USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 840 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 34 CYS SG : rot 179:sc= -0.352 USER MOD Set 1.2: A 37 CYS SG : rot 75:sc= -0.0723 USER MOD Set 2.1: A 30 TYR OH : rot -158:sc= 1.08 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00274 X(o=-0.0027,f=-0.37) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 16 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.9!) USER MOD Single : A 26 MET CE :methyl 152:sc= -0.0103 (180deg=-0.246) USER MOD Single : A 38 GLN : amide:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 39 ASN : amide:sc= 0.00661 X(o=0.0066,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.99) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.19 K(o=1.2,f=-0.00081) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 66 GLN : amide:sc= -2.52! C(o=-2.5!,f=-6.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 80 THR OG1 : rot 111:sc= 1.13 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-0.058) USER MOD Single : A 84 CYS SG : rot 86:sc= -0.827! USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= 0.132 (180deg=-0.0619) USER MOD Single : A 92 TYR OH : rot -151:sc= 0.089 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.63) USER MOD Single : A 106 SER OG : rot -66:sc= 0.0652 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.375 -5.918 -1.359 1.00 0.00 N ATOM 67 CA ASN A 8 -8.268 -6.487 -0.599 1.00 0.00 C ATOM 68 C ASN A 8 -7.608 -5.428 0.278 1.00 0.00 C ATOM 69 O ASN A 8 -7.075 -5.733 1.345 1.00 0.00 O ATOM 70 CB ASN A 8 -7.232 -7.098 -1.546 1.00 0.00 C ATOM 71 CG ASN A 8 -7.681 -8.432 -2.110 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.128 -9.312 -1.373 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.563 -8.589 -3.423 1.00 0.00 N ATOM 0 HA ASN A 8 -8.668 -7.269 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.040 -6.406 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.290 -7.230 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.848 -9.466 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.187 -7.833 -3.995 1.00 0.00 H new ATOM 80 N VAL A 9 -7.648 -4.180 -0.179 1.00 0.00 N ATOM 81 CA VAL A 9 -7.057 -3.074 0.564 1.00 0.00 C ATOM 82 C VAL A 9 -7.916 -2.697 1.766 1.00 0.00 C ATOM 83 O VAL A 9 -9.145 -2.711 1.692 1.00 0.00 O ATOM 84 CB VAL A 9 -6.871 -1.833 -0.329 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.257 -0.690 0.465 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.014 -2.172 -1.539 1.00 0.00 C ATOM 0 H VAL A 9 -8.084 -3.910 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.081 -3.413 0.911 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.851 -1.512 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.133 0.178 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.912 -0.431 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.285 -0.996 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.893 -1.284 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.036 -2.519 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.499 -2.957 -2.120 1.00 0.00 H new ATOM 96 N ARG A 10 -7.261 -2.361 2.873 1.00 0.00 N ATOM 97 CA ARG A 10 -7.965 -1.981 4.091 1.00 0.00 C ATOM 98 C ARG A 10 -7.939 -0.467 4.285 1.00 0.00 C ATOM 99 O ARG A 10 -7.012 0.210 3.840 1.00 0.00 O ATOM 100 CB ARG A 10 -7.339 -2.672 5.304 1.00 0.00 C ATOM 101 CG ARG A 10 -7.826 -4.096 5.513 1.00 0.00 C ATOM 102 CD ARG A 10 -9.057 -4.139 6.405 1.00 0.00 C ATOM 103 NE ARG A 10 -9.928 -5.266 6.083 1.00 0.00 N ATOM 104 CZ ARG A 10 -9.727 -6.500 6.530 1.00 0.00 C ATOM 105 NH1 ARG A 10 -8.692 -6.765 7.315 1.00 0.00 N ATOM 106 NH2 ARG A 10 -10.564 -7.473 6.193 1.00 0.00 N ATOM 0 H ARG A 10 -6.244 -2.344 2.951 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.003 -2.300 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.255 -2.681 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.558 -2.087 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.058 -4.547 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.030 -4.692 5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.747 -4.207 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.614 -3.208 6.299 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.735 -5.096 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.047 -6.020 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.541 -7.714 7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.362 -7.273 5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.409 -8.421 6.537 1.00 0.00 H new ATOM 120 N VAL A 11 -8.963 0.057 4.951 1.00 0.00 N ATOM 121 CA VAL A 11 -9.058 1.489 5.203 1.00 0.00 C ATOM 122 C VAL A 11 -8.730 1.814 6.657 1.00 0.00 C ATOM 123 O VAL A 11 -9.567 1.646 7.544 1.00 0.00 O ATOM 124 CB VAL A 11 -10.464 2.026 4.873 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.558 3.509 5.195 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.804 1.765 3.414 1.00 0.00 C ATOM 0 H VAL A 11 -9.739 -0.489 5.326 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.331 1.974 4.552 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.191 1.499 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.558 3.871 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.360 3.664 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.823 4.057 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.800 2.151 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.075 2.265 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.780 0.692 3.221 1.00 0.00 H new ATOM 136 N ILE A 12 -7.508 2.279 6.892 1.00 0.00 N ATOM 137 CA ILE A 12 -7.071 2.628 8.238 1.00 0.00 C ATOM 138 C ILE A 12 -7.582 4.007 8.641 1.00 0.00 C ATOM 139 O ILE A 12 -7.672 4.915 7.814 1.00 0.00 O ATOM 140 CB ILE A 12 -5.535 2.608 8.353 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.987 1.248 7.917 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.107 2.925 9.778 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.297 0.131 8.889 1.00 0.00 C ATOM 0 H ILE A 12 -6.803 2.423 6.169 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.488 1.878 8.910 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.126 3.372 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.401 0.995 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.906 1.323 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.019 2.907 9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.471 3.914 10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.524 2.181 10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.878 -0.803 8.515 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.859 0.362 9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.377 0.028 8.993 1.00 0.00 H new ATOM 155 N THR A 13 -7.914 4.159 9.919 1.00 0.00 N ATOM 156 CA THR A 13 -8.415 5.427 10.434 1.00 0.00 C ATOM 157 C THR A 13 -7.542 5.943 11.572 1.00 0.00 C ATOM 158 O THR A 13 -6.513 5.349 11.895 1.00 0.00 O ATOM 159 CB THR A 13 -9.866 5.296 10.934 1.00 0.00 C ATOM 160 OG1 THR A 13 -9.977 4.183 11.829 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.827 5.114 9.769 1.00 0.00 C ATOM 0 H THR A 13 -7.845 3.419 10.617 1.00 0.00 H new ATOM 0 HA THR A 13 -8.386 6.137 9.607 1.00 0.00 H new ATOM 0 HB THR A 13 -10.129 6.213 11.460 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.902 4.107 12.144 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.845 5.024 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.762 5.976 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.564 4.211 9.218 1.00 0.00 H new ATOM 169 N ASP A 14 -7.958 7.050 12.176 1.00 0.00 N ATOM 170 CA ASP A 14 -7.214 7.645 13.280 1.00 0.00 C ATOM 171 C ASP A 14 -7.315 6.779 14.532 1.00 0.00 C ATOM 172 O ASP A 14 -6.702 7.079 15.556 1.00 0.00 O ATOM 173 CB ASP A 14 -7.735 9.052 13.575 1.00 0.00 C ATOM 174 CG ASP A 14 -7.260 10.070 12.557 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.148 9.894 12.017 1.00 0.00 O ATOM 176 OD2 ASP A 14 -7.999 11.044 12.302 1.00 0.00 O ATOM 0 H ASP A 14 -8.807 7.554 11.920 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.166 7.708 12.987 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.825 9.037 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.408 9.357 14.569 1.00 0.00 H new ATOM 181 N GLU A 15 -8.092 5.704 14.441 1.00 0.00 N ATOM 182 CA GLU A 15 -8.274 4.797 15.568 1.00 0.00 C ATOM 183 C GLU A 15 -7.800 3.390 15.216 1.00 0.00 C ATOM 184 O GLU A 15 -7.232 2.688 16.051 1.00 0.00 O ATOM 185 CB GLU A 15 -9.745 4.760 15.990 1.00 0.00 C ATOM 186 CG GLU A 15 -10.003 3.913 17.225 1.00 0.00 C ATOM 187 CD GLU A 15 -9.327 4.466 18.464 1.00 0.00 C ATOM 188 OE1 GLU A 15 -9.095 5.692 18.517 1.00 0.00 O ATOM 189 OE2 GLU A 15 -9.031 3.673 19.382 1.00 0.00 O ATOM 0 H GLU A 15 -8.605 5.440 13.600 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.674 5.167 16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.085 5.778 16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.342 4.374 15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.077 3.850 17.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.649 2.898 17.045 1.00 0.00 H new ATOM 196 N ASN A 16 -8.038 2.986 13.972 1.00 0.00 N ATOM 197 CA ASN A 16 -7.637 1.663 13.508 1.00 0.00 C ATOM 198 C ASN A 16 -6.118 1.523 13.512 1.00 0.00 C ATOM 199 O ASN A 16 -5.587 0.414 13.581 1.00 0.00 O ATOM 200 CB ASN A 16 -8.180 1.406 12.101 1.00 0.00 C ATOM 201 CG ASN A 16 -8.471 -0.062 11.853 1.00 0.00 C ATOM 202 OD1 ASN A 16 -8.636 -0.841 12.791 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.533 -0.445 10.583 1.00 0.00 N ATOM 0 H ASN A 16 -8.506 3.556 13.268 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.055 0.924 14.192 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.092 1.984 11.955 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.458 1.760 11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.724 -1.420 10.353 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.390 0.236 9.837 1.00 0.00 H new ATOM 210 N TRP A 17 -5.425 2.653 13.437 1.00 0.00 N ATOM 211 CA TRP A 17 -3.966 2.657 13.432 1.00 0.00 C ATOM 212 C TRP A 17 -3.416 1.616 14.401 1.00 0.00 C ATOM 213 O TRP A 17 -2.511 0.855 14.060 1.00 0.00 O ATOM 214 CB TRP A 17 -3.438 4.044 13.801 1.00 0.00 C ATOM 215 CG TRP A 17 -3.453 4.313 15.275 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.423 4.967 15.979 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.449 3.937 16.225 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.084 5.020 17.310 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.878 4.394 17.486 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.232 3.257 16.132 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.130 4.193 18.644 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.492 3.058 17.282 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.943 3.524 18.524 1.00 0.00 C ATOM 0 H TRP A 17 -5.849 3.579 13.379 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.630 2.404 12.426 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.418 4.147 13.431 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.039 4.800 13.295 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.324 5.382 15.553 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.640 5.455 18.047 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.876 2.894 15.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.475 4.553 19.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.451 2.534 17.222 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.341 3.352 19.404 1.00 0.00 H new ATOM 234 N ARG A 18 -3.968 1.589 15.610 1.00 0.00 N ATOM 235 CA ARG A 18 -3.531 0.642 16.628 1.00 0.00 C ATOM 236 C ARG A 18 -3.288 -0.736 16.020 1.00 0.00 C ATOM 237 O ARG A 18 -2.227 -1.330 16.210 1.00 0.00 O ATOM 238 CB ARG A 18 -4.574 0.542 17.743 1.00 0.00 C ATOM 239 CG ARG A 18 -4.379 1.563 18.852 1.00 0.00 C ATOM 240 CD ARG A 18 -3.432 1.048 19.924 1.00 0.00 C ATOM 241 NE ARG A 18 -3.350 1.956 21.065 1.00 0.00 N ATOM 242 CZ ARG A 18 -2.983 1.575 22.283 1.00 0.00 C ATOM 243 NH1 ARG A 18 -2.666 0.309 22.518 1.00 0.00 N ATOM 244 NH2 ARG A 18 -2.932 2.461 23.270 1.00 0.00 N ATOM 0 H ARG A 18 -4.719 2.212 15.908 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.593 1.006 17.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.567 0.671 17.313 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.540 -0.459 18.172 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.985 2.488 18.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.343 1.802 19.301 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.768 0.068 20.264 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.439 0.914 19.496 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.588 2.937 20.918 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.704 -0.375 21.762 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.384 0.019 23.455 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.175 3.436 23.093 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.650 2.167 24.205 1.00 0.00 H new ATOM 258 N GLU A 19 -4.279 -1.238 15.289 1.00 0.00 N ATOM 259 CA GLU A 19 -4.172 -2.547 14.655 1.00 0.00 C ATOM 260 C GLU A 19 -2.800 -2.729 14.010 1.00 0.00 C ATOM 261 O GLU A 19 -2.229 -3.820 14.035 1.00 0.00 O ATOM 262 CB GLU A 19 -5.269 -2.720 13.603 1.00 0.00 C ATOM 263 CG GLU A 19 -6.621 -3.092 14.189 1.00 0.00 C ATOM 264 CD GLU A 19 -6.700 -4.552 14.592 1.00 0.00 C ATOM 265 OE1 GLU A 19 -5.649 -5.130 14.938 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.814 -5.115 14.561 1.00 0.00 O ATOM 0 H GLU A 19 -5.164 -0.759 15.121 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.295 -3.307 15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.370 -1.793 13.