -14.905 10.689 1.00 0.00 C ATOM 144 CD LYS A 13 -5.840 -15.792 9.893 1.00 0.00 C ATOM 145 CE LYS A 13 -4.528 -16.015 10.630 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.686 -16.960 11.770 1.00 0.00 N ATOM 0 H LYS A 13 -5.543 -13.324 8.191 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.191 -13.361 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.414 -13.311 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.722 -12.881 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.694 -15.139 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.812 -15.116 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.318 -16.752 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.641 -15.335 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.783 -16.405 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.152 -15.061 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.748 -17.257 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.199 -16.489 12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.222 -17.795 11.457 1.00 0.00 H new ATOM 160 N LEU A 14 -6.534 -10.556 9.779 1.00 0.00 N ATOM 161 CA LEU A 14 -6.706 -9.137 10.068 1.00 0.00 C ATOM 162 C LEU A 14 -7.488 -8.445 8.955 1.00 0.00 C ATOM 163 O LEU A 14 -8.553 -7.877 9.193 1.00 0.00 O ATOM 164 CB LEU A 14 -5.344 -8.463 10.244 1.00 0.00 C ATOM 165 CG LEU A 14 -5.372 -6.983 10.628 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.380 -6.824 12.140 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.184 -6.252 10.019 1.00 0.00 C ATOM 0 H LEU A 14 -5.562 -10.863 9.737 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.272 -9.047 10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.789 -9.006 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.787 -8.566 9.313 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.287 -6.542 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.400 -5.764 12.394 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.263 -7.313 12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.483 -7.281 12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.220 -5.200 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.258 -6.695 10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.223 -6.337 8.933 1.00 0.00 H new ATOM 179 N MET A 15 -6.952 -8.501 7.740 1.00 0.00 N ATOM 180 CA MET A 15 -7.602 -7.883 6.590 1.00 0.00 C ATOM 181 C MET A 15 -9.068 -8.296 6.507 1.00 0.00 C ATOM 182 O MET A 15 -9.923 -7.504 6.113 1.00 0.00 O ATOM 183 CB MET A 15 -6.877 -8.268 5.300 1.00 0.00 C ATOM 184 CG MET A 15 -5.544 -7.560 5.116 1.00 0.00 C ATOM 185 SD MET A 15 -5.713 -5.766 5.057 1.00 0.00 S ATOM 186 CE MET A 15 -4.432 -5.267 6.204 1.00 0.00 C ATOM 0 H MET A 15 -6.070 -8.967 7.527 1.00 0.00 H new ATOM 0 HA MET A 15 -7.555 -6.801 6.715 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.711 -9.345 5.294 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.520 -8.040 4.450 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.877 -7.831 5.934 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.077 -7.908 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.882 -5.015 7.164 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.725 -6.085 6.338 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.909 -4.396 5.809 1.00 0.00 H new ATOM 196 N GLU A 16 -9.349 -9.541 6.879 1.00 0.00 N ATOM 197 CA GLU A 16 -10.712 -10.058 6.844 1.00 0.00 C ATOM 198 C GLU A 16 -11.614 -9.280 7.798 1.00 0.00 C ATOM 199 O GLU A 16 -12.755 -8.960 7.468 1.00 0.00 O ATOM 200 CB GLU A 16 -10.727 -11.544 7.209 1.00 0.00 C ATOM 201 CG GLU A 16 -12.118 -12.089 7.485 1.00 0.00 C ATOM 202 CD GLU A 16 -12.952 -12.225 6.226 1.00 0.00 C ATOM 203 OE1 GLU A 16 -12.836 -11.353 5.340 1.00 0.00 O ATOM 204 OE2 GLU A 16 -13.720 -13.205 6.127 1.00 0.00 O ATOM 0 H GLU A 16 -8.652 -10.209 7.208 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.093 -9.936 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.278 -12.114 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.104 -11.699 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.033 -13.063 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.630 -11.430 8.186 1.00 0.00 H new ATOM 211 N ASN A 17 -11.092 -8.980 8.983 1.00 0.00 N ATOM 212 CA ASN A 17 -11.850 -8.240 9.987 1.00 0.00 C ATOM 213 C ASN A 17 -12.059 -6.793 9.552 1.00 0.00 C ATOM 214 O ASN A 17 -13.141 -6.232 9.726 1.00 0.00 O ATOM 215 CB ASN A 17 -11.127 -8.281 11.334 1.00 0.00 C ATOM 216 CG ASN A 17 -11.113 -9.671 11.942 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.092 -10.412 11.845 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.001 -10.030 12.572 1.00 0.00 N ATOM 0 H ASN A 17 -10.148 -9.237 9.272 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.826 -8.714 10.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.102 -7.934 11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.612 -7.591 12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.933 -10.953 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.215 -9.383 12.627 1.00 0.00 H new ATOM 225 N MET A 18 -11.016 -6.194 8.986 1.00 0.00 N ATOM 226 CA MET A 18 -11.086 -4.812 8.526 1.00 0.00 C ATOM 227 C MET A 18 -12.024 -4.685 7.330 1.00 0.00 C ATOM 228 O MET A 18 -12.976 -3.905 7.356 1.00 0.00 O ATOM 229 CB MET A 18 -9.692 -4.305 8.151 1.00 0.00 C ATOM 230 CG MET A 18 -9.682 -2.872 7.646 1.00 0.00 C ATOM 231 SD MET A 18 -8.051 -2.344 7.088 1.00 0.00 S ATOM 232 CE MET A 18 -8.023 -3.026 5.432 1.00 0.00 C ATOM 0 H MET A 18 -10.113 -6.644 8.835 1.00 0.00 H new ATOM 0 HA MET A 18 -11.479 -4.204 9.341 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.041 -4.379 9.022 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.272 -4.955 7.383 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.392 -2.775 6.824 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.022 -2.208 8.441 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.022 -2.924 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.295 -4.081 5.468 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.735 -2.489 4.805 1.00 0.00 H new ATOM 242 N ARG A 19 -11.749 -5.456 6.283 1.00 0.00 N ATOM 243 CA ARG A 19 -12.568 -5.427 5.077 1.00 0.00 C ATOM 244 C ARG A 19 -14.053 -5.446 5.427 1.00 0.00 C ATOM 245 O ARG A 19 -14.879 -4.895 4.701 1.00 0.00 O ATOM 246 CB ARG A 19 -12.230 -6.618 4.177 1.00 0.00 C ATOM 247 CG ARG A 19 -10.931 -6.450 3.406 1.00 0.00 C ATOM 248 CD ARG A 19 -10.749 -7.551 2.374 1.00 0.00 C ATOM 249 NE ARG A 19 -11.694 -7.426 1.267 1.00 0.00 N ATOM 250 CZ ARG A 19 -11.531 -8.021 0.091 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.465 -8.778 -0.131 1.00 0.00 N ATOM 252 NH2 ARG A 19 -12.435 -7.859 -0.867 1.00 0.00 N ATOM 0 H ARG A 19 -10.966 -6.108 6.245 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.350 -4.502 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.166 -7.518 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.045 -6.771 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.924 -5.480 2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.091 -6.458 4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.731 -7.520 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.878 -8.522 2.853 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.525 -6.850 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.768 -8.905 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.343 -9.234 -1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.256 -7.277 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.309 -8.316 -1.770 1.00 0.00 H new ATOM 266 N ASN A 20 -14.384 -6.085 6.545 1.00 0.00 N ATOM 267 CA ASN A 20 -15.769 -6.176 6.991 1.00 0.00 C ATOM 268 C ASN A 20 -16.310 -4.802 7.371 1.00 0.00 C ATOM 269 O ASN A 20 -17.140 -4.232 6.662 1.00 0.00 O ATOM 270 CB ASN A 20 -15.881 -7.128 8.183 1.00 0.00 C ATOM 271 CG ASN A 20 -15.990 -8.579 7.757 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.680 -8.904 6.790 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.308 -9.461 8.478 1.00 0.00 N ATOM 0 H ASN A 20 -13.712 -6.547 7.158 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.365 -6.566 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.009 -7.005 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.755 -6.860 8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.343 -10.452 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.749 -9.148 9.271 1.00 0.00 H new ATOM 280 N ASP A 21 -15.834 -4.274 8.493 1.00 0.00 N ATOM 281 CA ASP A 21 -16.268 -2.965 8.967 1.00 0.00 C ATOM 282 C ASP A 21 -15.957 -1.883 7.937 1.00 0.00 C ATOM 283 O ASP A 21 -16.586 -0.825 7.925 1.00 0.00 O ATOM 284 CB ASP A 21 -15.590 -2.630 10.297 1.00 0.00 C ATOM 285 CG ASP A 21 -16.450 -1.745 11.178 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.343 -1.059 10.638 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.230 -1.738 12.407 1.00 0.00 O ATOM 0 H ASP A 21 -15.147 -4.733 9.092 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.347 -3.000 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.361 -3.554 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.641 -2.131 10.102 1.00 0.00 H new ATOM 292 N ILE A 22 -14.983 -2.157 7.075 1.00 0.00 N ATOM 293 CA ILE A 22 -14.590 -1.207 6.042 1.00 0.00 C ATOM 294 C ILE A 22 -15.539 -1.267 4.850 1.00 0.00 C ATOM 295 O ILE A 22 -15.843 -0.247 4.233 1.00 0.00 O ATOM 296 CB ILE A 22 -13.153 -1.470 5.554 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.148 -0.720 6.431 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.004 -1.057 4.097 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.176 0.780 6.235 1.00 0.00 C ATOM 0 H ILE A 22 -14.452 -3.028 7.072 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.637 -0.215 6.491 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.949 -2.538 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.352 -0.945 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.145 -1.088 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.983 -1.249 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.698 -1.631 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.224 0.006 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.438 1.246 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.942 1.016 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.168 