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.964 -3.491 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.820 -2.467 15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.401 -2.878 13.458 1.00 0.00 H new ATOM 273 N LEU A 20 -2.278 -1.653 13.432 1.00 0.00 N ATOM 274 CA LEU A 20 -0.974 -1.692 12.779 1.00 0.00 C ATOM 275 C LEU A 20 0.093 -2.229 13.727 1.00 0.00 C ATOM 276 O LEU A 20 0.952 -3.018 13.329 1.00 0.00 O ATOM 277 CB LEU A 20 -0.583 -0.295 12.293 1.00 0.00 C ATOM 278 CG LEU A 20 -1.625 0.436 11.445 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.284 1.914 11.338 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.724 -0.192 10.063 1.00 0.00 C ATOM 0 H LEU A 20 -2.737 -0.743 13.402 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.044 -2.362 11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.355 0.320 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.336 -0.378 11.712 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.594 0.342 11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.036 2.418 10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.266 2.356 12.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.305 2.029 10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.470 0.341 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.756 -0.130 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.017 -1.238 10.159 1.00 0.00 H new ATOM 292 N LEU A 21 0.033 -1.800 14.983 1.00 0.00 N ATOM 293 CA LEU A 21 0.993 -2.240 15.989 1.00 0.00 C ATOM 294 C LEU A 21 1.096 -3.762 16.015 1.00 0.00 C ATOM 295 O LEU A 21 2.141 -4.317 16.351 1.00 0.00 O ATOM 296 CB LEU A 21 0.589 -1.720 17.370 1.00 0.00 C ATOM 297 CG LEU A 21 0.433 -0.205 17.497 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.257 0.153 18.804 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.789 0.481 17.403 1.00 0.00 C ATOM 0 H LEU A 21 -0.671 -1.148 15.329 1.00 0.00 H new ATOM 0 HA LEU A 21 1.970 -1.833 15.726 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.355 -2.187 17.650 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.335 -2.050 18.093 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.188 0.147 16.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.359 1.236 18.877 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.245 -0.307 18.832 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.338 -0.212 19.641 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.658 1.559 17.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.434 0.123 18.206 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.247 0.252 16.441 1.00 0.00 H new ATOM 311 N GLU A 22 0.003 -4.429 15.657 1.00 0.00 N ATOM 312 CA GLU A 22 -0.029 -5.887 15.639 1.00 0.00 C ATOM 313 C GLU A 22 0.035 -6.415 14.209 1.00 0.00 C ATOM 314 O GLU A 22 -0.594 -5.867 13.304 1.00 0.00 O ATOM 315 CB GLU A 22 -1.295 -6.400 16.327 1.00 0.00 C ATOM 316 CG GLU A 22 -2.564 -5.703 15.866 1.00 0.00 C ATOM 317 CD GLU A 22 -3.808 -6.248 16.541 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.064 -5.872 17.704 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.524 -7.051 15.907 1.00 0.00 O ATOM 0 H GLU A 22 -0.871 -3.984 15.376 1.00 0.00 H new ATOM 0 HA GLU A 22 0.844 -6.251 16.182 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.391 -7.470 16.142 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.191 -6.271 17.404 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.482 -4.635 16.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.663 -5.814 14.786 1.00 0.00 H new ATOM 326 N GLY A 23 0.801 -7.483 14.012 1.00 0.00 N ATOM 327 CA GLY A 23 0.935 -8.068 12.690 1.00 0.00 C ATOM 328 C GLY A 23 1.515 -7.095 11.683 1.00 0.00 C ATOM 329 O GLY A 23 1.749 -5.929 11.999 1.00 0.00 O ATOM 0 H GLY A 23 1.332 -7.954 14.745 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.574 -8.949 12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.042 -8.405 12.344 1.00 0.00 H new ATOM 333 N ASP A 24 1.751 -7.576 10.467 1.00 0.00 N ATOM 334 CA ASP A 24 2.308 -6.741 9.409 1.00 0.00 C ATOM 335 C ASP A 24 1.213 -5.936 8.717 1.00 0.00 C ATOM 336 O ASP A 24 0.113 -6.438 8.486 1.00 0.00 O ATOM 337 CB ASP A 24 3.048 -7.604 8.386 1.00 0.00 C ATOM 338 CG ASP A 24 4.250 -8.309 8.983 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.756 -7.840 10.024 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.684 -9.331 8.411 1.00 0.00 O ATOM 0 H ASP A 24 1.565 -8.540 10.190 1.00 0.00 H new ATOM 0 HA ASP A 24 3.013 -6.044 9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.362 -8.346 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.373 -6.978 7.555 1.00 0.00 H new ATOM 345 N TRP A 25 1.521 -4.686 8.391 1.00 0.00 N ATOM 346 CA TRP A 25 0.561 -3.811 7.726 1.00 0.00 C ATOM 347 C TRP A 25 1.260 -2.902 6.722 1.00 0.00 C ATOM 348 O TRP A 25 2.183 -2.167 7.073 1.00 0.00 O ATOM 349 CB TRP A 25 -0.192 -2.970 8.758 1.00 0.00 C ATOM 350 CG TRP A 25 -1.243 -3.739 9.499 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.046 -4.612 10.531 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.655 -3.707 9.263 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.250 -5.123 10.950 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.253 -4.583 10.189 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.473 -3.021 8.360 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.629 -4.791 10.236 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.838 -3.228 8.408 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.405 -4.107 9.341 1.00 0.00 C ATOM 0 H TRP A 25 2.427 -4.255 8.576 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.152 -4.435 7.187 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.522 -2.562 9.474 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.659 -2.123 8.255 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.085 -4.863 10.955 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.377 -5.796 11.706 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.045 -2.341 7.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.068 -5.468 10.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.479 -2.704 7.715 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.476 -4.247 9.353 1.00 0.00 H new ATOM 369 N MET A 26 0.813 -2.955 5.471 1.00 0.00 N ATOM 370 CA MET A 26 1.395 -2.134 4.416 1.00 0.00 C ATOM 371 C MET A 26 0.530 -0.908 4.142 1.00 0.00 C ATOM 372 O MET A 26 -0.571 -1.022 3.601 1.00 0.00 O ATOM 373 CB MET A 26 1.560 -2.953 3.135 1.00 0.00 C ATOM 374 CG MET A 26 2.749 -3.900 3.168 1.00 0.00 C ATOM 375 SD MET A 26 4.329 -3.035 3.090 1.00 0.00 S ATOM 376 CE MET A 26 4.472 -2.750 1.328 1.00 0.00 C ATOM 0 H MET A 26 0.050 -3.558 5.164 1.00 0.00 H new ATOM 0 HA MET A 26 2.376 -1.797 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.651 -3.530 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.671 -2.273 2.290 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.710 -4.495 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.678 -4.595 2.331 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.068 -1.855 1.151 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.956 -3.607 0.859 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.479 -2.615 0.900 1.00 0.00 H new ATOM 386 N ILE A 27 1.033 0.263 4.518 1.00 0.00 N ATOM 387 CA ILE A 27 0.306 1.509 4.311 1.00 0.00 C ATOM 388 C ILE A 27 0.898 2.305 3.153 1.00 0.00 C ATOM 389 O ILE A 27 2.102 2.255 2.904 1.00 0.00 O ATOM 390 CB ILE A 27 0.316 2.384 5.579 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.099 1.557 6.798 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.608 3.580 5.404 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.162 2.253 8.116 1.00 0.00 C ATOM 0 H ILE A 27 1.942 0.375 4.968 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.723 1.238 4.074 1.00 0.00 H new ATOM 0 HB ILE A 27 1.329 2.753 5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.161 1.323 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.438 0.609 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.590 4.189 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.272 4.178 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.624 3.231 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.156 1.610 8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.227 2.463 8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.397 3.188 8.151 1.00 0.00 H new ATOM 405 N GLU A 28 0.042 3.041 2.450 1.00 0.00 N ATOM 406 CA GLU A 28 0.482 3.849 1.318 1.00 0.00 C ATOM 407 C GLU A 28 -0.303 5.155 1.245 1.00 0.00 C ATOM 408 O GLU A 28 -1.499 5.159 0.951 1.00 0.00 O ATOM 409 CB GLU A 28 0.318 3.069 0.012 1.00 0.00 C ATOM 410 CG GLU A 28 -1.132 2.816 -0.368 1.00 0.00 C ATOM 411 CD GLU A 28 -1.702 3.908 -1.253 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.986 4.900 -1.506 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.862 3.771 -1.692 1.00 0.00 O ATOM 0 H GLU A 28 -0.958 3.094 2.644 1.00 0.00 H new ATOM 0 HA GLU A 28 1.536 4.086 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.805 3.619 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.833 2.113 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.207 1.859 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.733 2.737 0.538 1.00 0.00 H new ATOM 420 N PHE A 29 0.378 6.264 1.516 1.00 0.00 N ATOM 421 CA PHE A 29 -0.255 7.577 1.483 1.00 0.00 C ATOM 422 C PHE A 29 -0.451 8.050 0.046 1.00 0.00 C ATOM 423 O PHE A 29 0.512 8.206 -0.705 1.00 0.00 O ATOM 424 CB PHE A 29 0.589 8.593 2.255 1.00 0.00 C ATOM 425 CG PHE A 29 0.544 8.401 3.744 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.394 7.500 4.366 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.348 9.120 4.522 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.356 7.321 5.736 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.391 8.946 5.893 1.00 0.00 C ATOM 430 CZ PHE A 29 0.461 8.045 6.500 1.00 0.00 C ATOM 0 H PHE A 29 1.368 6.279 1.761 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.233 7.493 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.624 8.524 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.242 9.598 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.095 6.931 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.018 9.825 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.025 6.617 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.090 9.514 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.428 7.906 7.571 1.00 0.00 H new ATOM 440 N TYR A 30 -1.705 8.277 -0.330 1.00 0.00 N ATOM 441 CA TYR A 30 -2.029 8.729 -1.678 1.00 0.00 C ATOM 442 C TYR A 30 -2.898 9.983 -1.638 1.00 0.00 C ATOM 443 O TYR A 30 -3.513 10.292 -0.618 1.00 0.00 O ATOM 444 CB TYR A 30 -2.747 7.622 -2.451 1.00 0.00 C ATOM 445 CG TYR A 30 -4.216 7.501 -2.112 1.00 0.00 C ATOM 446 CD1 TYR A 30 -5.157 8.331 -2.708 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.662 6.557 -1.196 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.500 8.225 -2.401 1.00 0.00 C ATOM 449 CE2 TYR A 30 -6.003 6.442 -0.884 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.918 7.279 -1.488 1.00 0.00 C ATOM 451 OH TYR A 30 -8.255 7.169 -1.181 1.00 0.00 O ATOM 0 H TYR A 30 -2.514 8.155 0.280 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.096 8.971 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.644 7.811 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.256 6.671 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.833 9.072 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.948 5.902 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.218 8.879 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.333 5.701 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.355 6.738 -0.307 1.00 0.00 H new ATOM 461 N ALA A 31 -2.943 10.699 -2.756 1.00 0.00 N ATOM 462 CA ALA A 31 -3.738 11.918 -2.851 1.00 0.00 C ATOM 463 C ALA A 31 -4.425 12.020 -4.208 1.00 0.00 C ATOM 464 O ALA A 31 -3.829 11.764 -5.254 1.00 0.00 O ATOM 465 CB ALA A 31 -2.863 13.138 -2.606 1.00 0.00 C ATOM 0 H ALA A 31 -2.439 10.457 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.512 11.880 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.469 14.041 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.423 13.076 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.069 13.172 -3.352 1.00 0.00 H new ATOM 471 N PRO A 32 -5.711 12.403 -4.193 1.00 0.00 N ATOM 472 CA PRO A 32 -6.507 12.548 -5.415 1.00 0.00 C ATOM 473 C PRO A 32 -6.061 13.736 -6.261 1.00 0.00 C ATOM 474 O PRO A 32 -6.427 13.849 -7.431 1.00 0.00 O ATOM 475 CB PRO A 32 -7.927 12.770 -4.889 1.00 0.00 C ATOM 476 CG PRO A 32 -7.741 13.347 -3.528 1.00 0.00 C ATOM 477 CD PRO A 32 -6.485 12.725 -2.983 1.00 0.00 C ATOM 0 HA PRO A 32 -6.410 11.681 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.486 13.448 -5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.485 11.835 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.651 14.432 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.596 13.124 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.946 13.413 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.701 11.833 -2.395 1.00 0.00 H new ATOM 485 N TRP A 33 -5.269 14.618 -5.662 1.00 0.00 N ATOM 486 CA TRP A 33 -4.772 15.798 -6.361 1.00 0.00 C ATOM 487 C TRP A 33 -3.295 15.645 -6.706 1.00 0.00 C ATOM 488 O TRP A 33 -2.548 16.624 -6.727 1.00 0.00 O ATOM 489 CB TRP A 33 -4.983 17.049 -5.507 1.00 0.00 C ATOM 490 CG TRP A 33 -4.973 16.770 -4.034 1.00 0.00 C ATOM 491 CD1 TRP A 33 -6.045 16.794 -3.189 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.836 16.429 -3.234 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.643 16.488 -1.911 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.293 16.259 -1.912 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.477 16.248 -3.505 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.438 15.918 -0.868 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.630 15.911 -2.467 1.00 0.00 C ATOM 498 CH2 TRP A 33 -2.112 15.748 -1.162 1.00 0.00 C ATOM 0 H TRP A 33 -4.957 14.539 -4.694 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.333 15.902 -7.290 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.202 17.774 -5.738 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.934 17.508 -5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -7.060 17.020 -3.482 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.252 16.439 -1.094 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.096 16.369 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.808 15.792 0.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.578 15.771 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.424 15.483 -0.373 1.00 0.00 H new ATOM 509 N CYS A 34 -2.879 14.412 -6.974 1.00 0.00 N ATOM 510 CA CYS A 34 -1.489 14.131 -7.317 1.00 0.00 C ATOM 511 C CYS A 34 -1.404 13.117 -8.453 1.00 0.00 C ATOM 512 O CYS A 34 -2.040 12.063 -8.426 1.00 0.00 O ATOM 513 CB CYS A 34 -0.736 13.609 -6.093 1.00 0.00 C ATOM 514 SG CYS A 34 1.064 13.681 -6.249 1.00 0.00 S ATOM 0 H CYS A 34 -3.484 13.591 -6.960 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.027 15.061 -7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.038 14.187 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.033 12.576 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 34 1.612 13.240 -5.156 1.00 0.00 H new ATOM 520 N PRO A 35 -0.600 13.441 -9.477 1.00 0.00 N ATOM 521 CA PRO A 35 -0.413 12.572 -10.642 1.00 0.00 C ATOM 522 C PRO A 35 0.367 11.307 -10.303 1.00 0.00 C ATOM 523 O PRO A 35 -0.037 10.202 -10.663 1.00 0.00 O ATOM 524 CB PRO A 35 0.383 13.447 -11.613 1.00 0.00 C ATOM 525 CG PRO A 35 1.098 14.423 -10.744 1.00 0.00 C ATOM 526 CD PRO A 35 0.188 14.681 -9.575 1.00 0.00 C ATOM 0 HA PRO A 35 -1.363 12.220 -11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.083 12.852 -12.199 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.274 13.953 -12.320 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.055 14.022 -10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.309 15.345 -11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.751 14.873 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.448 15.549 -9.745 1.00 0.00 H new ATOM 534 N ALA A 36 1.487 11.476 -9.607 1.00 0.00 N ATOM 535 CA ALA A 36 2.322 10.347 -9.217 1.00 0.00 C ATOM 536 C ALA A 36 1.507 9.290 -8.480 1.00 0.00 C ATOM 537 O ALA A 36 1.616 8.097 -8.768 1.00 0.00 O ATOM 538 CB ALA A 36 3.480 10.822 -8.351 1.00 0.00 C ATOM 0 H ALA A 36 1.837 12.384 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 36 2.722 9.893 -10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.096 9.969 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.085 11.535 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.090 11.303 -7.454 1.00 0.00 H new ATOM 544 N CYS A 37 0.692 9.734 -7.530 1.00 0.00 N ATOM 545 CA CYS A 37 -0.141 8.825 -6.751 1.00 0.00 C ATOM 546 C CYS A 37 -1.082 8.038 -7.657 1.00 0.00 C ATOM 547 O CYS A 37 -1.367 6.868 -7.405 1.00 0.00 O ATOM 548 CB CYS A 37 -0.947 9.604 -5.710 1.00 0.00 C ATOM 549 SG CYS A 37 0.066 10.485 -4.500 1.00 0.00 S ATOM 0 H CYS A 37 0.590 10.718 -7.281 1.00 0.00 H new ATOM 0 HA CYS A 37 0.514 8.120 -6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.586 10.322 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.604 8.912 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 37 0.589 11.538 -5.056 1.00 0.00 H new ATOM 555 N GLN A 38 -1.563 8.690 -8.711 1.00 0.00 N ATOM 556 CA GLN A 38 -2.474 8.052 -9.653 1.00 0.00 C ATOM 557 C GLN A 38 -1.811 6.854 -10.325 1.00 0.00 C ATOM 558 O GLN A 38 -2.488 5.935 -10.785 1.00 0.00 O ATOM 559 CB GLN A 38 -2.933 9.057 -10.711 1.00 0.00 C ATOM 560 CG GLN A 38 -3.772 10.193 -10.148 1.00 0.00 C ATOM 561 CD GLN A 38 -3.705 11.445 -11.000 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.245 11.410 -12.141 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.165 12.562 -10.448 1.00 0.00 N ATOM 0 H GLN A 38 -1.337 9.659 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.343 7.698 -9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.057 9.475 -11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.511 8.532 -11.472 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.809 9.868 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.431 10.426 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.538 12.546 -9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.145 13.436 -10.973 1.00 0.00 H new ATOM 572 N ASN A 39 -0.484 6.873 -10.380 1.00 0.00 N ATOM 573 CA ASN A 39 0.271 5.788 -10.997 1.00 0.00 C ATOM 574 C ASN A 39 0.379 4.594 -10.053 1.00 0.00 C ATOM 575 O ASN A 39 0.464 3.447 -10.493 1.00 0.00 O ATOM 576 CB ASN A 39 1.669 6.270 -11.390 1.00 0.00 C ATOM 577 CG ASN A 39 1.706 6.861 -12.786 1.00 0.00 C ATOM 578 OD1 ASN A 39 2.070 6.185 -13.748 1.00 0.00 O ATOM 579 ND2 ASN A 39 1.328 8.129 -12.902 1.00 0.00 N ATOM 0 H ASN A 39 0.091 7.627 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.262 5.472 -11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.007 7.018 -10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.367 5.435 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.332 8.581 -13.817 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.034 8.651 -12.077 1.00 0.00 H new ATOM 586 N LEU A 40 0.376 4.872 -8.754 1.00 0.00 N ATOM 587 CA LEU A 40 0.473 3.822 -7.747 1.00 0.00 C ATOM 588 C LEU A 40 -0.892 3.197 -7.478 1.00 0.00 C ATOM 589 O LEU A 40 -0.985 2.044 -7.057 1.00 0.00 O ATOM 590 CB LEU A 40 1.052 4.385 -6.448 1.00 0.00 C ATOM 591 CG LEU A 40 1.264 3.380 -5.315 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.496 2.529 -5.580 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.387 4.099 -3.980 1.00 0.00 C ATOM 0 H LEU A 40 0.307 5.816 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 40 1.138 3.048 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.010 4.854 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.388 5.172 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 40 0.396 2.722 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.631 1.820 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.368 1.985 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.374 3.172 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.537 3.368 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.237 4.781 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.475 4.664 -3.786 1.00 0.00 H new ATOM 605 N GLN A 41 -1.948 3.964 -7.728 1.00 0.00 N ATOM 606 CA GLN A 41 -3.309 3.484 -7.515 1.00 0.00 C ATOM 607 C GLN A 41 -3.457 2.041 -7.985 1.00 0.00 C ATOM 608 O GLN A 41 -3.845 1.152 -7.227 1.00 0.00 O ATOM 609 CB GLN A 41 -4.309 4.378 -8.251 1.00 0.00 C ATOM 610 CG GLN A 41 -4.823 5.536 -7.411 1.00 0.00 C ATOM 611 CD GLN A 41 -5.181 5.118 -5.998 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.322 4.750 -5.717 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.204 5.172 -5.100 1.00 0.00 N ATOM 0 H GLN A 41 -1.888 4.920 -8.078 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.517 3.522 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.837 4.774 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.155 3.772 -8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.064 6.318 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.701 5.967 -7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.273 5.483 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.385 4.902 -4.133 1.00 0.00 H new ATOM 622 N PRO A 42 -3.140 1.800 -9.266 1.00 0.00 N ATOM 623 CA PRO A 42 -3.230 0.465 -9.866 1.00 0.00 C ATOM 624 C PRO A 42 -2.170 -0.487 -9.322 1.00 0.00 C ATOM 625 O PRO A 42 -2.469 -1.629 -8.974 1.00 0.00 O ATOM 626 CB PRO A 42 -2.997 0.730 -11.355 1.00 0.00 C ATOM 627 CG PRO A 42 -2.204 1.990 -11.397 1.00 0.00 C ATOM 628 CD PRO A 42 -2.669 2.811 -10.227 1.00 0.00 C ATOM 0 HA PRO A 42 -4.183 -0.017 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.457 -0.093 -11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.940 0.838 -11.890 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.136 1.782 -11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.365 2.521 -12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.861 3.414 -9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.466 3.498 -10.510 1.00 0.00 H new ATOM 636 N GLU A 43 -0.931 -0.009 -9.252 1.00 0.00 N ATOM 637 CA GLU A 43 0.172 -0.820 -8.750 1.00 0.00 C ATOM 638 C GLU A 43 -0.170 -1.425 -7.392 1.00 0.00 C ATOM 639 O GLU A 43 0.159 -2.578 -7.114 1.00 0.00 O ATOM 640 CB GLU A 43 1.444 0.024 -8.639 1.00 0.00 C ATOM 641 CG GLU A 43 2.314 -0.019 -9.885 1.00 0.00 C ATOM 642 CD GLU A 43 1.744 0.804 -11.023 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.846 0.300 -11.730 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.195 1.954 -11.206 1.00 0.00 O ATOM 0 H GLU A 43 -0.667 0.934 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 43 0.343 -1.632 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.167 1.058 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.027 -0.324 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.311 0.348 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.426 -1.053 -10.210 1.00 0.00 H new ATOM 651 N TRP A 44 -0.832 -0.638 -6.551 1.00 0.00 N ATOM 652 CA TRP A 44 -1.219 -1.095 -5.221 1.00 0.00 C ATOM 653 C TRP A 44 -2.206 -2.254 -5.310 1.00 0.00 C ATOM 654 O TRP A 44 -1.972 -3.323 -4.748 1.00 0.00 O ATOM 655 CB TRP A 44 -1.834 0.055 -4.423 1.00 0.00 C ATOM 656 CG TRP A 44 -1.755 -0.142 -2.939 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.793 -0.120 -2.053 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.573 -0.389 -2.170 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.328 -0.339 -0.778 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.970 -0.508 -0.823 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.781 -0.524 -2.487 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.060 -0.753 0.202 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.683 -0.766 -1.468 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.260 -0.880 -0.137 1.00 0.00 C ATOM 0 H TRP A 44 -1.112 0.319 -6.766 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.323 -1.444 -4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.326 0.983 -4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.879 0.170 -4.712 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.828 0.045 -2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.902 -0.370 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.117 -0.441 -3.