1.160 6.479 1.00 0.00 H new ATOM 311 N ALA A 23 -16.005 -2.471 4.531 1.00 0.00 N ATOM 312 CA ALA A 23 -16.922 -2.664 3.416 1.00 0.00 C ATOM 313 C ALA A 23 -18.356 -2.339 3.821 1.00 0.00 C ATOM 314 O ALA A 23 -19.207 -2.077 2.971 1.00 0.00 O ATOM 315 CB ALA A 23 -16.830 -4.091 2.897 1.00 0.00 C ATOM 0 H ALA A 23 -15.762 -3.327 5.030 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.633 -1.979 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.521 -4.220 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.813 -4.290 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.090 -4.786 3.695 1.00 0.00 H new ATOM 321 N SER A 24 -18.616 -2.358 5.124 1.00 0.00 N ATOM 322 CA SER A 24 -19.948 -2.069 5.642 1.00 0.00 C ATOM 323 C SER A 24 -20.064 -0.606 6.059 1.00 0.00 C ATOM 324 O SER A 24 -21.123 0.008 5.925 1.00 0.00 O ATOM 325 CB SER A 24 -20.264 -2.977 6.833 1.00 0.00 C ATOM 326 OG SER A 24 -21.661 -3.163 6.976 1.00 0.00 O ATOM 0 H SER A 24 -17.922 -2.571 5.840 1.00 0.00 H new ATOM 0 HA SER A 24 -20.669 -2.260 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.777 -3.943 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.857 -2.541 7.745 1.00 0.00 H new ATOM 0 HG SER A 24 -21.836 -3.748 7.743 1.00 0.00 H new ATOM 332 N HIS A 25 -18.967 -0.053 6.566 1.00 0.00 N ATOM 333 CA HIS A 25 -18.943 1.338 7.003 1.00 0.00 C ATOM 334 C HIS A 25 -17.739 2.071 6.420 1.00 0.00 C ATOM 335 O HIS A 25 -16.943 2.677 7.137 1.00 0.00 O ATOM 336 CB HIS A 25 -18.911 1.415 8.530 1.00 0.00 C ATOM 337 CG HIS A 25 -20.271 1.406 9.159 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.730 2.421 9.971 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.273 0.499 9.089 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.956 2.138 10.376 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.308 0.977 9.854 1.00 0.00 N ATOM 0 H HIS A 25 -18.083 -0.547 6.684 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.850 1.822 6.641 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.336 0.574 8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.387 2.323 8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.261 -0.428 8.535 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.566 2.751 11.023 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.204 0.511 9.996 1.00 0.00 H new ATOM 349 N PRO A 26 -17.600 2.014 5.087 1.00 0.00 N ATOM 350 CA PRO A 26 -16.495 2.667 4.378 1.00 0.00 C ATOM 351 C PRO A 26 -16.293 4.111 4.823 1.00 0.00 C ATOM 352 O PRO A 26 -17.240 4.817 5.170 1.00 0.00 O ATOM 353 CB PRO A 26 -16.934 2.614 2.912 1.00 0.00 C ATOM 354 CG PRO A 26 -17.848 1.441 2.833 1.00 0.00 C ATOM 355 CD PRO A 26 -18.511 1.310 4.169 1.00 0.00 C ATOM 0 HA PRO A 26 -15.541 2.176 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.442 3.532 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.079 2.495 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.590 1.583 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.293 0.536 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.504 1.760 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.635 0.265 4.453 1.00 0.00 H new ATOM 363 N PRO A 27 -15.031 4.563 4.812 1.00 0.00 N ATOM 364 CA PRO A 27 -14.676 5.929 5.211 1.00 0.00 C ATOM 365 C PRO A 27 -15.161 6.970 4.208 1.00 0.00 C ATOM 366 O PRO A 27 -15.478 6.644 3.064 1.00 0.00 O ATOM 367 CB PRO A 27 -13.146 5.899 5.254 1.00 0.00 C ATOM 368 CG PRO A 27 -12.762 4.808 4.315 1.00 0.00 C ATOM 369 CD PRO A 27 -13.852 3.777 4.410 1.00 0.00 C ATOM 0 HA PRO A 27 -15.137 6.211 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.722 6.855 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.782 5.700 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.669 5.185 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.796 4.381 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.012 3.272 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.614 3.007 5.143 1.00 0.00 H new ATOM 377 N VAL A 28 -15.215 8.225 4.644 1.00 0.00 N ATOM 378 CA VAL A 28 -15.660 9.314 3.784 1.00 0.00 C ATOM 379 C VAL A 28 -14.567 9.721 2.802 1.00 0.00 C ATOM 380 O VAL A 28 -13.469 10.104 3.205 1.00 0.00 O ATOM 381 CB VAL A 28 -16.078 10.546 4.609 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.384 11.723 3.695 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.276 10.217 5.487 1.00 0.00 C ATOM 0 H VAL A 28 -14.956 8.512 5.588 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.524 8.947 3.230 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.247 10.827 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.677 12.584 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.497 11.972 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.198 11.458 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.558 11.098 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.113 9.910 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.016 9.406 6.168 1.00 0.00 H new ATOM 393 N GLU A 29 -14.876 9.635 1.512 1.00 0.00 N ATOM 394 CA GLU A 29 -13.918 9.994 0.472 1.00 0.00 C ATOM 395 C GLU A 29 -13.526 11.465 0.578 1.00 0.00 C ATOM 396 O GLU A 29 -14.364 12.354 0.429 1.00 0.00 O ATOM 397 CB GLU A 29 -14.504 9.709 -0.912 1.00 0.00 C ATOM 398 CG GLU A 29 -15.483 10.769 -1.389 1.00 0.00 C ATOM 399 CD GLU A 29 -16.420 10.256 -2.465 1.00 0.00 C ATOM 400 OE1 GLU A 29 -17.088 9.227 -2.228 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.485 10.881 -3.543 1.00 0.00 O ATOM 0 H GLU A 29 -15.781 9.320 1.162 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.024 9.387 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.690 9.628 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.009 8.743 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.069 11.125 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.928 11.624 -1.774 1.00 0.00 H new ATOM 408 N GLY A 30 -12.246 11.713 0.837 1.00 0.00 N ATOM 409 CA GLY A 30 -11.765 13.077 0.959 1.00 0.00 C ATOM 410 C GLY A 30 -11.922 13.623 2.364 1.00 0.00 C ATOM 411 O GLY A 30 -12.127 14.823 2.552 1.00 0.00 O ATOM 0 H GLY A 30 -11.534 10.994 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.714 13.115 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.309 13.715 0.262 1.00 0.00 H new ATOM 415 N SER A 31 -11.827 12.742 3.355 1.00 0.00 N ATOM 416 CA SER A 31 -11.966 13.142 4.750 1.00 0.00 C ATOM 417 C SER A 31 -10.621 13.085 5.468 1.00 0.00 C ATOM 418 O SER A 31 -10.217 14.042 6.130 1.00 0.00 O ATOM 419 CB SER A 31 -12.975 12.240 5.463 1.00 0.00 C ATOM 420 OG SER A 31 -12.949 12.453 6.864 1.00 0.00 O ATOM 0 H SER A 31 -11.654 11.746 3.217 1.00 0.00 H new ATOM 0 HA SER A 31 -12.328 14.170 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.977 12.436 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.750 11.196 5.247 1.00 0.00 H new ATOM 0 HG SER A 31 -13.604 11.866 7.296 1.00 0.00 H new ATOM 426 N TYR A 32 -9.932 11.958 5.331 1.00 0.00 N ATOM 427 CA TYR A 32 -8.633 11.774 5.968 1.00 0.00 C ATOM 428 C TYR A 32 -7.528 12.442 5.154 1.00 0.00 C ATOM 429 O TYR A 32 -7.404 12.216 3.951 1.00 0.00 O ATOM 430 CB TYR A 32 -8.329 10.284 6.134 1.00 0.00 C ATOM 431 CG TYR A 32 -6.857 9.981 6.299 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.996 10.006 5.210 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.328 9.671 7.546 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.650 9.729 5.356 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.983 9.394 7.702 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.149 9.424 6.604 1.00 0.00 C ATOM 437 OH TYR A 32 -2.809 9.148 6.755 1.00 0.00 O ATOM 0 H TYR A 32 -10.251 11.158 4.785 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.670 12.242 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.869 9.906 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.707 9.746 5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.385 10.246 4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.979 9.646 8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.995 9.751 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.587 9.155 8.678 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.551 8.433 6.137 1.00 0.00 H new ATOM 447 N ALA A 33 -6.727 13.267 5.822 1.00 0.00 N ATOM 448 CA ALA A 33 -5.631 13.966 5.163 1.00 0.00 C ATOM 449 C ALA A 33 -4.319 13.204 5.322 1.00 0.00 C ATOM 450 O ALA A 33 -3.763 13.100 6.416 1.00 0.00 O ATOM 451 CB ALA A 33 -5.495 15.376 5.719 1.00 0.00 C ATOM 0 H ALA A 33 -6.817 13.467 6.818 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.859 14.027 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.673 15.887 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.421 15.925 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.294 15.327 6.789 1.00 0.00 H new ATOM 457 N PRO A 34 -3.812 12.658 4.207 1.00 0.00 N ATOM 458 CA PRO A 34 -2.560 11.896 4.198 1.00 0.00 C ATOM 459 C PRO A 34 -1.341 12.781 4.436 1.00 0.00 C ATOM 460 O PRO A 34 -1.148 13.785 3.751 1.00 0.00 O ATOM 461 CB PRO A 34 -2.519 11.298 2.789 1.00 0.00 C ATOM 462 CG PRO A 34 -3.342 12.223 1.961 1.00 0.00 C ATOM 463 CD PRO A 34 -4.422 12.743 2.870 1.00 0.00 C ATOM 0 HA PRO A 34 -2.530 11.151 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.497 11.235 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.926 10.287 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.736 13.039 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.770 11.703 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.700 13.767 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.328 12.141 2.803 1.00 0.00 H new ATOM 471 N ARG A 35 -0.522 12.401 5.411 1.00 0.00 N ATOM 472 CA ARG A 35 0.678 13.161 5.740 1.00 0.00 C ATOM 473 C ARG A 35 1.933 12.328 5.495 1.00 0.00 C ATOM 474 O ARG A 35 1.908 11.102 5.602 1.00 0.00 O ATOM 475 CB ARG A 35 0.634 13.619 7.199 1.00 0.00 C ATOM 476 CG ARG A 35 -0.634 14.373 7.562 1.00 0.00 C ATOM 477 CD ARG A 35 -0.479 15.868 7.332 1.00 0.00 C ATOM 478 NE ARG A 35 0.338 16.499 8.365 1.00 0.00 N ATOM 479 CZ ARG A 35 0.490 17.814 8.481 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.117 18.632 7.632 1.00 0.00 N ATOM 481 NH2 ARG A 35 1.249 18.312 9.448 1.00 0.00 N ATOM 0 H ARG A 35 -0.667 11.572 5.987 1.00 0.00 H new ATOM 0 HA ARG A 35 0.712 14.037 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.727 