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.384 -0.840 1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.732 -0.869 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.989 -1.072 0.636 1.00 0.00 H new ATOM 675 N GLU A 45 -3.309 -2.034 -6.018 1.00 0.00 N ATOM 676 CA GLU A 45 -4.331 -3.061 -6.179 1.00 0.00 C ATOM 677 C GLU A 45 -3.707 -4.389 -6.597 1.00 0.00 C ATOM 678 O GLU A 45 -3.952 -5.425 -5.979 1.00 0.00 O ATOM 679 CB GLU A 45 -5.368 -2.623 -7.215 1.00 0.00 C ATOM 680 CG GLU A 45 -6.390 -1.637 -6.674 1.00 0.00 C ATOM 681 CD GLU A 45 -7.553 -1.424 -7.623 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.331 -1.463 -8.851 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.685 -1.217 -7.138 1.00 0.00 O ATOM 0 H GLU A 45 -3.518 -1.154 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.825 -3.199 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.853 -2.171 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.889 -3.504 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.768 -1.999 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.902 -0.681 -6.483 1.00 0.00 H new ATOM 690 N SER A 46 -2.899 -4.350 -7.652 1.00 0.00 N ATOM 691 CA SER A 46 -2.242 -5.550 -8.157 1.00 0.00 C ATOM 692 C SER A 46 -1.383 -6.195 -7.075 1.00 0.00 C ATOM 693 O SER A 46 -1.192 -7.412 -7.061 1.00 0.00 O ATOM 694 CB SER A 46 -1.380 -5.211 -9.374 1.00 0.00 C ATOM 695 OG SER A 46 -2.183 -4.953 -10.513 1.00 0.00 O ATOM 0 H SER A 46 -2.684 -3.500 -8.174 1.00 0.00 H new ATOM 0 HA SER A 46 -3.014 -6.260 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.763 -4.339 -9.155 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.701 -6.037 -9.584 1.00 0.00 H new ATOM 0 HG SER A 46 -1.608 -4.737 -11.277 1.00 0.00 H new ATOM 701 N PHE A 47 -0.867 -5.372 -6.168 1.00 0.00 N ATOM 702 CA PHE A 47 -0.027 -5.861 -5.081 1.00 0.00 C ATOM 703 C PHE A 47 -0.866 -6.567 -4.020 1.00 0.00 C ATOM 704 O PHE A 47 -0.649 -7.741 -3.722 1.00 0.00 O ATOM 705 CB PHE A 47 0.749 -4.704 -4.448 1.00 0.00 C ATOM 706 CG PHE A 47 1.096 -4.934 -3.005 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.388 -6.207 -2.543 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.128 -3.877 -2.110 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.708 -6.422 -1.215 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.448 -4.086 -0.781 1.00 0.00 C ATOM 711 CZ PHE A 47 1.736 -5.360 -0.333 1.00 0.00 C ATOM 0 H PHE A 47 -1.016 -4.363 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 47 0.680 -6.579 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.667 -4.541 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.158 -3.792 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.365 -7.041 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.901 -2.879 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.936 -7.419 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.473 -3.253 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.983 -5.525 0.705 1.00 0.00 H new ATOM 721 N ALA A 48 -1.825 -5.841 -3.454 1.00 0.00 N ATOM 722 CA ALA A 48 -2.698 -6.397 -2.428 1.00 0.00 C ATOM 723 C ALA A 48 -3.234 -7.763 -2.843 1.00 0.00 C ATOM 724 O ALA A 48 -3.660 -8.554 -2.003 1.00 0.00 O ATOM 725 CB ALA A 48 -3.847 -5.442 -2.138 1.00 0.00 C ATOM 0 H ALA A 48 -2.017 -4.867 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.111 -6.528 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.491 -5.870 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.449 -4.489 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.425 -5.281 -3.048 1.00 0.00 H new ATOM 731 N GLU A 49 -3.211 -8.031 -4.145 1.00 0.00 N ATOM 732 CA GLU A 49 -3.697 -9.301 -4.671 1.00 0.00 C ATOM 733 C GLU A 49 -2.997 -10.475 -3.992 1.00 0.00 C ATOM 734 O GLU A 49 -3.644 -11.333 -3.391 1.00 0.00 O ATOM 735 CB GLU A 49 -3.477 -9.370 -6.184 1.00 0.00 C ATOM 736 CG GLU A 49 -4.287 -8.347 -6.963 1.00 0.00 C ATOM 737 CD GLU A 49 -4.475 -8.737 -8.417 1.00 0.00 C ATOM 738 OE1 GLU A 49 -5.265 -9.666 -8.684 1.00 0.00 O ATOM 739 OE2 GLU A 49 -3.833 -8.111 -9.286 1.00 0.00 O ATOM 0 H GLU A 49 -2.861 -7.386 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.765 -9.366 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.418 -9.221 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.735 -10.369 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.263 -8.228 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.789 -7.379 -6.912 1.00 0.00 H new ATOM 746 N TRP A 50 -1.674 -10.505 -4.091 1.00 0.00 N ATOM 747 CA TRP A 50 -0.886 -11.573 -3.487 1.00 0.00 C ATOM 748 C TRP A 50 -0.454 -11.199 -2.073 1.00 0.00 C ATOM 749 O TRP A 50 0.163 -11.997 -1.370 1.00 0.00 O ATOM 750 CB TRP A 50 0.343 -11.877 -4.345 1.00 0.00 C ATOM 751 CG TRP A 50 1.136 -10.656 -4.699 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.206 -10.050 -5.921 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.974 -9.894 -3.823 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.036 -8.957 -5.857 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.519 -8.839 -4.581 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.315 -9.998 -2.472 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.386 -7.898 -4.031 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.175 -9.064 -1.928 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.703 -8.025 -2.706 1.00 0.00 C ATOM 0 H TRP A 50 -1.123 -9.802 -4.584 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.511 -12.464 -3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.986 -12.577 -3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.024 -12.373 -5.262 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.685 -10.381 -6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.257 -8.334 -6.634 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.913 -10.795 -1.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.794 -7.096 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.445 -9.136 -0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.373 -7.311 -2.251 1.00 0.00 H new ATOM 770 N GLY A 51 -0.784 -9.978 -1.662 1.00 0.00 N ATOM 771 CA GLY A 51 -0.422 -9.519 -0.334 1.00 0.00 C ATOM 772 C GLY A 51 -0.790 -10.519 0.745 1.00 0.00 C ATOM 773 O GLY A 51 0.084 -11.136 1.352 1.00 0.00 O ATOM 0 H GLY A 51 -1.296 -9.299 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.651 -9.329 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.921 -8.571 -0.132 1.00 0.00 H new ATOM 777 N GLU A 52 -2.088 -10.677 0.985 1.00 0.00 N ATOM 778 CA GLU A 52 -2.569 -11.607 2.000 1.00 0.00 C ATOM 779 C GLU A 52 -1.961 -12.993 1.799 1.00 0.00 C ATOM 780 O GLU A 52 -1.748 -13.733 2.760 1.00 0.00 O ATOM 781 CB GLU A 52 -4.096 -11.697 1.959 1.00 0.00 C ATOM 782 CG GLU A 52 -4.630 -12.440 0.746 1.00 0.00 C ATOM 783 CD GLU A 52 -6.080 -12.109 0.450 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.958 -12.562 1.214 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.336 -11.397 -0.543 1.00 0.00 O ATOM 0 H GLU A 52 -2.825 -10.173 0.491 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.261 -11.231 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.446 -12.195 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.511 -10.689 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.020 -12.194 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.533 -13.513 0.910 1.00 0.00 H new ATOM 792 N ASP A 53 -1.686 -13.336 0.546 1.00 0.00 N ATOM 793 CA ASP A 53 -1.103 -14.632 0.219 1.00 0.00 C ATOM 794 C ASP A 53 0.268 -14.790 0.868 1.00 0.00 C ATOM 795 O ASP A 53 0.633 -15.879 1.315 1.00 0.00 O ATOM 796 CB ASP A 53 -0.984 -14.793 -1.298 1.00 0.00 C ATOM 797 CG ASP A 53 -2.153 -15.553 -1.892 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.374 -16.714 -1.488 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.849 -14.987 -2.761 1.00 0.00 O ATOM 0 H ASP A 53 -1.857 -12.735 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.762 -15.408 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.921 -13.808 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.057 -15.316 -1.534 1.00 0.00 H new ATOM 804 N LEU A 54 1.024 -13.699 0.917 1.00 0.00 N ATOM 805 CA LEU A 54 2.356 -13.717 1.511 1.00 0.00 C ATOM 806 C LEU A 54 2.289 -13.430 3.008 1.00 0.00 C ATOM 807 O LEU A 54 3.302 -13.131 3.638 1.00 0.00 O ATOM 808 CB LEU A 54 3.257 -12.689 0.823 1.00 0.00 C ATOM 809 CG LEU A 54 3.429 -12.852 -0.687 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.354 -11.778 -1.238 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.963 -14.239 -1.017 1.00 0.00 C ATOM 0 H LEU A 54 0.737 -12.791 0.552 1.00 0.00 H new ATOM 0 HA LEU A 54 2.776 -14.713 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.855 -11.695 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.242 -12.730 1.287 1.00 0.00 H new ATOM 0 HG LEU A 54 2.453 -12.739 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.464 -11.910 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.931 -10.794 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.330 -11.859 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.079 -14.337 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.930 -14.381 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.263 -14.993 -0.657 1.00 0.00 H new ATOM 823 N GLU A 55 1.088 -13.524 3.570 1.00 0.00 N ATOM 824 CA GLU A 55 0.889 -13.276 4.993 1.00 0.00 C ATOM 825 C GLU A 55 1.187 -11.820 5.337 1.00 0.00 C ATOM 826 O GLU A 55 2.004 -11.531 6.212 1.00 0.00 O ATOM 827 CB GLU A 55 1.781 -14.201 5.824 1.00 0.00 C ATOM 828 CG GLU A 55 1.313 -14.369 7.259 1.00 0.00 C ATOM 829 CD GLU A 55 2.304 -15.139 8.110 1.00 0.00 C ATOM 830 OE1 GLU A 55 2.611 -16.298 7.759 1.00 0.00 O ATOM 831 OE2 GLU A 55 2.773 -14.584 9.125 1.00 0.00 O ATOM 0 H GLU A 55 0.239 -13.770 3.062 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.155 -13.481 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.820 -15.180 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.797 -13.807 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.147 -13.386 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.354 -14.887 7.266 1.00 0.00 H new ATOM 838 N VAL A 56 0.518 -10.905 4.643 1.00 0.00 N ATOM 839 CA VAL A 56 0.709 -9.478 4.875 1.00 0.00 C ATOM 840 C VAL A 56 -0.563 -8.696 4.571 1.00 0.00 C ATOM 841 O VAL A 56 -1.181 -8.879 3.523 1.00 0.00 O ATOM 842 CB VAL A 56 1.859 -8.919 4.016 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.339 -8.453 2.665 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.566 -7.786 4.745 1.00 0.00 C ATOM 0 H VAL A 56 -0.161 -11.126 3.915 1.00 0.00 H new ATOM 0 HA VAL A 56 0.961 -9.360 5.929 1.00 0.00 H new ATOM 0 HB VAL A 56 2.582 -9.716 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.166 -8.061 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.883 -9.293 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.595 -7.670 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.376 -7.403 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.855 -6.985 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.974 -8.157 5.685 1.00 0.00 H new ATOM 854 N ASN A 57 -0.950 -7.823 5.496 1.00 0.00 N ATOM 855 CA ASN A 57 -2.150 -7.012 5.327 1.00 0.00 C ATOM 856 C ASN A 57 -1.822 -5.692 4.636 1.00 0.00 C ATOM 857 O ASN A 57 -0.765 -5.104 4.868 1.00 0.00 O ATOM 858 CB ASN A 57 -2.803 -6.741 6.684 1.00 0.00 C ATOM 859 CG ASN A 57 -2.961 -8.002 7.511 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.964 -8.708 7.402 1.00 0.00 O ATOM 861 ND2 ASN A 57 -1.968 -8.291 8.345 1.00 0.00 N ATOM 0 H ASN A 57 -0.450 -7.659 6.370 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.848 -7.567 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.200 -6.020 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.781 -6.286 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.018 -9.127 8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.155 -7.677 8.403 1.00 0.00 H new ATOM 868 N ILE A 58 -2.735 -5.232 3.787 1.00 0.00 N ATOM 869 CA ILE A 58 -2.543 -3.981 3.064 1.00 0.00 C ATOM 870 C ILE A 58 -3.631 -2.971 3.415 1.00 0.00 C ATOM 871 O ILE A 58 -4.789 -3.334 3.614 1.00 0.00 O ATOM 872 CB ILE A 58 -2.540 -4.206 1.540 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.407 -5.155 1.145 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.406 -2.879 0.809 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.738 -6.615 1.363 1.00 0.00 C ATOM 0 H ILE A 58 -3.614 -5.707 3.583 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.573 -3.587 3.367 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.487 -4.662 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.163 -4.999 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.516 -4.903 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.405 -3.055 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.244 -2.233 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.472 -2.397 1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.890 -7.229 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.953 -6.786 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.610 -6.883 0.767 1.00 0.00 H new ATOM 887 N ALA A 59 -3.249 -1.700 3.488 1.00 0.00 N ATOM 888 CA ALA A 59 -4.192 -0.636 3.811 1.00 0.00 C ATOM 889 C ALA A 59 -3.851 0.646 3.059 1.00 0.00 C ATOM 890 O ALA A 59 -2.752 0.791 2.522 1.00 0.00 O ATOM 891 CB ALA A 59 -4.208 -0.383 5.311 1.00 0.00 C ATOM 0 H ALA A 59 -2.293 -1.382 3.328 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.186 -0.956 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.916 0.414 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.507 -1.293 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.212 -0.088 5.641 1.00 0.00 H new ATOM 897 N LYS A 60 -4.800 1.576 3.024 1.00 0.00 N ATOM 898 CA LYS A 60 -4.601 2.847 2.339 1.00 0.00 C ATOM 899 C LYS A 60 -5.071 4.012 3.205 1.00 0.00 C ATOM 900 O LYS A 60 -6.090 3.917 3.889 1.00 0.00 O ATOM 901 CB LYS A 60 -5.352 2.855 1.005 1.00 0.00 C ATOM 902 CG LYS A 60 -6.856 3.007 1.155 1.00 0.00 C ATOM 903 CD LYS A 60 -7.585 2.619 -0.120 1.00 0.00 C ATOM 904 CE LYS A 60 -9.082 2.863 -0.003 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.433 4.287 -0.261 1.00 0.00 N ATOM 0 H LYS A 60 -5.715 1.473 3.463 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.534 2.965 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.972 3.670 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.140 1.928 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.205 2.384 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.095 4.039 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.186 3.192 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.403 1.567 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.611 2.225 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.419 2.581 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.462 4.413 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.949 