12.748 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.495 14.257 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.466 13.997 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.882 14.188 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.025 16.039 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.463 16.336 7.312 1.00 0.00 H new ATOM 0 HE ARG A 35 0.818 15.897 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.702 18.252 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.001 19.641 7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.717 17.685 10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.365 19.321 9.536 1.00 0.00 H new ATOM 495 N ARG A 36 3.030 13.003 5.164 1.00 0.00 N ATOM 496 CA ARG A 36 4.294 12.326 4.902 1.00 0.00 C ATOM 497 C ARG A 36 4.760 11.551 6.130 1.00 0.00 C ATOM 498 O ARG A 36 5.136 12.140 7.143 1.00 0.00 O ATOM 499 CB ARG A 36 5.363 13.338 4.488 1.00 0.00 C ATOM 500 CG ARG A 36 6.726 12.715 4.234 1.00 0.00 C ATOM 501 CD ARG A 36 7.535 13.532 3.238 1.00 0.00 C ATOM 502 NE ARG A 36 8.342 14.555 3.898 1.00 0.00 N ATOM 503 CZ ARG A 36 9.031 15.483 3.242 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.012 15.515 1.917 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.742 16.381 3.913 1.00 0.00 N ATOM 0 H ARG A 36 3.068 14.018 5.071 1.00 0.00 H new ATOM 0 HA ARG A 36 4.137 11.620 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.034 13.852 3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.458 14.093 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.273 12.639 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.599 11.701 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.186 12.868 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.860 14.006 2.525 1.00 0.00 H new ATOM 0 HE ARG A 36 8.379 14.557 4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.467 14.826 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.542 16.229 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.760 16.359 4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.271 17.093 3.409 1.00 0.00 H new ATOM 519 N GLY A 37 4.733 10.225 6.033 1.00 0.00 N ATOM 520 CA GLY A 37 5.155 9.391 7.143 1.00 0.00 C ATOM 521 C GLY A 37 4.008 9.030 8.066 1.00 0.00 C ATOM 522 O GLY A 37 4.188 8.925 9.278 1.00 0.00 O ATOM 0 H GLY A 37 4.426 9.714 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.607 8.478 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.925 9.911 7.712 1.00 0.00 H new ATOM 526 N GLU A 38 2.825 8.840 7.490 1.00 0.00 N ATOM 527 CA GLU A 38 1.643 8.491 8.270 1.00 0.00 C ATOM 528 C GLU A 38 0.962 7.250 7.701 1.00 0.00 C ATOM 529 O GLU A 38 0.869 7.082 6.485 1.00 0.00 O ATOM 530 CB GLU A 38 0.658 9.661 8.296 1.00 0.00 C ATOM 531 CG GLU A 38 0.880 10.619 9.454 1.00 0.00 C ATOM 532 CD GLU A 38 0.562 9.994 10.798 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.362 9.156 10.859 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.237 10.343 11.789 1.00 0.00 O ATOM 0 H GLU A 38 2.660 8.922 6.487 1.00 0.00 H new ATOM 0 HA GLU A 38 1.963 8.273 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.737 10.212 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.358 9.269 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.917 10.954 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.259 11.504 9.313 1.00 0.00 H new ATOM 541 N PHE A 39 0.488 6.382 8.589 1.00 0.00 N ATOM 542 CA PHE A 39 -0.183 5.155 8.176 1.00 0.00 C ATOM 543 C PHE A 39 -1.661 5.412 7.894 1.00 0.00 C ATOM 544 O PHE A 39 -2.269 6.307 8.483 1.00 0.00 O ATOM 545 CB PHE A 39 -0.037 4.081 9.255 1.00 0.00 C ATOM 546 CG PHE A 39 1.329 3.459 9.301 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.741 2.586 8.306 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.202 3.747 10.338 1.00 0.00 C ATOM 549 CE1 PHE A 39 2.997 2.012 8.346 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.460 3.176 10.383 1.00 0.00 C ATOM 551 CZ PHE A 39 3.858 2.308 9.385 1.00 0.00 C ATOM 0 H PHE A 39 0.556 6.506 9.599 1.00 0.00 H new ATOM 0 HA PHE A 39 0.288 4.804 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.260 4.521 10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.777 3.300 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.073 2.352 7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.896 4.426 11.120 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.306 1.332 7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.131 3.408 11.197 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.841 1.861 9.417 1.00 0.00 H new ATOM 561 N CYS A 40 -2.231 4.623 6.991 1.00 0.00 N ATOM 562 CA CYS A 40 -3.637 4.765 6.630 1.00 0.00 C ATOM 563 C CYS A 40 -4.065 3.661 5.668 1.00 0.00 C ATOM 564 O CYS A 40 -3.232 2.913 5.155 1.00 0.00 O ATOM 565 CB CYS A 40 -3.887 6.134 5.997 1.00 0.00 C ATOM 566 SG CYS A 40 -2.813 6.504 4.590 1.00 0.00 S ATOM 0 H CYS A 40 -1.741 3.878 6.495 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.231 4.680 7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.926 6.188 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.751 6.904 6.757 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.236 7.578 3.992 1.00 0.00 H new ATOM 572 N ILE A 41 -5.369 3.564 5.430 1.00 0.00 N ATOM 573 CA ILE A 41 -5.907 2.552 4.530 1.00 0.00 C ATOM 574 C ILE A 41 -6.139 3.122 3.135 1.00 0.00 C ATOM 575 O ILE A 41 -6.709 4.202 2.982 1.00 0.00 O ATOM 576 CB ILE A 41 -7.231 1.973 5.062 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.270 3.084 5.225 1.00 0.00 C ATOM 578 CG2 ILE A 41 -7.003 1.256 6.385 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.637 2.579 5.631 1.00 0.00 C ATOM 0 H ILE A 41 -6.072 4.174 5.848 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.166 1.754 4.475 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.610 1.250 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.917 3.793 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.357 3.629 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.948 0.852 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.293 0.442 6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.604 1.959 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.322 3.421 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.011 1.892 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.564 2.059 6.586 1.00 0.00 H new ATOM 591 N ALA A 42 -5.694 2.389 2.120 1.00 0.00 N ATOM 592 CA ALA A 42 -5.857 2.820 0.737 1.00 0.00 C ATOM 593 C ALA A 42 -6.806 1.896 -0.018 1.00 0.00 C ATOM 594 O ALA A 42 -6.889 0.702 0.272 1.00 0.00 O ATOM 595 CB ALA A 42 -4.506 2.876 0.040 1.00 0.00 C ATOM 0 H ALA A 42 -5.218 1.494 2.229 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.293 3.819 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.642 3.199 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.858 3.582 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.049 1.887 0.053 1.00 0.00 H new ATOM 601 N LYS A 43 -7.522 2.455 -0.988 1.00 0.00 N ATOM 602 CA LYS A 43 -8.466 1.682 -1.786 1.00 0.00 C ATOM 603 C LYS A 43 -7.796 1.137 -3.044 1.00 0.00 C ATOM 604 O LYS A 43 -7.199 1.888 -3.816 1.00 0.00 O ATOM 605 CB LYS A 43 -9.669 2.546 -2.170 1.00 0.00 C ATOM 606 CG LYS A 43 -10.958 1.758 -2.329 1.00 0.00 C ATOM 607 CD LYS A 43 -12.172 2.672 -2.342 1.00 0.00 C ATOM 608 CE LYS A 43 -13.424 1.942 -1.882 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.661 2.558 -2.436 1.00 0.00 N ATOM 0 H LYS A 43 -7.466 3.442 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.809 0.841 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.813 3.312 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.451 3.063 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.923 1.185 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.050 1.041 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.990 3.529 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.325 3.061 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.369 0.898 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.470 1.951 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.492 2.031 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.727 3.547 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.629 2.526 -3.475 1.00 0.00 H new ATOM 623 N PHE A 44 -7.901 -0.172 -3.245 1.00 0.00 N ATOM 624 CA PHE A 44 -7.306 -0.817 -4.410 1.00 0.00 C ATOM 625 C PHE A 44 -8.245 -0.745 -5.610 1.00 0.00 C ATOM 626 O PHE A 44 -9.460 -0.620 -5.455 1.00 0.00 O ATOM 627 CB PHE A 44 -6.972 -2.277 -4.096 1.00 0.00 C ATOM 628 CG PHE A 44 -5.899 -2.849 -4.977 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.676 -2.211 -5.105 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.113 -4.026 -5.677 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.687 -2.735 -5.916 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.127 -4.555 -6.489 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.913 -3.909 -6.608 1.00 0.00 C ATOM 0 H PHE A 44 -8.393 -0.807 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.387 -0.287 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.656 -2.353 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.875 -2.878 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.493 -1.294 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.061 -4.536 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.738 -2.227 -6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.306 -5.473 -7.030 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.141 -4.321 -7.241 1.00 0.00 H new ATOM 643 N VAL A 45 -7.673 -0.824 -6.807 1.00 0.00 N ATOM 644 CA VAL A 45 -8.458 -0.769 -8.035 1.00 0.00 C ATOM 645 C VAL A 45 -9.686 -1.667 -7.943 1.00 0.00 C ATOM 646 O VAL A 45 -10.693 -1.428 -8.610 1.00 0.00 O ATOM 647 CB VAL A 45 -7.619 -1.189 -9.256 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.427 -0.260 -9.431 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.163 -2.634 -9.118 1.00 0.00 C ATOM 0 H VAL A 45 -6.669 -0.926 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.777 0.266 -8.161 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.243 -1.112 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.846 -0.573 -10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.780 0.761 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.800 -0.301 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.571 -2.914 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.556 -2.740 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.034 -3.285 -9.047 1.00 0.00 H new ATOM 659 N ASP A 46 -9.597 -2.699 -7.112 1.00 0.00 N ATOM 660 CA ASP A 46 -10.702 -3.633 -6.931 1.00 0.00 C ATOM 661 C ASP A 46 -11.564 -3.230 -5.739 1.00 0.00 C ATOM 662 O ASP A 46 -12.193 -4.073 -5.100 1.00 0.00 O ATOM 663 CB ASP A 46 -10.170 -5.054 -6.734 1.00 0.00 C ATOM 664 CG ASP A 46 -9.920 -5.766 -8.048 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.884 -5.934 -8.824 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.760 -6.155 -8.301 1.00 0.00 O ATOM 0 H ASP A 46 -8.771 -2.910 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.319 -3.606 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.242 -5.016 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.884 -5.628 -6.144 1.00 0.00 H new ATOM 671 N GLY A 47 -11.588 -1.933 -5.444 1.00 0.00 N ATOM 672 CA GLY A 47 -12.375 -1.441 -4.328 1.00 0.00 C ATOM 673 C GLY A 47 -12.057 -2.159 -3.032 1.00 0.00 C ATOM 674 O GLY A 47 -12.923 -2.311 -2.171 1.00 0.00 O ATOM 0 H GLY A 47 -11.077 -1.215 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.193 -0.374 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.435 -1.559 -4.555 1.00 0.00 H new ATOM 678 N GLU A 48 -10.812 -2.603 -2.894 1.00 0.00 N ATOM 679 CA GLU A 48 -10.383 -3.312 -1.693 1.00 0.00 C ATOM 680 C GLU A 48 -9.440 -2.449 -0.860 1.00 0.00 C ATOM 681 O GLU A 48 -8.396 -2.008 -1.341 1.00 0.00 O ATOM 682 CB GLU A 48 -9.693 -4.625 -2.069 1.00 0.00 C ATOM 683 CG GLU A 48 -10.651 -5.699 -2.555 1.00 0.00 C ATOM 684 CD GLU A 48 -9.989 -6.691 -3.491 1.00 0.00 C ATOM 685 OE1 GLU A 48 -8.969 -6.330 -4.114 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.492 -7.829 -3.601 1.00 0.00 O ATOM 0 H GLU A 48 -10.083 -2.485 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.268 -3.533 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.956 -4.428 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.149 -5.001 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.059 -6.232 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.490 -5.228 -3.066 1.00 0.00 H new ATOM 693 N TRP A 49 -9.816 -2.212 0.392 1.00 0.00 N ATOM 694 CA TRP A 49 -9.005 -1.402 1.293 1.00 0.00 C ATOM 695 C TRP A 49 -7.823 -2.201 1.829 1.00 0.00 C ATOM 696 O TRP A 49 -7.957 -3.380 2.160 1.00 0.00 O ATOM 697 CB TRP A 49 -9.856 -0.886 2.454 1.00 0.00 C ATOM 698 CG TRP A 49 -10.841 0.168 2.047 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.139 -0.025 1.668 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.606 1.579 1.976 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.725 1.180 1.366 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.806 2.180 1.547 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.500 2.393 2.234 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.927 3.555 1.371 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.622 3.758 2.059 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.829 4.328 1.632 1.00 0.00 C ATOM 0 H TRP A 49 -10.677 -2.569 0.806 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.619 -0.553 0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.394 -1.722 2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.200 -0.481 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.632 -0.984 1.614 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.688 1.309 1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.566 1.963 2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.855 3.996 1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.773 4.396 2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.894 5.399 1.507 1.00 0.00 H new ATOM 717 N TYR A 50 -6.666 -1.554 1.913 1.00 0.00 N ATOM 718 CA TYR A 50 -5.459 -2.207 2.407 1.00 0.00 C ATOM 719 C TYR A 50 -4.591 -1.226 3.189 1.00 0.00 C ATOM 720 O TYR A 50 -4.665 -0.015 2.985 1.00 0.00 O ATOM 721 CB TYR A 50 -4.660 -2.797 1.244 1.00 0.00 C ATOM 722 CG TYR A 50 -5.403 -3.872 0.482 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.608 -5.129 1.037 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.902 -3.628 -0.792 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.285 -6.113 0.344 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.582 -4.607 -1.491 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.771 -5.848 -0.919 1.00 0.00 C ATOM 728 OH TYR A 50 -7.448 -6.825 -1.612 1.00 0.00 O ATOM 0 H TYR A 50 -6.538 -0.578 1.646 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.760 -3.012 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.391 -1.996 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.729 -3.213 1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.232 -5.340 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.756 -2.658 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.433 -7.086 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.964 -4.402 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.612 -6.521 -2.529 1.00 0.00 H new ATOM 738 N ARG A 51 -3.767 -1.760 4.085 1.00 0.00 N ATOM 739 CA ARG A 51 -2.884 -0.933 4.899 1.00 0.00 C ATOM 740 C ARG A 51 -1.736 -0.377 4.062 1.00 0.00 C ATOM 741 O ARG A 51 -1.128 -1.095 3.269 1.00 0.00 O ATOM 742 CB ARG A 51 -2.329 -1.744 6.071 1.00 0.00 C ATOM 743 CG ARG A 51 -3.221 -1.725 7.302 1.00 0.00 C ATOM 744 CD ARG A 51 -2.416 -1.929 8.576 1.00 0.00 C ATOM 745 NE ARG A 51 -2.301 -3.340 8.932 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.363 -4.146 8.447 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.463 -3.682 7.591 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.323 -5.420 8.818 1.00 0.00 N ATOM 0 H ARG A 51 -3.693 -2.761 4.266 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.465 -0.097 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.186 -2.776 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.347 -1.354 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.751 -0.774 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.976 -2.507 7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.420 -1.506 8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.889 -1.386 9.394 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.978 -3.728 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.490 -2.704 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.256 -4.303 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.013 -5.781 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.602 -6.038 8.445 1.00 0.00 H new ATOM 762 N ALA A 52 -1.446 0.907 4.245 1.00 0.00 N ATOM 763 CA ALA A 52 -0.370 1.559 3.508 1.00 0.00 C ATOM 764 C ALA A 52 0.174 2.758 4.278 1.00 0.00 C ATOM 765 O ALA A 52 -0.554 3.408 5.028 1.00 0.00 O ATOM 766 CB ALA A 52 -0.858 1.990 2.133 1.00 0.00 C ATOM 0 H ALA A 52 -1.941 1.516 4.897 1.00 0.00 H new ATOM 0 HA ALA A 52 0.441 0.841 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.044 2.475 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.192 1.115 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.687 2.689 2.244 1.00 0.00 H new ATOM 772 N ARG A 53 1.458 3.045 4.087 1.00 0.00 N ATOM 773 CA ARG A 53 2.099 4.165 4.766 1.00 0.00 C ATOM 774 C ARG A 53 2.452 5.270 3.775 1.00 0.00 C ATOM 775 O ARG A 53 3.167 5.039 2.800 1.00 0.00 O ATOM 776 CB ARG A 53 3.361 3.694 5.491 1.00 0.00 C ATOM 777 CG ARG A 53 4.035 4.783 6.310 1.00 0.00 C ATOM 778 CD ARG A 53 5.207 4.234 7.108 1.00 0.00 C ATOM 779 NE ARG A 53 5.530 5.078 8.256 1.00 0.00 N ATOM 780 CZ ARG A 53 6.504 4.807 9.117 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.248 3.720 8.961 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.737 5.623 10.136 1.00 0.00 N ATOM 0 H ARG A 53 2.074 2.518 3.468 1.00 0.00 H new ATOM 0 HA ARG A 53 1.396 4.566 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.104 2.863 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.070 3.312 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.384 5.575 5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.309 5.231 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.971 3.227 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.080 4.153 6.461 1.00 0.00 H new ATOM 0 HE ARG A 53 4.977 5.922 8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.073 3.090 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.996 3.514 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.168 6.460 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.486 5.413 10.796 1.00 0.00 H new ATOM 796 N VAL A 54 1.945 6.472 4.032 1.00 0.00 N ATOM 797 CA VAL A 54 2.207 7.614 3.164 1.00 0.00 C ATOM 798 C VAL A 54 3.704 7.814 2.956 1.00 0.00 C ATOM 799 O VAL A 54 4.453 8.006 3.914 1.00 0.00 O ATOM 800 CB VAL A 54 1.602 8.907 3.740 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.888 10.086 2.822 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.106 8.743 3.960 1.00 0.00 C ATOM 0 H VAL A 54 1.351 6.680 4.834 1.00 0.00 H new ATOM 0 HA VAL A 54 1.736 7.398 2.205 1.00 0.00 H new ATOM 0 HB VAL A 54 2.068 9.107 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.453 10.991 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.966 10.215 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.451 9.898 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.305 9.667 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.379 8.518 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.071 7.927 4.660 1.00 0.00 H new ATOM 812 N GLU A 55 4.133 7.769 1.699 1.00 0.00 N ATOM 813 CA GLU A 55 5.542 7.946 1.366 1.00 0.00 C ATOM 814 C GLU A 55 5.823 9.383 0.937 1.00 0.00 C ATOM 815 O GLU A 55 6.819 9.982 1.345 1.00 0.00 O ATOM 816 CB GLU A 55 5.951 6.980 0.253 1.00 0.00 C ATOM 817 CG GLU A 55 5.768 5.516 0.619 1.00 0.00 C ATOM 818 CD GLU A 55 6.205 4.578 -0.490 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.533 4.549 -1.542 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.219 3.874 -0.305 1.00 0.00 O ATOM 0 H GLU A 55 3.526 7.612 0.895 1.00 0.00 H new ATOM 0 HA GLU A 55 6.130 7.730 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.365 7.199 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.996 7.154 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.339 5.297 