4.895 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.134 4.550 -1.222 1.00 0.00 H new ATOM 919 N VAL A 61 -4.322 5.109 3.170 1.00 0.00 N ATOM 920 CA VAL A 61 -4.664 6.293 3.950 1.00 0.00 C ATOM 921 C VAL A 61 -4.978 7.477 3.043 1.00 0.00 C ATOM 922 O VAL A 61 -4.232 7.773 2.110 1.00 0.00 O ATOM 923 CB VAL A 61 -3.522 6.683 4.907 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.782 8.051 5.520 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.351 5.628 5.990 1.00 0.00 C ATOM 0 H VAL A 61 -3.475 5.203 2.610 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.549 6.042 4.535 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.595 6.738 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.965 8.309 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.850 8.797 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.718 8.028 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.540 5.920 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.276 5.539 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.115 4.669 5.529 1.00 0.00 H new ATOM 935 N ASP A 62 -6.088 8.151 3.323 1.00 0.00 N ATOM 936 CA ASP A 62 -6.502 9.305 2.533 1.00 0.00 C ATOM 937 C ASP A 62 -6.122 10.607 3.232 1.00 0.00 C ATOM 938 O ASP A 62 -6.786 11.033 4.177 1.00 0.00 O ATOM 939 CB ASP A 62 -8.011 9.266 2.285 1.00 0.00 C ATOM 940 CG ASP A 62 -8.490 7.897 1.844 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.698 7.167 1.212 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.656 7.556 2.132 1.00 0.00 O ATOM 0 H ASP A 62 -6.717 7.918 4.091 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.983 9.263 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.534 9.554 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.270 10.001 1.523 1.00 0.00 H new ATOM 947 N VAL A 63 -5.048 11.234 2.762 1.00 0.00 N ATOM 948 CA VAL A 63 -4.580 12.487 3.342 1.00 0.00 C ATOM 949 C VAL A 63 -5.669 13.553 3.301 1.00 0.00 C ATOM 950 O VAL A 63 -5.549 14.604 3.930 1.00 0.00 O ATOM 951 CB VAL A 63 -3.333 13.014 2.606 1.00 0.00 C ATOM 952 CG1 VAL A 63 -2.233 11.963 2.598 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.690 13.435 1.189 1.00 0.00 C ATOM 0 H VAL A 63 -4.486 10.895 1.981 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.320 12.278 4.380 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.961 13.890 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.361 12.353 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.959 11.715 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.590 11.067 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.798 13.805 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.087 12.579 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.441 14.224 1.222 1.00 0.00 H new ATOM 963 N THR A 64 -6.735 13.274 2.557 1.00 0.00 N ATOM 964 CA THR A 64 -7.846 14.208 2.433 1.00 0.00 C ATOM 965 C THR A 64 -8.899 13.955 3.506 1.00 0.00 C ATOM 966 O THR A 64 -9.460 14.894 4.070 1.00 0.00 O ATOM 967 CB THR A 64 -8.509 14.112 1.046 1.00 0.00 C ATOM 968 OG1 THR A 64 -9.108 12.822 0.878 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.491 14.352 -0.059 1.00 0.00 C ATOM 0 H THR A 64 -6.852 12.408 2.031 1.00 0.00 H new ATOM 0 HA THR A 64 -7.433 15.209 2.561 1.00 0.00 H new ATOM 0 HB THR A 64 -9.279 14.881 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.529 12.769 -0.005 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.983 14.279 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.058 15.346 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.702 13.603 0.005 1.00 0.00 H new ATOM 977 N GLU A 65 -9.162 12.682 3.782 1.00 0.00 N ATOM 978 CA GLU A 65 -10.149 12.307 4.788 1.00 0.00 C ATOM 979 C GLU A 65 -9.536 12.330 6.186 1.00 0.00 C ATOM 980 O GLU A 65 -10.133 12.851 7.127 1.00 0.00 O ATOM 981 CB GLU A 65 -10.712 10.916 4.489 1.00 0.00 C ATOM 982 CG GLU A 65 -11.134 10.729 3.042 1.00 0.00 C ATOM 983 CD GLU A 65 -11.662 9.335 2.764 1.00 0.00 C ATOM 984 OE1 GLU A 65 -11.908 8.590 3.735 1.00 0.00 O ATOM 985 OE2 GLU A 65 -11.830 8.990 1.575 1.00 0.00 O ATOM 0 H GLU A 65 -8.706 11.893 3.324 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.960 13.034 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.960 10.167 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.570 10.734 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.903 11.461 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.283 10.928 2.391 1.00 0.00 H new ATOM 992 N GLN A 66 -8.342 11.761 6.312 1.00 0.00 N ATOM 993 CA GLN A 66 -7.649 11.715 7.594 1.00 0.00 C ATOM 994 C GLN A 66 -6.504 12.721 7.630 1.00 0.00 C ATOM 995 O GLN A 66 -5.372 12.424 7.247 1.00 0.00 O ATOM 996 CB GLN A 66 -7.115 10.306 7.858 1.00 0.00 C ATOM 997 CG GLN A 66 -8.195 9.236 7.863 1.00 0.00 C ATOM 998 CD GLN A 66 -8.884 9.108 9.207 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.267 9.303 10.255 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.170 8.778 9.185 1.00 0.00 N ATOM 0 H GLN A 66 -7.834 11.325 5.542 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.363 11.977 8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.374 10.059 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.601 10.296 8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.937 9.471 7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.752 8.277 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.642 8.626 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.686 8.677 10.059 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.802 13.941 8.102 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.810 15.016 8.199 1.00 0.00 C ATOM 1011 C PRO A 67 -4.768 14.746 9.279 1.00 0.00 C ATOM 1012 O PRO A 67 -3.619 15.172 9.167 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.651 16.242 8.562 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.858 15.688 9.236 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.130 14.364 8.576 1.00 0.00 C ATOM 0 HA PRO A 67 -5.241 15.131 7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.104 16.916 9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.921 16.814 7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.685 15.563 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.709 16.360 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.554 13.645 9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.838 14.463 7.753 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.176 14.036 10.326 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.265 13.722 11.411 1.00 0.00 C ATOM 1025 C GLY A 68 -3.205 12.717 11.005 1.00 0.00 C ATOM 1026 O GLY A 68 -2.010 13.016 11.040 1.00 0.00 O ATOM 0 H GLY A 68 -6.122 13.672 10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.782 14.638 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.832 13.327 12.254 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.640 11.523 10.620 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.719 10.470 10.207 1.00 0.00 C ATOM 1032 C LEU A 69 -1.578 11.041 9.372 1.00 0.00 C ATOM 1033 O LEU A 69 -0.445 10.564 9.442 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.464 9.398 9.409 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.047 8.241 10.220 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.959 7.387 9.353 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -2.934 7.395 10.820 1.00 0.00 C ATOM 0 H LEU A 69 -4.625 11.259 10.585 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.296 10.018 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.276 9.879 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.781 8.986 8.666 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.639 8.657 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.365 6.568 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.777 7.999 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.390 6.981 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.368 6.576 11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.314 6.989 10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.321 8.013 11.476 1.00 0.00 H new ATOM 1049 N SER A 70 -1.884 12.066 8.583 1.00 0.00 N ATOM 1050 CA SER A 70 -0.884 12.702 7.733 1.00 0.00 C ATOM 1051 C SER A 70 0.321 13.150 8.554 1.00 0.00 C ATOM 1052 O SER A 70 1.466 12.881 8.194 1.00 0.00 O ATOM 1053 CB SER A 70 -1.493 13.901 7.003 1.00 0.00 C ATOM 1054 OG SER A 70 -2.357 13.480 5.962 1.00 0.00 O ATOM 0 H SER A 70 -2.816 12.474 8.515 1.00 0.00 H new ATOM 0 HA SER A 70 -0.549 11.970 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.046 14.519 7.711 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.698 14.522 6.591 1.00 0.00 H new ATOM 0 HG SER A 70 -2.734 14.265 5.513 1.00 0.00 H new ATOM 1060 N GLY A 71 0.054 13.837 9.661 1.00 0.00 N ATOM 1061 CA GLY A 71 1.125 14.312 10.516 1.00 0.00 C ATOM 1062 C GLY A 71 1.642 13.236 11.450 1.00 0.00 C ATOM 1063 O GLY A 71 2.840 13.163 11.721 1.00 0.00 O ATOM 0 H GLY A 71 -0.886 14.073 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.945 14.676 9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.769 15.158 11.103 1.00 0.00 H new ATOM 1067 N ARG A 72 0.735 12.399 11.945 1.00 0.00 N ATOM 1068 CA ARG A 72 1.106 11.324 12.857 1.00 0.00 C ATOM 1069 C ARG A 72 2.286 10.528 12.308 1.00 0.00 C ATOM 1070 O ARG A 72 2.988 9.844 13.054 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.085 10.393 13.092 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.313 11.101 13.641 1.00 0.00 C ATOM 1073 CD ARG A 72 -2.439 10.121 13.931 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.152 9.288 15.096 1.00 0.00 N ATOM 1075 CZ ARG A 72 -2.681 8.084 15.286 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.519 7.576 14.393 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -2.371 7.386 16.371 1.00 0.00 N ATOM 0 H ARG A 72 -0.261 12.445 11.730 1.00 0.00 H new ATOM 0 HA ARG A 72 1.402 11.772 13.806 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.346 9.907 12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.211 9.606 13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.049 11.634 14.554 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.655 11.847 12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.365 10.671 14.098 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.599 9.485 13.061 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.511 9.650 15.802 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.759 8.110 13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.924 6.652 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.726 7.774 17.060 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.777 6.462 16.516 1.00 0.00 H new ATOM 1091 N PHE A 73 2.499 10.622 11.000 1.00 0.00 N ATOM 1092 CA PHE A 73 3.594 9.910 10.351 1.00 0.00 C ATOM 1093 C PHE A 73 4.577 10.887 9.714 1.00 0.00 C ATOM 1094 O PHE A 73 5.650 10.495 9.254 1.00 0.00 O ATOM 1095 CB PHE A 73 3.049 8.953 9.288 1.00 0.00 C ATOM 1096 CG PHE A 73 2.430 7.710 9.862 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.141 7.732 10.368 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.139 6.519 9.895 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.570 6.589 10.897 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.573 5.374 10.422 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.287 5.409 10.923 1.00 0.00 C ATOM 0 H PHE A 73 1.928 11.184 10.369 1.00 0.00 H new ATOM 0 HA PHE A 73 4.122 9.335 11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.305 9.476 8.687 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.859 8.669 8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.576 8.652 10.349 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.145 6.486 9.504 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.436 6.619 11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.136 4.453 10.442 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.842 4.515 11.335 1.00 0.00 H new ATOM 1111 N ILE A 74 4.202 12.162 9.690 1.00 0.00 N ATOM 1112 CA ILE A 74 5.050 13.196 9.110 1.00 0.00 C ATOM 1113 C ILE A 74 5.308 12.930 7.631 1.00 0.00 C ATOM 1114 O ILE A 74 6.456 12.900 7.186 1.00 0.00 O ATOM 1115 CB ILE A 74 6.400 13.295 9.845 1.00 0.00 C ATOM 1116 CG1 ILE A 74 6.191 13.190 11.357 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.102 14.597 9.491 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.203 11.768 11.872 1.00 0.00 C ATOM 0 H ILE A 74 3.317 12.503 10.065 1.00 0.00 H new ATOM 0 HA ILE A 74 4.516 14.140 9.219 1.00 0.00 H new ATOM 0 HB ILE A 74 7.032 12.466 9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.971 13.758 11.864 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.240 13.654 11.617 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.054 14.652 10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.280 14.634 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.476 15.439 9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.049 11.771 12.