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.719 5.332 0.853 1.00 0.00 H new ATOM 827 N LYS A 56 4.940 9.930 0.109 1.00 0.00 N ATOM 828 CA LYS A 56 5.090 11.297 -0.377 1.00 0.00 C ATOM 829 C LYS A 56 3.744 11.875 -0.802 1.00 0.00 C ATOM 830 O LYS A 56 3.128 11.402 -1.757 1.00 0.00 O ATOM 831 CB LYS A 56 6.068 11.337 -1.553 1.00 0.00 C ATOM 832 CG LYS A 56 5.766 12.434 -2.559 1.00 0.00 C ATOM 833 CD LYS A 56 6.916 12.632 -3.531 1.00 0.00 C ATOM 834 CE LYS A 56 6.438 13.228 -4.846 1.00 0.00 C ATOM 835 NZ LYS A 56 7.419 13.007 -5.945 1.00 0.00 N ATOM 0 H LYS A 56 4.112 9.447 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 56 5.485 11.904 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.079 11.476 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.050 10.374 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.861 12.183 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.569 13.368 -2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.663 13.287 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.403 11.675 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.481 12.784 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.269 14.297 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.056 13.428 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.325 13.452 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.561 11.986 -6.083 1.00 0.00 H new ATOM 849 N VAL A 57 3.294 12.901 -0.087 1.00 0.00 N ATOM 850 CA VAL A 57 2.022 13.545 -0.392 1.00 0.00 C ATOM 851 C VAL A 57 2.213 14.709 -1.358 1.00 0.00 C ATOM 852 O VAL A 57 2.690 15.776 -0.974 1.00 0.00 O ATOM 853 CB VAL A 57 1.333 14.061 0.886 1.00 0.00 C ATOM 854 CG1 VAL A 57 -0.048 14.610 0.564 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.248 12.956 1.928 1.00 0.00 C ATOM 0 H VAL A 57 3.791 13.304 0.707 1.00 0.00 H new ATOM 0 HA VAL A 57 1.389 12.790 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 57 1.932 14.873 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.519 14.970 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.044 15.433 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.660 13.821 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.759 13.338 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.672 12.122 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.252 12.616 2.180 1.00 0.00 H new ATOM 865 N GLU A 58 1.836 14.495 -2.615 1.00 0.00 N ATOM 866 CA GLU A 58 1.967 15.526 -3.637 1.00 0.00 C ATOM 867 C GLU A 58 0.783 16.489 -3.593 1.00 0.00 C ATOM 868 O GLU A 58 0.942 17.672 -3.295 1.00 0.00 O ATOM 869 CB GLU A 58 2.070 14.891 -5.025 1.00 0.00 C ATOM 870 CG GLU A 58 3.496 14.587 -5.451 1.00 0.00 C ATOM 871 CD GLU A 58 4.300 15.841 -5.735 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.833 16.434 -4.774 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.396 16.229 -6.918 1.00 0.00 O ATOM 0 H GLU A 58 1.438 13.617 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 58 2.879 16.088 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.492 13.967 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.616 15.560 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.991 14.012 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.479 13.961 -6.343 1.00 0.00 H new ATOM 880 N SER A 59 -0.404 15.972 -3.893 1.00 0.00 N ATOM 881 CA SER A 59 -1.614 16.785 -3.893 1.00 0.00 C ATOM 882 C SER A 59 -2.832 15.946 -3.518 1.00 0.00 C ATOM 883 O SER A 59 -2.814 14.716 -3.579 1.00 0.00 O ATOM 884 CB SER A 59 -1.825 17.425 -5.266 1.00 0.00 C ATOM 885 OG SER A 59 -0.950 18.524 -5.456 1.00 0.00 O ATOM 0 H SER A 59 -0.553 14.994 -4.139 1.00 0.00 H new ATOM 0 HA SER A 59 -1.493 17.572 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.657 16.683 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.858 17.758 -5.361 1.00 0.00 H new ATOM 0 HG SER A 59 -0.278 18.534 -4.743 1.00 0.00 H new ATOM 891 N PRO A 60 -3.919 16.625 -3.121 1.00 0.00 N ATOM 892 CA PRO A 60 -5.167 15.964 -2.729 1.00 0.00 C ATOM 893 C PRO A 60 -5.603 14.905 -3.736 1.00 0.00 C ATOM 894 O PRO A 60 -6.440 14.056 -3.435 1.00 0.00 O ATOM 895 CB PRO A 60 -6.179 17.111 -2.688 1.00 0.00 C ATOM 896 CG PRO A 60 -5.361 18.328 -2.419 1.00 0.00 C ATOM 897 CD PRO A 60 -4.012 18.092 -3.025 1.00 0.00 C ATOM 0 HA PRO A 60 -5.066 15.432 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.718 17.197 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.924 16.954 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.830 19.211 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.276 18.506 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.926 18.563 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.217 18.503 -2.403 1.00 0.00 H new ATOM 905 N ALA A 61 -5.028 14.961 -4.933 1.00 0.00 N ATOM 906 CA ALA A 61 -5.356 14.005 -5.984 1.00 0.00 C ATOM 907 C ALA A 61 -4.231 12.994 -6.176 1.00 0.00 C ATOM 908 O ALA A 61 -4.444 11.909 -6.717 1.00 0.00 O ATOM 909 CB ALA A 61 -5.642 14.733 -7.289 1.00 0.00 C ATOM 0 H ALA A 61 -4.333 15.658 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.251 13.461 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.885 14.007 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.484 15.412 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.762 15.303 -7.588 1.00 0.00 H new ATOM 915 N LYS A 62 -3.033 13.356 -5.729 1.00 0.00 N ATOM 916 CA LYS A 62 -1.874 12.480 -5.850 1.00 0.00 C ATOM 917 C LYS A 62 -1.205 12.272 -4.496 1.00 0.00 C ATOM 918 O LYS A 62 -0.655 13.209 -3.914 1.00 0.00 O ATOM 919 CB LYS A 62 -0.868 13.066 -6.844 1.00 0.00 C ATOM 920 CG LYS A 62 -1.366 13.076 -8.279 1.00 0.00 C ATOM 921 CD LYS A 62 -0.220 12.938 -9.267 1.00 0.00 C ATOM 922 CE LYS A 62 -0.699 12.391 -10.603 1.00 0.00 C ATOM 923 NZ LYS A 62 0.434 11.926 -11.450 1.00 0.00 N ATOM 0 H LYS A 62 -2.840 14.251 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.218 11.513 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.627 14.086 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.057 12.492 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.074 12.260 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.904 14.004 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.251 13.910 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.541 12.276 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.387 11.564 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.256 13.164 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.066 11.561 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.078 12.721 -11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.950 11.171 -10.955 1.00 0.00 H new ATOM 937 N ILE A 63 -1.253 11.041 -3.999 1.00 0.00 N ATOM 938 CA ILE A 63 -0.649 10.711 -2.715 1.00 0.00 C ATOM 939 C ILE A 63 0.184 9.437 -2.810 1.00 0.00 C ATOM 940 O ILE A 63 -0.355 8.337 -2.930 1.00 0.00 O ATOM 941 CB ILE A 63 -1.717 10.532 -1.620 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.817 11.584 -1.773 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.081 10.619 -0.240 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.414 12.956 -1.278 1.00 0.00 C ATOM 0 H ILE A 63 -1.705 10.255 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.002 11.546 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.167 9.545 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.098 11.654 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.702 11.255 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.849 10.491 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.330 9.836 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.608 11.593 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.242 13.651 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.161 12.901 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.548 13.306 -1.840 1.00 0.00 H new ATOM 956 N HIS A 64 1.503 9.593 -2.753 1.00 0.00 N ATOM 957 CA HIS A 64 2.412 8.455 -2.831 1.00 0.00 C ATOM 958 C HIS A 64 2.349 7.622 -1.554 1.00 0.00 C ATOM 959 O HIS A 64 2.534 8.140 -0.453 1.00 0.00 O ATOM 960 CB HIS A 64 3.844 8.934 -3.071 1.00 0.00 C ATOM 961 CG HIS A 64 3.997 9.771 -4.303 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.882 9.465 -5.315 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.370 10.908 -4.685 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.795 10.379 -6.265 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.883 11.265 -5.908 1.00 0.00 N ATOM 0 H HIS A 64 1.966 10.496 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 64 2.101 7.830 -3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.175 9.510 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.500 8.067 -3.147 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.507 8.659 -5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.608 11.436 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.372 10.398 -7.178 1.00 0.00 H new ATOM 973 N VAL A 65 2.085 6.328 -1.709 1.00 0.00 N ATOM 974 CA VAL A 65 1.998 5.424 -0.570 1.00 0.00 C ATOM 975 C VAL A 65 2.596 4.061 -0.902 1.00 0.00 C ATOM 976 O VAL A 65 2.927 3.781 -2.055 1.00 0.00 O ATOM 977 CB VAL A 65 0.539 5.234 -0.114 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.051 6.461 0.641 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.358 4.942 -1.308 1.00 0.00 C ATOM 0 H VAL A 65 1.928 5.883 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 65 2.568 5.880 0.239 1.00 0.00 H new ATOM 0 HB VAL A 65 0.496 4.380 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.982 6.308 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.677 6.621 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.107 7.334 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.385 4.810 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.312 5.775 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.020 4.031 -1.803 1.00 0.00 H new ATOM 989 N PHE A 66 2.732 3.217 0.115 1.00 0.00 N ATOM 990 CA PHE A 66 3.291 1.883 -0.069 1.00 0.00 C ATOM 991 C PHE A 66 2.534 0.856 0.768 1.00 0.00 C ATOM 992 O PHE A 66 2.477 0.958 1.994 1.00 0.00 O ATOM 993 CB PHE A 66 4.774 1.872 0.308 1.00 0.00 C ATOM 994 CG PHE A 66 5.321 0.494 0.547 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.849 -0.248 -0.498 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.309 -0.060 1.817 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.353 -1.516 -0.280 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.812 -1.328 2.041 1.00 0.00 C ATOM 999 CZ PHE A 66 6.335 -2.057 0.991 1.00 0.00 C ATOM 0 H PHE A 66 2.463 3.433 1.075 1.00 0.00 H new ATOM 0 HA PHE A 66 3.189 1.615 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.347 2.349 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.917 2.472 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.867 0.170 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.902 0.506 2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.761 -2.084 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.796 -1.748 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.729 -3.048 1.163 1.00 0.00 H new ATOM 1009 N TYR A 67 1.955 -0.134 0.097 1.00 0.00 N ATOM 1010 CA TYR A 67 1.198 -1.178 0.778 1.00 0.00 C ATOM 1011 C TYR A 67 2.111 -2.024 1.661 1.00 0.00 C ATOM 1012 O TYR A 67 2.948 -2.778 1.165 1.00 0.00 O ATOM 1013 CB TYR A 67 0.488 -2.070 -0.242 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.602 -1.359 -1.012 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.292 -0.458 -2.023 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.943 -1.590 -0.729 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.285 0.194 -2.728 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.942 -0.944 -1.430 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.609 -0.053 -2.428 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.601 0.594 -3.129 1.00 0.00 O ATOM 0 H TYR A 67 1.995 -0.235 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 67 0.453 -0.697 1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.224 -2.460 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.056 -2.927 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.743 -0.264 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.208 -2.287 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.027 0.893 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.979 -1.136 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.477 0.308 -2.796 1.00 0.00 H new ATOM 1030 N ILE A 68 1.941 -1.893 2.972 1.00 0.00 N ATOM 1031 CA ILE A 68 2.748 -2.645 3.926 1.00 0.00 C ATOM 1032 C ILE A 68 2.185 -4.047 4.136 1.00 0.00 C ATOM 1033 O ILE A 68 2.464 -4.694 5.145 1.00 0.00 O ATOM 1034 CB ILE A 68 2.828 -1.927 5.286 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.509 -2.080 6.046 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.165 -0.457 5.089 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.546 -1.497 7.442 1.00 0.00 C ATOM 0 H ILE A 68 1.252 -1.273 3.398 1.00 0.00 H new ATOM 0 HA ILE A 68 3.750 -2.717 3.504 1.00 0.00 H new ATOM 0 HB ILE A 68 3.621 -2.385 5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.714 -1.595 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.256 -3.138 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.218 0.037 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.127 -0.369 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.392 0.015 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.578 -1.641 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.319 -1.998 8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.768 -0.431 7.385 1.00 0.00 H new ATOM 1049 N ASP A 69 1.392 -4.510 3.176 1.00 0.00 N ATOM 1050 CA ASP A 69 0.791 -5.836 3.254 1.00 0.00 C ATOM 1051 C ASP A 69 1.340 -6.747 2.160 1.00 0.00 C ATOM 1052 O ASP A 69 1.550 -7.940 2.379 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.731 -5.738 3.136 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.302 -4.594 3.950 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.361 -4.720 5.191 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.691 -3.572 3.346 1.00 0.00 O ATOM 0 H ASP A 69 1.150 -3.986 2.335 1.00 0.00 H new ATOM 0 HA ASP A 69 1.046 -6.266 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.004 -5.607 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.179 -6.675 3.467 1.00 0.00 H new ATOM 1061 N TYR A 70 1.571 -6.176 0.983 1.00 0.00 N ATOM 1062 CA TYR A 70 2.092 -6.936 -0.146 1.00 0.00 C ATOM 1063 C TYR A 70 3.511 -6.494 -0.493 1.00 0.00 C ATOM 1064 O TYR A 70 4.386 -7.320 -0.748 1.00 0.00 O ATOM 1065 CB TYR A 70 1.182 -6.769 -1.365 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.244 -7.207 -1.120 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.097 -6.452 -0.324 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.739 -8.376 -1.685 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.400 -6.849 -0.097 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.042 -8.780 -1.465 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.868 -8.014 -0.670 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.166 -8.412 -0.447 1.00 0.00 O ATOM 0 H TYR A 70 1.405 -5.189 0.786 1.00 0.00 H new ATOM 0 HA TYR A 70 2.118 -7.988 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.185 -5.722 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.592 -7.343 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.735 -5.539 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.094 -8.979 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.049 -6.251 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.411 -9.691 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.709 -7.634 -0.199 1.00 0.00 H new ATOM 1082 N GLY A 71 3.730 -5.182 -0.498 1.00 0.00 N ATOM 1083 CA GLY A 71 5.043 -4.651 -0.813 1.00 0.00 C ATOM 1084 C GLY A 71 5.078 -3.950 -2.156 1.00 0.00 C ATOM 1085 O GLY A 71 5.996 -4.155 -2.948 1.00 0.00 O ATOM 0 H GLY A 71 3.022 -4.478 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.345 -3.951 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.770 -5.463 -0.812 1.00 0.00 H new ATOM 1089 N ASN A 72 4.072 -3.119 -2.414 1.00 0.00 N ATOM 1090 CA ASN A 72 3.990 -2.386 -3.672 1.00 0.00 C ATOM 1091 C ASN A 72 3.623 -0.926 -3.428 1.00 0.00 C ATOM 1092 O ASN A 72 2.954 -0.599 -2.448 1.00 0.00 O ATOM 1093 CB ASN A 72 2.959 -3.035 -4.598 1.00 0.00 C ATOM 1094 CG ASN A 72 1.561 -3.014 -4.012 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.228 -3.821 -3.144 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.735 -2.088 -4.485 1.00 0.00 N ATOM 0 H ASN A 72 3.303 -2.937 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 72 4.970 -2.421 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.956 -2.514 -5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.251 -4.066 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.219 -2.025 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.054 -1.440 -5.205 1.00 0.00 H new ATOM 1103 N ARG A 73 4.065 -0.052 -4.327 1.00 0.00 N ATOM 1104 CA ARG A 73 3.783 1.374 -4.209 1.00 0.00 C ATOM 1105 C ARG A 73 2.797 1.823 -5.283 1.00 0.00 C ATOM 1106 O ARG A 73 2.789 1.293 -6.393 1.00 0.00 O ATOM 1107 CB ARG A 73 5.077 2.182 -4.320 1.00 0.00 C ATOM 1108 CG ARG A 73 6.178 1.699 -3.389 1.00 0.00 C ATOM 1109 CD ARG A 73 7.537 2.241 -3.805 1.00 0.00 C ATOM 1110 NE ARG A 73 8.455 2.343 -2.674 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.756 2.576 -2.803 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.289 2.732 -4.006 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.527 2.655 -1.725 1.00 0.00 N ATOM 0 H ARG A 73 4.619 -0.306 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 73 3.335 1.551 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.436 2.137 -5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.862 3.228 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.957 2.012 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.204 0.609 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.969 1.591 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.412 3.224 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 73 8.076 2.229 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.700 2.673 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.289 2.911 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.120 2.537 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.526 2.834 -1.825 1.00 0.00 H new ATOM 1127 N GLU A 74 1.967 2.805 -4.943 1.00 0.00 N ATOM 1128 CA GLU A 74 0.975 3.324 -5.878 1.00 0.00 C ATOM 1129 C GLU A 74 0.566 4.746 -5.503 1.00 0.00 C ATOM 1130 O GLU A 74 0.393 5.064 -4.326 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.257 2.417 -5.905 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.334 2.883 -6.871 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.989 2.586 -8.317 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.917 1.391 -8.676 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.790 3.546 -9.090 1.00 0.00 O ATOM 0 H GLU A 74 1.962 3.256 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 74 1.424 3.343 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.051 1.407 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.680 2.362 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.277 2.398 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.485 3.956 -6.750 1.00 0.00 H new ATOM 1142 N VAL A 75 0.414 5.597 -6.512 1.00 0.00 N ATOM 1143 CA VAL A 75 0.025 6.985 -6.290 1.00 0.00 C ATOM 1144 C VAL A 75 -1.488 7.151 -6.371 1.00 0.00 C ATOM 1145 O VAL A 75 -2.060 7.211 -7.460 1.00 0.00 O ATOM 1146 CB VAL A 75 0.689 7.925 -7.314 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.230 9.358 -7.099 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.204 7.823 -7.225 1.00 0.00 C ATOM 0 H VAL A 75 0.554 5.350 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 75 0.364 7.252 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 75 0.385 7.618 -8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.709 10.007 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.852 9.415 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.503 9.681 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.657 8.493 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.529 8.104 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.513 6.798 -7.433 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.132 7.224 -5.211 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.581 7.384 -5.150 1.00 0.00 C ATOM 1160 C LEU A 76 -3.956 8.689 -4.454 1.00 0.00 C ATOM 1161 O LEU A 76 -3.218 9.209 -3.617 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.214 6.201 -4.415 