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.405 11.201 11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.164 11.306 11.644 1.00 0.00 H new ATOM 1130 N ILE A 75 4.233 12.740 6.873 1.00 0.00 N ATOM 1131 CA ILE A 75 4.343 12.480 5.443 1.00 0.00 C ATOM 1132 C ILE A 75 4.430 13.781 4.653 1.00 0.00 C ATOM 1133 O ILE A 75 3.432 14.479 4.476 1.00 0.00 O ATOM 1134 CB ILE A 75 3.148 11.657 4.927 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.946 10.411 5.792 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.360 11.269 3.471 1.00 0.00 C ATOM 1137 CD1 ILE A 75 4.032 9.373 5.618 1.00 0.00 C ATOM 0 H ILE A 75 3.276 12.761 7.226 1.00 0.00 H new ATOM 0 HA ILE A 75 5.258 11.907 5.296 1.00 0.00 H new ATOM 0 HB ILE A 75 2.249 12.271 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.904 10.709 6.840 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.983 9.962 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.507 10.688 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.458 12.170 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.267 10.671 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.824 8.518 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.060 9.047 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.995 9.805 5.889 1.00 0.00 H new ATOM 1149 N ASN A 76 5.629 14.100 4.178 1.00 0.00 N ATOM 1150 CA ASN A 76 5.846 15.317 3.404 1.00 0.00 C ATOM 1151 C ASN A 76 5.749 15.035 1.908 1.00 0.00 C ATOM 1152 O ASN A 76 4.991 15.689 1.192 1.00 0.00 O ATOM 1153 CB ASN A 76 7.214 15.918 3.733 1.00 0.00 C ATOM 1154 CG ASN A 76 7.491 15.943 5.224 1.00 0.00 C ATOM 1155 OD1 ASN A 76 7.193 16.923 5.906 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.066 14.861 5.737 1.00 0.00 N ATOM 0 H ASN A 76 6.466 13.533 4.315 1.00 0.00 H new ATOM 0 HA ASN A 76 5.068 16.032 3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.991 15.341 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.266 16.933 3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.278 14.820 6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.296 14.071 5.134 1.00 0.00 H new ATOM 1163 N ALA A 77 6.520 14.058 1.444 1.00 0.00 N ATOM 1164 CA ALA A 77 6.519 13.688 0.034 1.00 0.00 C ATOM 1165 C ALA A 77 5.553 12.538 -0.231 1.00 0.00 C ATOM 1166 O ALA A 77 5.271 11.733 0.658 1.00 0.00 O ATOM 1167 CB ALA A 77 7.924 13.313 -0.414 1.00 0.00 C ATOM 0 H ALA A 77 7.154 13.508 2.024 1.00 0.00 H new ATOM 0 HA ALA A 77 6.183 14.550 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.909 13.039 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.591 14.163 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.280 12.468 0.175 1.00 0.00 H new ATOM 1173 N LEU A 78 5.047 12.467 -1.457 1.00 0.00 N ATOM 1174 CA LEU A 78 4.111 11.415 -1.839 1.00 0.00 C ATOM 1175 C LEU A 78 4.347 10.972 -3.279 1.00 0.00 C ATOM 1176 O LEU A 78 4.829 11.735 -4.118 1.00 0.00 O ATOM 1177 CB LEU A 78 2.671 11.902 -1.673 1.00 0.00 C ATOM 1178 CG LEU A 78 2.230 12.220 -0.244 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.177 13.318 -0.241 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.701 10.969 0.442 1.00 0.00 C ATOM 0 H LEU A 78 5.269 13.125 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 78 4.277 10.560 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.539 12.798 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.003 11.142 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 78 3.097 12.576 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.876 13.530 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.591 14.220 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.309 12.991 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.392 11.214 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.847 10.583 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.485 10.212 0.474 1.00 0.00 H new ATOM 1192 N PRO A 79 3.999 9.711 -3.576 1.00 0.00 N ATOM 1193 CA PRO A 79 3.426 8.795 -2.586 1.00 0.00 C ATOM 1194 C PRO A 79 4.443 8.370 -1.532 1.00 0.00 C ATOM 1195 O PRO A 79 5.638 8.635 -1.664 1.00 0.00 O ATOM 1196 CB PRO A 79 2.992 7.591 -3.426 1.00 0.00 C ATOM 1197 CG PRO A 79 3.875 7.629 -4.625 1.00 0.00 C ATOM 1198 CD PRO A 79 4.139 9.083 -4.900 1.00 0.00 C ATOM 0 HA PRO A 79 2.613 9.257 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.113 6.659 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.941 7.661 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.805 7.092 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.394 7.152 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.134 9.239 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.427 9.492 -5.616 1.00 0.00 H new ATOM 1206 N THR A 80 3.961 7.709 -0.484 1.00 0.00 N ATOM 1207 CA THR A 80 4.827 7.248 0.594 1.00 0.00 C ATOM 1208 C THR A 80 4.237 6.028 1.291 1.00 0.00 C ATOM 1209 O THR A 80 3.167 6.105 1.896 1.00 0.00 O ATOM 1210 CB THR A 80 5.065 8.357 1.637 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.873 9.396 1.072 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.745 7.796 2.877 1.00 0.00 C ATOM 0 H THR A 80 2.975 7.481 -0.359 1.00 0.00 H new ATOM 0 HA THR A 80 5.780 6.977 0.139 1.00 0.00 H new ATOM 0 HB THR A 80 4.097 8.767 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.332 10.205 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.903 8.597 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.114 7.026 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.706 7.362 2.600 1.00 0.00 H new ATOM 1220 N ILE A 81 4.940 4.904 1.203 1.00 0.00 N ATOM 1221 CA ILE A 81 4.485 3.669 1.828 1.00 0.00 C ATOM 1222 C ILE A 81 5.234 3.402 3.129 1.00 0.00 C ATOM 1223 O ILE A 81 6.442 3.622 3.218 1.00 0.00 O ATOM 1224 CB ILE A 81 4.666 2.463 0.888 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.886 2.678 -0.410 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.216 1.182 1.576 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.460 1.930 -1.592 1.00 0.00 C ATOM 0 H ILE A 81 5.827 4.823 0.705 1.00 0.00 H new ATOM 0 HA ILE A 81 3.424 3.797 2.043 1.00 0.00 H new ATOM 0 HB ILE A 81 5.724 2.369 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.853 2.365 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.866 3.743 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.350 0.339 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.811 1.023 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.164 1.265 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.856 2.130 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.484 2.260 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.455 0.860 -1.383 1.00 0.00 H new ATOM 1239 N TYR A 82 4.510 2.925 4.135 1.00 0.00 N ATOM 1240 CA TYR A 82 5.105 2.628 5.433 1.00 0.00 C ATOM 1241 C TYR A 82 4.777 1.204 5.870 1.00 0.00 C ATOM 1242 O TYR A 82 3.610 0.817 5.941 1.00 0.00 O ATOM 1243 CB TYR A 82 4.611 3.623 6.484 1.00 0.00 C ATOM 1244 CG TYR A 82 5.531 4.808 6.676 1.00 0.00 C ATOM 1245 CD1 TYR A 82 5.611 5.812 5.718 1.00 0.00 C ATOM 1246 CD2 TYR A 82 6.320 4.923 7.813 1.00 0.00 C ATOM 1247 CE1 TYR A 82 6.451 6.896 5.889 1.00 0.00 C ATOM 1248 CE2 TYR A 82 7.161 6.004 7.993 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.223 6.988 7.028 1.00 0.00 C ATOM 1250 OH TYR A 82 8.061 8.066 7.202 1.00 0.00 O ATOM 0 H TYR A 82 3.509 2.735 4.077 1.00 0.00 H new ATOM 0 HA TYR A 82 6.187 2.719 5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.624 3.983 6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.495 3.105 7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.007 5.744 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.275 4.154 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.503 7.667 5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.767 6.078 8.884 1.00 0.00 H new ATOM 0 HH TYR A 82 8.533 7.979 8.056 1.00 0.00 H new ATOM 1260 N HIS A 83 5.815 0.428 6.164 1.00 0.00 N ATOM 1261 CA HIS A 83 5.638 -0.954 6.596 1.00 0.00 C ATOM 1262 C HIS A 83 5.622 -1.049 8.119 1.00 0.00 C ATOM 1263 O HIS A 83 6.627 -0.780 8.778 1.00 0.00 O ATOM 1264 CB HIS A 83 6.753 -1.834 6.030 1.00 0.00 C ATOM 1265 CG HIS A 83 6.666 -3.265 6.464 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.569 -3.846 7.329 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.773 -4.233 6.149 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.237 -5.109 7.526 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.150 -5.369 6.821 1.00 0.00 N ATOM 0 H HIS A 83 6.787 0.732 6.111 1.00 0.00 H new ATOM 0 HA HIS A 83 4.679 -1.307 6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.721 -1.791 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.717 -1.428 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.922 -4.130 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.764 -5.810 8.156 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.669 -6.268 6.782 1.00 0.00 H new ATOM 1278 N CYS A 84 4.476 -1.432 8.670 1.00 0.00 N ATOM 1279 CA CYS A 84 4.329 -1.561 10.116 1.00 0.00 C ATOM 1280 C CYS A 84 4.473 -3.017 10.549 1.00 0.00 C ATOM 1281 O CYS A 84 3.679 -3.873 10.159 1.00 0.00 O ATOM 1282 CB CYS A 84 2.972 -1.015 10.562 1.00 0.00 C ATOM 1283 SG CYS A 84 2.837 -0.740 12.344 1.00 0.00 S ATOM 0 H CYS A 84 3.635 -1.659 8.138 1.00 0.00 H new ATOM 0 HA CYS A 84 5.120 -0.980 10.591 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.783 -0.074 10.045 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.193 -1.711 10.252 1.00 0.00 H new ATOM 0 HG CYS A 84 3.299 0.439 12.637 1.00 0.00 H new ATOM 1289 N LYS A 85 5.491 -3.290 11.358 1.00 0.00 N ATOM 1290 CA LYS A 85 5.740 -4.641 11.845 1.00 0.00 C ATOM 1291 C LYS A 85 5.819 -4.665 13.368 1.00 0.00 C ATOM 1292 O LYS A 85 6.680 -4.017 13.964 1.00 0.00 O ATOM 1293 CB LYS A 85 7.039 -5.189 11.248 1.00 0.00 C ATOM 1294 CG LYS A 85 7.301 -6.645 11.594 1.00 0.00 C ATOM 1295 CD LYS A 85 8.488 -7.197 10.823 1.00 0.00 C ATOM 1296 CE LYS A 85 8.556 -8.713 10.915 1.00 0.00 C ATOM 1297 NZ LYS A 85 7.465 -9.365 10.138 1.00 0.00 N ATOM 0 H LYS A 85 6.157 -2.593 11.690 1.00 0.00 H new ATOM 0 HA LYS A 85 4.908 -5.272 11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.004 -5.083 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.875 -4.584 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.486 -6.738 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.414 -7.238 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.415 -6.898 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.410 -6.766 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.522 -9.056 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.490 -9.017 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.028 -10.113 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.746 -8.657 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.858 -9.781 9.270 1.00 0.00 H new ATOM 1311 N ASP A 86 4.917 -5.415 13.991 1.00 0.00 N ATOM 1312 CA ASP A 86 4.887 -5.525 15.445 1.00 0.00 C ATOM 1313 C ASP A 86 5.151 -4.172 16.097 1.00 0.00 C ATOM 1314 O ASP A 86 5.830 -4.086 17.120 1.00 0.00 O ATOM 1315 CB ASP A 86 5.920 -6.546 15.922 1.00 0.00 C ATOM 1316 CG ASP A 86 5.526 -7.200 17.232 1.00 0.00 C ATOM 1317 OD1 ASP A 86 5.518 -6.499 18.266 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.226 -8.412 17.224 1.00 0.00 O ATOM 0 H ASP A 86 4.197 -5.956 13.512 1.00 0.00 H new ATOM 0 HA ASP A 86 3.893 -5.862 15.739 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.046 -7.314 15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.885 -6.054 16.041 1.00 0.00 H new ATOM 1323 N GLY A 87 4.610 -3.115 15.498 1.00 0.00 N ATOM 1324 CA GLY A 87 4.800 -1.780 16.034 1.00 0.00 C ATOM 1325 C GLY A 87 5.838 -0.988 15.265 1.00 0.00 C ATOM 1326 O GLY A 87 5.625 0.180 14.945 1.00 0.00 O ATOM 0 H GLY A 87 4.043 -3.160 14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.851 -1.245 16.013 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.103 -1.851 17.079 1.00 0.00 H new ATOM 1330 N GLU A 88 6.967 -1.626 14.969 1.00 0.00 N ATOM 1331 CA GLU A 88 8.043 -0.972 14.235 1.00 0.00 C ATOM 1332 C GLU A 88 7.544 -0.446 12.892 1.00 0.00 C ATOM 1333 O GLU A 88 6.529 -0.908 12.370 1.00 0.00 O ATOM 1334 CB GLU A 88 9.204 -1.944 14.015 1.00 0.00 C ATOM 1335 CG GLU A 88 9.859 -2.412 15.304 1.00 0.00 C ATOM 1336 CD GLU A 88 10.209 -1.264 16.231 1.00 0.00 C ATOM 1337 OE1 GLU A 88 9.285 -0.705 16.858 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.406 -0.924 16.328 1.00 0.00 O ATOM 0 H GLU A 88 7.159 -2.594 15.226 1.00 0.00 H new ATOM 0 HA GLU A 88 8.393 -0.128 14.829 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.840 -2.813 13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.956 -1.463 13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.188 -3.099 15.820 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.764 -2.970 15.065 1.00 0.00 H new ATOM 1345 N PHE A 89 8.265 0.523 12.337 1.00 0.00 N ATOM 1346 CA PHE A 89 7.896 1.113 11.056 1.00 0.00 C ATOM 1347 C PHE A 89 9.101 1.184 10.123 1.00 0.00 C ATOM 1348 O PHE A 89 10.247 1.212 10.572 1.00 0.00 O ATOM 1349 CB PHE A 89 7.315 2.513 11.264 1.00 0.00 C ATOM 1350 CG PHE A 89 5.894 2.505 11.752 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.858 2.153 10.902 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.595 2.852 13.060 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.549 2.144 11.348 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.288 2.845 13.511 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.264 2.492 12.654 1.00 0.00 C ATOM 0 H PHE A 89 9.108 0.916 12.755 1.00 0.00 H new ATOM 0 HA PHE A 89 7.139 0.478 10.596 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.934 