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.708 4.815 -4.815 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.825 3.847 -3.647 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.477 4.294 -6.020 1.00 0.00 C ATOM 0 H LEU A 76 -1.674 7.175 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.962 7.416 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.048 6.332 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.292 6.233 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.656 4.898 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.460 2.866 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.230 4.213 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.869 3.768 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.103 3.306 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.537 4.226 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.343 4.976 -6.860 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.131 9.231 -4.806 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.632 10.480 -4.225 1.00 0.00 C ATOM 1179 C PRO A 77 -6.032 10.320 -2.762 1.00 0.00 C ATOM 1180 O PRO A 77 -6.043 9.210 -2.230 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.859 10.803 -5.082 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.309 9.485 -5.611 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.062 8.666 -5.797 1.00 0.00 C ATOM 0 HA PRO A 77 -4.874 11.263 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.641 11.280 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.608 11.489 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.995 8.999 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.842 9.604 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.246 7.607 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.671 8.754 -6.811 1.00 0.00 H new ATOM 1191 N SER A 78 -6.361 11.435 -2.118 1.00 0.00 N ATOM 1192 CA SER A 78 -6.758 11.419 -0.715 1.00 0.00 C ATOM 1193 C SER A 78 -8.167 10.855 -0.556 1.00 0.00 C ATOM 1194 O SER A 78 -8.649 10.661 0.560 1.00 0.00 O ATOM 1195 CB SER A 78 -6.692 12.830 -0.127 1.00 0.00 C ATOM 1196 OG SER A 78 -6.864 12.805 1.279 1.00 0.00 O ATOM 0 H SER A 78 -6.361 12.361 -2.545 1.00 0.00 H new ATOM 0 HA SER A 78 -6.064 10.776 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.732 13.284 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.464 13.453 -0.580 1.00 0.00 H new ATOM 0 HG SER A 78 -7.503 12.101 1.518 1.00 0.00 H new ATOM 1202 N THR A 79 -8.823 10.593 -1.682 1.00 0.00 N ATOM 1203 CA THR A 79 -10.177 10.053 -1.670 1.00 0.00 C ATOM 1204 C THR A 79 -10.169 8.558 -1.373 1.00 0.00 C ATOM 1205 O THR A 79 -11.113 8.028 -0.787 1.00 0.00 O ATOM 1206 CB THR A 79 -10.890 10.294 -3.014 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.112 9.750 -4.086 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.115 11.780 -3.248 1.00 0.00 C ATOM 0 H THR A 79 -8.438 10.746 -2.614 1.00 0.00 H new ATOM 0 HA THR A 79 -10.719 10.575 -0.881 1.00 0.00 H new ATOM 0 HB THR A 79 -11.859 9.796 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.573 9.906 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.620 11.926 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.732 12.185 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.155 12.295 -3.263 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.099 7.884 -1.780 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.970 6.449 -1.557 1.00 0.00 C ATOM 1218 C ARG A 80 -8.290 6.165 -0.221 1.00 0.00 C ATOM 1219 O ARG A 80 -8.162 5.011 0.190 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.174 5.804 -2.694 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.267 6.562 -4.008 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.134 5.627 -5.200 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.801 6.156 -6.387 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.273 5.393 -7.366 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -9.152 4.074 -7.300 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.868 5.948 -8.414 1.00 0.00 N ATOM 0 H ARG A 80 -8.309 8.308 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.971 6.019 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.127 5.733 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.533 4.786 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.221 7.087 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.484 7.319 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.078 5.466 -5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.559 4.655 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.910 7.167 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.696 3.643 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.515 3.490 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.963 6.962 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.230 5.361 -9.165 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.854 7.224 0.452 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.186 7.090 1.742 1.00 0.00 C ATOM 1242 C LEU A 81 -8.144 7.403 2.886 1.00 0.00 C ATOM 1243 O LEU A 81 -8.924 8.353 2.815 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.972 8.018 1.809 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.899 7.798 0.742 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.910 8.953 0.734 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.179 6.478 0.975 1.00 0.00 C ATOM 0 H LEU A 81 -7.951 8.186 0.126 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.852 6.058 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.322 9.048 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.509 7.907 2.790 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.385 7.757 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.154 8.779 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.438 9.882 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.429 9.027 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.419 6.338 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.705 6.490 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.897 5.659 0.929 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.079 6.599 3.943 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.944 6.809 5.089 1.00 0.00 C ATOM 1261 C GLY A 82 -8.232 6.567 6.405 1.00 0.00 C ATOM 1262 O GLY A 82 -7.077 6.140 6.427 1.00 0.00 O ATOM 0 H GLY A 82 -7.443 5.806 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.327 7.829 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.805 6.144 5.017 1.00 0.00 H new ATOM 1266 N THR A 83 -8.921 6.842 7.509 1.00 0.00 N ATOM 1267 CA THR A 83 -8.347 6.654 8.835 1.00 0.00 C ATOM 1268 C THR A 83 -8.199 5.174 9.166 1.00 0.00 C ATOM 1269 O THR A 83 -9.189 4.450 9.276 1.00 0.00 O ATOM 1270 CB THR A 83 -9.208 7.328 9.920 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.657 8.609 9.464 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.421 7.491 11.212 1.00 0.00 C ATOM 0 H THR A 83 -9.878 7.196 7.510 1.00 0.00 H new ATOM 0 HA THR A 83 -7.362 7.120 8.822 1.00 0.00 H new ATOM 0 HB THR A 83 -10.070 6.690 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.205 9.030 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.050 7.969 11.963 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.106 6.512 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.542 8.109 11.027 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.957 4.729 9.324 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.679 3.333 9.644 1.00 0.00 C ATOM 1282 C LEU A 84 -7.031 3.027 11.096 1.00 0.00 C ATOM 1283 O LEU A 84 -6.342 3.463 12.018 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.205 3.014 9.386 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.687 1.707 9.985 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.415 0.517 9.380 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.185 1.580 9.772 1.00 0.00 C ATOM 0 H LEU A 84 -6.127 5.315 9.236 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.298 2.708 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.043 2.986 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.603 3.834 9.777 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.882 1.719 11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.033 -0.405 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.482 0.601 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.252 0.501 8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.834 0.643 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.967 1.590 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.677 2.415 10.254 1.00 0.00 H new ATOM 1299 N SER A 85 -8.108 2.272 11.291 1.00 0.00 N ATOM 1300 CA SER A 85 -8.553 1.907 12.631 1.00 0.00 C ATOM 1301 C SER A 85 -7.430 1.230 13.411 1.00 0.00 C ATOM 1302 O SER A 85 -6.613 0.493 12.859 1.00 0.00 O ATOM 1303 CB SER A 85 -9.767 0.979 12.554 1.00 0.00 C ATOM 1304 OG SER A 85 -10.141 0.521 13.841 1.00 0.00 O ATOM 0 H SER A 85 -8.688 1.901 10.538 1.00 0.00 H new ATOM 0 HA SER A 85 -8.836 2.821 13.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.603 1.506 12.095 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.537 0.127 11.914 1.00 0.00 H new ATOM 0 HG SER A 85 -10.920 -0.069 13.765 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.387 1.487 14.727 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.369 0.912 15.613 1.00 0.00 C ATOM 1312 C PRO A 86 -6.555 -0.588 15.811 1.00 0.00 C ATOM 1313 O PRO A 86 -5.637 -1.284 16.245 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.586 1.657 16.932 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.013 2.083 16.897 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.328 2.357 15.452 1.00 0.00 C ATOM 0 HA PRO A 86 -5.364 1.022 15.206 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.386 1.012 17.788 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.919 2.515 17.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.663 1.305 17.297 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.170 2.973 17.506 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.364 2.115 15.214 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.180 3.407 15.200 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.747 -1.081 15.491 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.051 -2.499 15.632 1.00 0.00 C ATOM 1326 C ALA A 87 -7.473 -3.302 14.472 1.00 0.00 C ATOM 1327 O ALA A 87 -7.084 -4.459 14.637 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.555 -2.710 15.725 1.00 0.00 C ATOM 0 H ALA A 87 -8.518 -0.518 15.132 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.588 -2.855 16.552 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.767 -3.774 15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.945 -2.175 16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.032 -2.332 14.821 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.420 -2.683 13.297 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.891 -3.341 12.109 1.00 0.00 C ATOM 1336 C PHE A 88 -5.468 -2.876 11.817 1.00 0.00 C ATOM 1337 O PHE A 88 -4.752 -3.489 11.025 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.789 -3.061 10.902 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.248 -3.287 11.175 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.691 -4.495 11.690 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.178 -2.293 10.916 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.034 -4.706 11.943 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.521 -2.498 11.167 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.950 -3.707 11.680 1.00 0.00 C ATOM 0 H PHE A 88 -7.737 -1.726 13.143 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.872 -4.414 12.298 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.643 -2.029 10.582 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.480 -3.698 10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.979 -5.281 11.896 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.849 -1.347 10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.366 -5.651 12.346 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.235 -1.714 10.962 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.000 -3.870 11.875 1.00 0.00 H new ATOM 1354 N SER A 89 -5.064 -1.786 12.463 1.00 0.00 N ATOM 1355 CA SER A 89 -3.728 -1.235 12.270 1.00 0.00 C ATOM 1356 C SER A 89 -2.664 -2.314 12.444 1.00 0.00 C ATOM 1357 O SER A 89 -2.792 -3.199 13.291 1.00 0.00 O ATOM 1358 CB SER A 89 -3.478 -0.092 13.257 1.00 0.00 C ATOM 1359 OG SER A 89 -3.840 -0.468 14.574 1.00 0.00 O ATOM 0 H SER A 89 -5.643 -1.268 13.124 1.00 0.00 H new ATOM 0 HA SER A 89 -3.665 -0.849 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.426 0.190 13.232 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.051 0.785 12.955 1.00 0.00 H new ATOM 0 HG SER A 89 -3.392 0.121 15.217 1.00 0.00 H new ATOM 1365 N THR A 90 -1.612 -2.236 11.635 1.00 0.00 N ATOM 1366 CA THR A 90 -0.526 -3.205 11.697 1.00 0.00 C ATOM 1367 C THR A 90 -0.121 -3.486 13.140 1.00 0.00 C ATOM 1368 O THR A 90 0.339 -4.581 13.463 1.00 0.00 O ATOM 1369 CB THR A 90 0.709 -2.717 10.916 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.766 -3.677 11.021 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.185 -1.371 11.442 1.00 0.00 C ATOM 0 H THR A 90 -1.490 -1.511 10.928 1.00 0.00 H new ATOM 0 HA THR A 90 -0.896 -4.123 11.240 1.00 0.00 H new ATOM 0 HB THR A 90 0.427 -2.601 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.411 -4.574 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.058 -1.047 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.388 -0.635 11.333 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.451 -1.465 12.495 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.297 -2.491 14.003 1.00 0.00 N ATOM 1380 CA ARG A 91 0.050 -2.632 15.412 1.00 0.00 C ATOM 1381 C ARG A 91 -0.294 -4.029 15.920 1.00 0.00 C ATOM 1382 O ARG A 91 0.363 -4.554 16.819 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.681 -1.580 16.247 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.537 -0.166 15.708 1.00 0.00 C ATOM 1385 CD ARG A 91 -1.002 0.867 16.722 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.544 2.212 16.383 1.00 0.00 N ATOM 1387 CZ ARG A 91 -1.051 3.318 16.916 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -2.027 3.239 17.810 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -0.581 4.505 16.557 1.00 0.00 N ATOM 0 H ARG A 91 -0.678 -1.579 13.751 1.00 0.00 H new ATOM 0 HA ARG A 91 1.125 -2.483 15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.739 -1.836 16.293 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.301 -1.611 17.268 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.505 0.021 15.448 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.117 -0.064 14.791 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.091 0.858 16.776 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.632 0.596 17.711 1.00 0.00 H new ATOM 0 HE ARG A 91 0.207 2.307 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.390 2.328 18.090 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.415 4.090 18.218 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.171 4.570 15.871 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.971 5.353 16.967 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.330 -4.626 15.339 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.762 -5.962 15.732 1.00 0.00 C ATOM 1405 C VAL A 92 -1.109 -7.029 14.860 1.00 0.00 C ATOM 1406 O VAL A 92 -0.745 -8.103 15.342 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.293 -6.106 15.641 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.742 -7.427 16.249 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.980 -4.934 16.325 1.00 0.00 C ATOM 0 H VAL A 92 -1.886 -4.205 14.594 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.452 -6.104 16.767 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.579 -6.101 14.589 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.826 -7.511 16.176 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.277 -8.252 15.710 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.445 -7.465 17.297 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.061 -5.052 16.251 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.689 -4.904 17.375 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.683 -4.004 15.840 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.963 -6.727 13.575 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.353 -7.660 12.634 1.00 0.00 C ATOM 1421 C LEU A 93 0.852 -7.028 11.944 1.00 0.00 C ATOM 1422 O LEU A 93 0.816 -5.876 11.510 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.377 -8.105 11.590 1.00 0.00 C ATOM 1424 CG LEU A 93 -1.038 -9.381 10.817 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -1.193 -10.602 11.709 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.917 -9.505 9.581 1.00 0.00 C ATOM 0 H LEU A 93 -1.259 -5.843 13.160 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.012 -8.531 13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.335 -8.250 12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.511 -7.295 10.873 1.00 0.00 H new ATOM 0 HG LEU A 93 0.001 -9.323 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.948 -11.500 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.521 -10.517 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.222 -10.666 12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.662 -10.418 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.964 -9.541 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.755 -8.645 8.932 1.00 0.00 H new ATOM 1438 N PRO A 94 1.945 -7.798 11.837 1.00 0.00 N ATOM 1439 CA PRO A 94 3.180 -7.335 11.198 1.00 0.00 C ATOM 1440 C PRO A 94 3.027 -7.174 9.690 1.00 0.00 C ATOM 1441 O PRO A 94 2.378 -7.987 9.032 1.00 0.00 O ATOM 1442 CB PRO A 94 4.183 -8.447 11.518 1.00 0.00 C ATOM 1443 CG PRO A 94 3.347 -9.663 11.726 1.00 0.00 C ATOM 1444 CD PRO A 94 2.059 -9.180 12.332 1.00 0.00 C ATOM 0 HA PRO A 94 3.482 -6.352 11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.891 -8.588 10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.766 -8.210 12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.166 -10.178 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.847 -10.372 12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.213 -9.791 12.017 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.089 -9.215 13.421 1.00 0.00 H new ATOM 1452 N ALA A 95 3.629 -6.120 9.148 1.00 0.00 N ATOM 1453 CA ALA A 95 3.561 -5.854 7.716 1.00 0.00 C ATOM 1454 C ALA A 95 4.132 -7.019 6.914 1.00 0.00 C ATOM 1455 O ALA A 95 5.316 -7.337 7.022 1.00 0.00 O ATOM 1456 CB ALA A 95 4.302 -4.568 7.383 1.00 0.00 C ATOM 0 H ALA A 95 4.169 -5.437 9.679 1.00 0.00 H new ATOM 0 HA ALA A 95 2.512 -5.738 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.243 -4.381 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.848 -3.736 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.347 -4.663 7.678 1.00 0.00 H new ATOM 1462 N GLN A 96 3.282 -7.650 6.110 1.00 0.00 N ATOM 1463 CA GLN A 96 3.703 -8.781 5.291 1.00 0.00 C ATOM 1464 C GLN A 96 4.381 -8.303 4.011 1.00 0.00 C ATOM 1465 O GLN A 96 4.770 -9.108 3.166 1.00 0.00 O ATOM 1466 CB GLN A 96 2.503 -9.664 4.947 1.00 0.00 C ATOM 1467 CG GLN A 96 1.734 -10.147 6.167 1.00 0.00 C ATOM 1468 CD GLN A 96 2.572 -11.022 7.077 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.296 -11.904 6.614 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.479 -10.783 8.380 1.00 0.00 N ATOM 0 H GLN A 96 2.299 -7.398 6.008 1.00 0.00 H new ATOM 0 HA GLN A 96 4.422 -9.365 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.827 -9.107 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.849 -10.528 4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.374 -9.285 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.856 -10.705 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.866 -10.042 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.020 -11.341 9.041 1.00 0.00 H new ATOM 1479 N ALA A 97 4.519 -6.988 3.876 1.00 0.00 N ATOM 1480 CA ALA A 97 5.151 -6.403 2.699 1.00 0.00 C ATOM 1481 C ALA A 97 6.571 -6.929 2.521 1.00 0.00 C ATOM 1482 O ALA A 97 7.244 -7.274 3.493 1.00 0.00 O ATOM 1483 CB ALA A 97 5.157 -4.885 2.803 1.00 0.00 C ATOM 0 H ALA A 97 4.202 -6.308 4.567 1.00 0.00 H new ATOM 0 HA ALA A 97 4.571 -6.694 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.632 -4.462 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.132 -4.521 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.712 -4.583 3.692 1.00 0.00 H new