3.052 11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.365 3.062 10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.075 1.883 9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.391 3.131 13.734 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.751 1.865 10.676 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.068 3.115 14.533 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.242 2.488 13.004 1.00 0.00 H new ATOM 1365 N ARG A 90 8.833 1.213 8.821 1.00 0.00 N ATOM 1366 CA ARG A 90 9.895 1.279 7.824 1.00 0.00 C ATOM 1367 C ARG A 90 9.389 1.915 6.533 1.00 0.00 C ATOM 1368 O ARG A 90 8.501 1.378 5.871 1.00 0.00 O ATOM 1369 CB ARG A 90 10.440 -0.121 7.536 1.00 0.00 C ATOM 1370 CG ARG A 90 11.249 -0.708 8.681 1.00 0.00 C ATOM 1371 CD ARG A 90 11.751 -2.104 8.351 1.00 0.00 C ATOM 1372 NE ARG A 90 12.476 -2.704 9.468 1.00 0.00 N ATOM 1373 CZ ARG A 90 11.883 -3.352 10.465 1.00 0.00 C ATOM 1374 NH1 ARG A 90 10.564 -3.484 10.483 1.00 0.00 N ATOM 1375 NH2 ARG A 90 12.611 -3.871 11.446 1.00 0.00 N ATOM 0 H ARG A 90 7.890 1.192 8.432 1.00 0.00 H new ATOM 0 HA ARG A 90 10.697 1.899 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.607 -0.787 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.065 -0.082 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.096 -0.058 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.635 -0.745 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.906 -2.739 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.403 -2.058 7.479 1.00 0.00 H new ATOM 0 HE ARG A 90 13.493 -2.621 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.001 -3.088 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.112 -3.982 11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.626 -3.772 11.435 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.155 -4.368 12.211 1.00 0.00 H new ATOM 1389 N ARG A 91 9.959 3.063 6.182 1.00 0.00 N ATOM 1390 CA ARG A 91 9.564 3.774 4.972 1.00 0.00 C ATOM 1391 C ARG A 91 9.996 3.006 3.726 1.00 0.00 C ATOM 1392 O ARG A 91 11.174 2.693 3.555 1.00 0.00 O ATOM 1393 CB ARG A 91 10.174 5.177 4.957 1.00 0.00 C ATOM 1394 CG ARG A 91 9.945 5.927 3.655 1.00 0.00 C ATOM 1395 CD ARG A 91 10.266 7.406 3.800 1.00 0.00 C ATOM 1396 NE ARG A 91 10.384 8.070 2.504 1.00 0.00 N ATOM 1397 CZ ARG A 91 11.017 9.224 2.325 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.585 9.839 3.354 1.00 0.00 N ATOM 1399 NH2 ARG A 91 11.082 9.766 1.116 1.00 0.00 N ATOM 0 H ARG A 91 10.696 3.521 6.718 1.00 0.00 H new ATOM 0 HA ARG A 91 8.477 3.858 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.753 5.756 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.246 5.100 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.566 5.494 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.908 5.808 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.485 7.891 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.198 7.522 4.353 1.00 0.00 H new ATOM 0 HE ARG A 91 9.957 7.623 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.536 9.426 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.070 10.725 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.646 9.297 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.568 10.652 0.980 1.00 0.00 H new ATOM 1413 N TYR A 92 9.035 2.707 2.859 1.00 0.00 N ATOM 1414 CA TYR A 92 9.315 1.973 1.631 1.00 0.00 C ATOM 1415 C TYR A 92 10.297 2.740 0.750 1.00 0.00 C ATOM 1416 O TYR A 92 9.979 3.811 0.235 1.00 0.00 O ATOM 1417 CB TYR A 92 8.019 1.713 0.861 1.00 0.00 C ATOM 1418 CG TYR A 92 8.130 0.596 -0.152 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.046 -0.735 0.239 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.318 0.871 -1.501 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.148 -1.758 -0.683 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.420 -0.146 -2.430 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.335 -1.459 -2.016 1.00 0.00 C ATOM 1424 OH TYR A 92 8.436 -2.476 -2.938 1.00 0.00 O ATOM 0 H TYR A 92 8.055 2.962 2.984 1.00 0.00 H new ATOM 0 HA TYR A 92 9.767 1.019 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.227 1.472 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.721 2.628 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.898 -0.973 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.386 1.898 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.082 -2.787 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.566 0.086 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 92 8.996 -2.184 -3.688 1.00 0.00 H new ATOM 1434 N GLN A 93 11.491 2.181 0.583 1.00 0.00 N ATOM 1435 CA GLN A 93 12.521 2.812 -0.235 1.00 0.00 C ATOM 1436 C GLN A 93 12.706 2.062 -1.550 1.00 0.00 C ATOM 1437 O GLN A 93 13.827 1.736 -1.938 1.00 0.00 O ATOM 1438 CB GLN A 93 13.846 2.864 0.527 1.00 0.00 C ATOM 1439 CG GLN A 93 13.801 3.743 1.766 1.00 0.00 C ATOM 1440 CD GLN A 93 15.176 4.215 2.197 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.104 3.417 2.336 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.315 5.518 2.411 1.00 0.00 N ATOM 0 H GLN A 93 11.769 1.294 1.002 1.00 0.00 H new ATOM 0 HA GLN A 93 12.199 3.829 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.127 1.852 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.625 3.231 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.169 4.609 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.338 3.189 2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.519 6.143 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.217 5.894 2.703 1.00 0.00 H new ATOM 1451 N GLY A 94 11.598 1.792 -2.234 1.00 0.00 N ATOM 1452 CA GLY A 94 11.660 1.083 -3.498 1.00 0.00 C ATOM 1453 C GLY A 94 10.950 1.823 -4.614 1.00 0.00 C ATOM 1454 O GLY A 94 10.364 2.886 -4.408 1.00 0.00 O ATOM 0 H GLY A 94 10.658 2.052 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.703 0.930 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.213 0.096 -3.379 1.00 0.00 H new ATOM 1458 N PRO A 95 10.999 1.258 -5.829 1.00 0.00 N ATOM 1459 CA PRO A 95 10.362 1.856 -7.007 1.00 0.00 C ATOM 1460 C PRO A 95 8.840 1.798 -6.934 1.00 0.00 C ATOM 1461 O PRO A 95 8.148 2.295 -7.822 1.00 0.00 O ATOM 1462 CB PRO A 95 10.875 0.994 -8.163 1.00 0.00 C ATOM 1463 CG PRO A 95 11.205 -0.318 -7.540 1.00 0.00 C ATOM 1464 CD PRO A 95 11.680 -0.008 -6.148 1.00 0.00 C ATOM 0 HA PRO A 95 10.602 2.915 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.119 0.884 -8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.752 1.441 -8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.332 -0.970 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.976 -0.837 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.410 -0.797 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.764 0.098 -6.108 1.00 0.00 H new ATOM 1472 N ARG A 96 8.326 1.190 -5.870 1.00 0.00 N ATOM 1473 CA ARG A 96 6.885 1.067 -5.683 1.00 0.00 C ATOM 1474 C ARG A 96 6.258 0.246 -6.806 1.00 0.00 C ATOM 1475 O ARG A 96 5.187 0.582 -7.312 1.00 0.00 O ATOM 1476 CB ARG A 96 6.237 2.452 -5.626 1.00 0.00 C ATOM 1477 CG ARG A 96 6.574 3.231 -4.365 1.00 0.00 C ATOM 1478 CD ARG A 96 6.084 4.668 -4.450 1.00 0.00 C ATOM 1479 NE ARG A 96 7.089 5.556 -5.029 1.00 0.00 N ATOM 1480 CZ ARG A 96 8.063 6.121 -4.324 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.163 5.891 -3.022 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.940 6.917 -4.922 1.00 0.00 N ATOM 0 H ARG A 96 8.885 0.775 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 96 6.709 0.552 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.555 3.028 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.155 2.341 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.122 2.742 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.653 3.222 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.176 4.706 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.820 5.021 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 96 7.040 5.753 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.491 5.279 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.912 6.326 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.867 7.095 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.688 7.351 -4.380 1.00 0.00 H new ATOM 1496 N THR A 97 6.934 -0.832 -7.192 1.00 0.00 N ATOM 1497 CA THR A 97 6.445 -1.700 -8.255 1.00 0.00 C ATOM 1498 C THR A 97 5.963 -3.035 -7.698 1.00 0.00 C ATOM 1499 O THR A 97 6.509 -3.545 -6.720 1.00 0.00 O ATOM 1500 CB THR A 97 7.534 -1.961 -9.313 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.670 -2.584 -8.703 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.960 -0.663 -9.982 1.00 0.00 C ATOM 0 H THR A 97 7.822 -1.124 -6.784 1.00 0.00 H new ATOM 0 HA THR A 97 5.609 -1.183 -8.725 1.00 0.00 H new ATOM 0 HB THR A 97 7.120 -2.624 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.357 -2.748 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.730 -0.872 -10.725 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.099 -0.206 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.357 0.020 -9.231 1.00 0.00 H new ATOM 1510 N LYS A 98 4.937 -3.598 -8.327 1.00 0.00 N ATOM 1511 CA LYS A 98 4.382 -4.875 -7.896 1.00 0.00 C ATOM 1512 C LYS A 98 5.493 -5.872 -7.581 1.00 0.00 C ATOM 1513 O LYS A 98 5.691 -6.252 -6.427 1.00 0.00 O ATOM 1514 CB LYS A 98 3.462 -5.446 -8.978 1.00 0.00 C ATOM 1515 CG LYS A 98 2.320 -6.282 -8.426 1.00 0.00 C ATOM 1516 CD LYS A 98 1.913 -7.379 -9.395 1.00 0.00 C ATOM 1517 CE LYS A 98 2.937 -8.503 -9.428 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.616 -9.516 -10.472 1.00 0.00 N ATOM 0 H LYS A 98 4.473 -3.189 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 98 3.803 -4.704 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.050 -4.624 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.053 -6.058 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.619 -6.726 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.463 -5.640 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.941 -7.779 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.800 -6.959 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.927 -8.087 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.976 -8.987 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.337 -10.265 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.683 -9.931 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.604 -9.060 -11.406 1.00 0.00 H new ATOM 1532 N LYS A 99 6.215 -6.292 -8.614 1.00 0.00 N ATOM 1533 CA LYS A 99 7.308 -7.243 -8.448 1.00 0.00 C ATOM 1534 C LYS A 99 8.138 -6.908 -7.213 1.00 0.00 C ATOM 1535 O LYS A 99 8.262 -7.721 -6.298 1.00 0.00 O ATOM 1536 CB LYS A 99 8.201 -7.247 -9.691 1.00 0.00 C ATOM 1537 CG LYS A 99 9.491 -8.028 -9.510 1.00 0.00 C ATOM 1538 CD LYS A 99 10.654 -7.113 -9.163 1.00 0.00 C ATOM 1539 CE LYS A 99 11.647 -7.801 -8.239 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.694 -8.537 -9.000 1.00 0.00 N ATOM 0 H LYS A 99 6.063 -5.989 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 99 6.876 -8.235 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.644 -7.670 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.443 -6.218 -9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.361 -8.768 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.718 -8.575 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.160 -6.803 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.277 -6.209 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.120 -7.058 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.116 -8.495 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.351 -8.992 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.245 -9.263 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.218 -7.871 -9.603 1.00 0.00 H new ATOM 1554 N ASP A 100 8.703 -5.705 -7.194 1.00 0.00 N ATOM 1555 CA ASP A 100 9.519 -5.262 -6.070 1.00 0.00 C ATOM 1556 C ASP A 100 8.834 -5.576 -4.744 1.00 0.00 C ATOM 1557 O ASP A 100 9.370 -6.313 -3.916 1.00 0.00 O ATOM 1558 CB ASP A 100 9.794 -3.761 -6.174 1.00 0.00 C ATOM 1559 CG ASP A 100 10.850 -3.296 -5.190 1.00 0.00 C ATOM 1560 OD1 ASP A 100 12.016 -3.724 -5.325 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.511 -2.506 -4.285 1.00 0.00 O ATOM 0 H ASP A 100 8.611 -5.020 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 100 10.466 -5.801 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.116 -3.523 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.869 -3.212 -5.996 1.00 0.00 H new ATOM 1566 N PHE A 101 7.647 -5.011 -4.548 1.00 0.00 N ATOM 1567 CA PHE A 101 6.889 -5.229 -3.322 1.00 0.00 C ATOM 1568 C PHE A 101 7.059 -6.661 -2.825 1.00 0.00 C ATOM 1569 O PHE A 101 7.547 -6.892 -1.718 1.00 0.00 O ATOM 1570 CB PHE A 101 5.407 -4.929 -3.553 1.00 0.00 C ATOM 1571 CG PHE A 101 5.094 -3.461 -3.613 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.630 -2.587 -2.681 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.265 -2.956 -4.601 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.343 -1.236 -2.734 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.974 -1.606 -4.659 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.516 -0.744 -3.724 1.00 0.00 C ATOM 0 H PHE A 101 7.189 -4.398 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 101 7.275 -4.551 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.091 -5.398 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.823 -5.384 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.279 -2.965 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.841 -3.625 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.766 -0.565 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.324 -1.225 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.293 0.312 -3.768 1.00 0.00 H new ATOM 1586 N ILE A 102 6.652 -7.620 -3.651 1.00 0.00 N ATOM 1587 CA ILE A 102 6.759 -9.029 -3.296 1.00 0.00 C ATOM 1588 C ILE A 102 7.991 -9.288 -2.436 1.00 0.00 C ATOM 1589 O ILE A 102 7.879 -9.659 -1.269 1.00 0.00 O ATOM 1590 CB ILE A 102 6.825 -9.922 -4.550 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.452 -9.997 -5.222 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.320 -11.313 -4.184 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.261 -8.978 -6.323 1.00 0.00 C ATOM 0 H ILE A 102 6.245 -7.446 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 102 5.863 -9.280 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 102 7.530 -9.482 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.313 -10.996 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.679 -9.853 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.361 -11.932 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.316 -11.241 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.638 -11.764 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.266 -9.090 -6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.368 -7.974 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.011 -9.135 -7.098 1.00 0.00 H new ATOM 1605 N ASN A 103 9.168 -9.087 -3.022 1.00 0.00 N ATOM 1606 CA ASN A 103 10.422 -9.297 -2.309 1.00 0.00 C ATOM 1607 C ASN A 103 10.409 -8.581 -0.962 1.00 0.00 C ATOM 1608 O ASN A 103 10.703 -9.178 0.074 1.00 0.00 O ATOM 1609 CB ASN A 103 11.600 -8.803 -3.151 1.00 0.00 C ATOM 1610 CG ASN A 103 11.861 -9.686 -4.356 1.00 0.00 C ATOM 1611 OD1 ASN A 103 12.503 -10.731 -4.246 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.363 -9.269 -5.514 1.00 0.00 N ATOM 0 H ASN A 103 9.278 -8.779 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 103 10.535 -10.366 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.402 -7.785 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.496 -8.765 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.506 -9.822 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.837 -8.396 -5.558 1.00 0.00 H new ATOM 1619 N PHE A 104 10.066 -7.297 -0.984 1.00 0.00 N ATOM 1620 CA PHE A 104 10.014 -6.498 0.235 1.00 0.00 C ATOM 1621 C PHE A 104 9.261 -7.237 1.337 1.00 0.00 C ATOM 1622 O PHE A 104 9.443 -6.956 2.523 1.00 0.00 O ATOM 1623 CB PHE A 104 9.345 -5.150 -0.042 1.00 0.00 C ATOM 1624 CG PHE A 104 9.256 -4.266 1.169 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.405 -3.788 1.780 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.025 -3.913 1.697 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.327 -2.974 2.894 1.00 0.00 C ATOM 1628 CE2 PHE A 104 7.941 -3.098 2.810 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.093 -2.629 3.410 1.00 0.00 C ATOM 0 H PHE A 104 9.820 -6.788 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 104 11.036 -6.325 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.902 -4.630 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.341 -5.324 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.372 -4.055 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.121 -4.279 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.230 -2.608 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.975 -2.828 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.029 -1.994 4.281 1.00 0.00 H new ATOM 1639 N ILE A 105 8.415 -8.180 0.938 1.00 0.00 N ATOM 1640 CA ILE A 105 7.635 -8.959 1.892 1.00 0.00 C ATOM 1641 C ILE A 105 8.230 -10.350 2.083 1.00 0.00 C ATOM 1642 O ILE A 105 8.622 -10.722 3.189 1.00 0.00 O ATOM 1643 CB ILE A 105 6.169 -9.098 1.440 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.548 -7.717 1.221 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.371 -9.888 2.466 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.527 -6.859 2.467 1.00 0.00 C ATOM 0 H ILE A 105 8.252 -8.423 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 105 7.666 -8.420 2.839 1.00 0.00 H new ATOM 0 HB ILE A 105 6.145 -9.641 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.104 -7.197 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.528 -7.840 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.337 -9.978 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.804 -10.882 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.399 -9.371 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.073 -5.895 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.946 -7.358 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.547 -6.705 2.820 1.00 0.00 H new ATOM 1658 N SER A 106 8.297 -11.113 0.997 1.00 0.00 N ATOM 1659 CA SER A 106 8.843 -12.465 1.045 1.00 0.00 C ATOM 1660 C SER A 106 10.320 -12.441 1.426 1.00 0.00 C ATOM 1661 O SER A 106 10.753 -13.167 2.321 1.00 0.00 O ATOM 1662 CB SER A 106 8.665 -13.158 -0.308 1.00 0.00 C ATOM 1663 OG SER A 106 9.230 -12.387 -1.354 1.00 0.00 O ATOM 0 H SER A 106 7.980 -10.819 0.073 1.00 0.00 H new ATOM 0 HA SER A 106 8.298 -13.024 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.136 -14.141 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.604 -13.318 -0.502 1.00 0.00 H new ATOM 0 HG SER A 106 8.724 -11.554 -1.456 1.00 0.00 H new ATOM 1669 N ASP A 107 11.088 -11.601 0.740 1.00 0.00 N ATOM 1670 CA ASP A 107 12.516 -11.480 1.006 1.00 0.00 C ATOM 1671 C ASP A 107 12.769 -10.606 2.230 1.00 0.00 C ATOM 1672 O ASP A 107 13.904 -10.215 2.505 1.00 0.00 O ATOM 1673 CB ASP A 107 13.236 -10.896 -0.210 1.00 0.00 C ATOM 1674 CG ASP A 107 13.713 -11.968 -1.170 1.00 0.00 C ATOM 1675 OD1 ASP A 107 14.159 -13.034 -0.695 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.642 -11.742 -2.397 1.00 0.00 O ATOM 0 H ASP A 107 10.745 -10.994 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 107 12.908 -12.477 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.565 -10.216 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.089 -10.307 0.125 1.00 0.00 H new ATOM 1681 N LYS A 108 11.704 -10.300 2.963 1.00 0.00 N ATOM 1682 CA LYS A 108 11.808 -9.472 4.158 1.00 0.00 C ATOM 1683 C LYS A 108 12.906 -8.424 4.000 1.00 0.00 C ATOM 1684 O LYS A 108 13.632 -8.125 4.948 1.00 0.00 O ATOM 1685 CB LYS A 108 12.093 -10.342 5.384 1.00 0.00 C ATOM 1686 CG LYS A 108 10.945 -11.267 5.753 1.00 0.00 C ATOM 1687 CD LYS A 108 11.426 -12.453 6.571 1.00 0.00 C ATOM 1688 CE LYS A 108 11.825 -13.620 5.680 1.00 0.00 C ATOM 1689 NZ LYS A 108 12.130 -14.844 6.472 1.00 0.00 N ATOM 0 H LYS A 108 10.757 -10.614 2.750 1.00 0.00 H new ATOM 0 HA LYS A 108 10.856 -8.959 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.984 -10.940 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.316 -9.696 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.197 -10.712 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.458 -11.623 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.277 -12.153 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.638 -12.769 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.019 -13.833 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.698 -13.343 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.398 -15.616 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.916 -14.649 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.289 -15.123 7.017 1.00 0.00 H new ATOM 1703 N GLU A 109 13.020 -7.870 2.797 1.00 0.00 N ATOM 1704 CA GLU A 109 14.029 -6.855 2.517 1.00 0.00 C ATOM 1705 C GLU A 109 13.941 -5.708 3.520 1.00 0.00 C ATOM 1706 O GLU A 109 14.930 -5.027 3.788 1.00 0.00 O ATOM 1707 CB GLU A 109 13.861 -6.317 1.094 1.00 0.00 C ATOM 1708 CG GLU A 109 13.933 -7.393 0.024 1.00 0.00 C ATOM 1709 CD GLU A 109 15.338 -7.592 -0.510 1.00 0.00 C ATOM 1710 OE1 GLU A 109 16.210 -8.039 0.264 1.00 0.00 O ATOM 1711 OE2 GLU A 109 15.565 -7.301 -1.704 1.00 0.00 O ATOM 0 H GLU A 109 12.427 -8.107 2.002 1.00 0.00 H new ATOM 0 HA GLU A 109 15.011 -7.320 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.901 -5.806 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.634 -5.573 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.568 -8.334 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.270 -7.127 -0.799 1.00 0.00 H new ATOM 1718 N TRP A 110 12.749 -5.501 4.069 1.00 0.00 N ATOM 1719 CA TRP A 110 12.531 -4.436 5.041 1.00 0.00 C ATOM 1720 C TRP A 110 13.591 -4.475 6.137 1.00 0.00 C ATOM 1721 O TRP A 110 13.994 -3.436 6.661 1.00 0.00 O ATOM 1722 CB TRP A 110 11.137 -4.559 5.659 1.00 0.00 C ATOM 1723 CG TRP A 110 10.870 -5.906 6.260 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.191 -6.941 5.684 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.276 -6.361 7.556 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.151 -8.013 6.543 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.809 -7.683 7.698 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.989 -5.782 8.608 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.033 -8.431 8.850 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.210 -6.526 9.752 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.734 -7.839 9.865 1.00 0.00 C ATOM 0 H TRP A 110 11.920 -6.056 3.858 1.00 0.00 H new ATOM 0 HA TRP A 110 12.607 -3.481 4.520 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.020 -3.796 6.429 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.389 -4.356 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.750 -6.920 4.698 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.704 -8.909 6.351 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.361 -4.771 8.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.666 -9.443 8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.759 -6.088 10.572 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.924 -8.395 10.771 1.00 0.00 H new ATOM 1742 N LYS A 111 14.038 -5.678 6.479 1.00 0.00 N ATOM 1743 CA LYS A 111 15.053 -5.852 7.512 1.00 0.00 C ATOM 1744 C LYS A 111 16.271 -4.977 7.232 1.00 0.00 C ATOM 1745 O LYS A 111 16.880 -4.432 8.152 1.00 0.00 O ATOM 1746 CB LYS A 111 15.475 -7.320 7.599 1.00 0.00 C ATOM 1747 CG LYS A 111 14.475 -8.199 8.329 1.00 0.00 C ATOM 1748 CD LYS A 111 14.771 -8.261 9.818 1.00 0.00 C ATOM 1749 CE LYS A 111 14.211 -9.529 10.445 1.00 0.00 C ATOM 1750 NZ LYS A 111 15.125 -10.690 10.260 1.00 0.00 N ATOM 0 H LYS A 111 13.714 -6.548 6.056 1.00 0.00 H new ATOM 0 HA LYS A 111 14.621 -5.547 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.619 -7.708 6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.438 -7.383 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.468 -7.813 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.499 -9.205 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.848 -8.220 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.342 -7.389 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.044 -9.364 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.242 -9.756 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.708 -11.534 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.265 -10.863 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.042 -10.484 10.705 1.00 0.00 H new ATOM 1764 N SER A 112 16.618 -4.846 5.955 1.00 0.00 N ATOM 1765 CA SER A 112 17.764 -4.039 5.554 1.00 0.00 C ATOM 1766 C SER A 112 17.541 -2.569 5.898 1.00 0.00 C ATOM 1767 O SER A 112 18.492 -1.826 6.139 1.00 0.00 O ATOM 1768 CB SER A 112 18.021 -4.190 4.054 1.00 0.00 C ATOM 1769 OG SER A 112 18.337 -5.531 3.723 1.00 0.00 O ATOM 0 H SER A 112 16.122 -5.288 5.181 1.00 0.00 H new ATOM 0 HA SER A 112 18.636 -4.394 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.139 -3.873 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.840 -3.536 3.754 1.00 0.00 H new ATOM 0 HG SER A 112 18.495 -5.601 2.758 1.00 0.00 H new ATOM 1775 N ILE A 113 16.278 -2.159 5.919 1.00 0.00 N ATOM 1776 CA ILE A 113 15.929 -0.779 6.234 1.00 0.00 C ATOM 1777 C ILE A 113 15.872 -0.557 7.742 1.00 0.00 C ATOM 1778 O ILE A 113 15.296 -1.359 8.475 1.00 0.00 O ATOM 1779 CB ILE A 113 14.573 -0.386 5.618 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.620 -0.528 4.095 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.204 1.036 6.012 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.256 -0.495 3.442 1.00 0.00 C ATOM 0 H ILE A 113 15.479 -2.762 5.722 1.00 0.00 H new ATOM 0 HA ILE A 113 16.710 -0.151 5.805 1.00 0.00 H new ATOM 0 HB ILE A 113 13.807 -1.059 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.231 0.275 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.113 -1.466 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.243 1.299 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.134 1.106 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.970 1.723 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.367 -0.601 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.649 -1.314 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.769 0.454 3.665 1.00 0.00 H new