USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 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 97 THR OG1 : rot -128:sc= -1.12 USER MOD Set 1.2: A 99 LYS NZ :NH3+ -116:sc= 0.421 (180deg=0.00778) USER MOD Set 2.1: A 34 CYS SG : rot 174:sc= 0.277 USER MOD Set 2.2: A 37 CYS SG : rot 81:sc= -0.999 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 16 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 26 MET CE :methyl 159:sc=-0.00616 (180deg=-0.302) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.85) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.93) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.462 X(o=0.46,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 66 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.95) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 104:sc= 1.04 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.37) USER MOD Single : A 84 CYS SG : rot 121:sc= 0.479 USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.15) USER MOD Single : A 92 TYR OH : rot 99:sc= 0.456 USER MOD Single : A 93 GLN : amide:sc= -0.786 K(o=-0.79,f=-0.12) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.44! K(o=-1.4!,f=0.11) USER MOD Single : A 106 SER OG : rot 180:sc= -0.197 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 167:sc= -0.296 (180deg=-0.55) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.240 -6.466 -0.808 1.00 0.00 N ATOM 67 CA ASN A 8 -7.968 -6.839 -0.200 1.00 0.00 C ATOM 68 C ASN A 8 -7.361 -5.663 0.559 1.00 0.00 C ATOM 69 O ASN A 8 -6.800 -5.831 1.641 1.00 0.00 O ATOM 70 CB ASN A 8 -6.991 -7.328 -1.271 1.00 0.00 C ATOM 71 CG ASN A 8 -7.226 -8.778 -1.649 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.072 -9.679 -0.824 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.599 -9.009 -2.902 1.00 0.00 N ATOM 0 HA ASN A 8 -8.156 -7.647 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.087 -6.704 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.970 -7.211 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.770 -9.964 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.714 -8.231 -3.551 1.00 0.00 H new ATOM 80 N VAL A 9 -7.479 -4.470 -0.017 1.00 0.00 N ATOM 81 CA VAL A 9 -6.944 -3.265 0.604 1.00 0.00 C ATOM 82 C VAL A 9 -7.775 -2.856 1.816 1.00 0.00 C ATOM 83 O VAL A 9 -9.004 -2.931 1.792 1.00 0.00 O ATOM 84 CB VAL A 9 -6.899 -2.092 -0.393 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.468 -0.812 0.307 1.00 0.00 C ATOM 86 CG2 VAL A 9 -5.968 -2.414 -1.552 1.00 0.00 C ATOM 0 H VAL A 9 -7.941 -4.313 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.929 -3.498 0.925 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.901 -1.939 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.442 0.006 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.177 -0.575 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.476 -0.949 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.948 -1.574 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.962 -2.594 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.325 -3.305 -2.069 1.00 0.00 H new ATOM 96 N ARG A 10 -7.096 -2.423 2.873 1.00 0.00 N ATOM 97 CA ARG A 10 -7.772 -2.003 4.095 1.00 0.00 C ATOM 98 C ARG A 10 -7.761 -0.483 4.227 1.00 0.00 C ATOM 99 O ARG A 10 -6.856 0.187 3.730 1.00 0.00 O ATOM 100 CB ARG A 10 -7.103 -2.637 5.316 1.00 0.00 C ATOM 101 CG ARG A 10 -7.454 -4.103 5.511 1.00 0.00 C ATOM 102 CD ARG A 10 -8.673 -4.270 6.405 1.00 0.00 C ATOM 103 NE ARG A 10 -8.940 -5.674 6.708 1.00 0.00 N ATOM 104 CZ ARG A 10 -9.523 -6.085 7.828 1.00 0.00 C ATOM 105 NH1 ARG A 10 -9.899 -5.205 8.746 1.00 0.00 N ATOM 106 NH2 ARG A 10 -9.733 -7.379 8.032 1.00 0.00 N ATOM 0 H ARG A 10 -6.079 -2.354 2.908 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.808 -2.338 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.022 -2.541 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.393 -2.081 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.646 -4.564 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.605 -4.626 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.519 -3.721 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.544 -3.832 5.917 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.664 -6.377 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.741 -4.209 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.347 -5.524 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.447 -8.059 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.181 -7.693 8.893 1.00 0.00 H new ATOM 120 N VAL A 11 -8.774 0.055 4.899 1.00 0.00 N ATOM 121 CA VAL A 11 -8.881 1.495 5.096 1.00 0.00 C ATOM 122 C VAL A 11 -8.508 1.883 6.523 1.00 0.00 C ATOM 123 O VAL A 11 -9.308 1.734 7.447 1.00 0.00 O ATOM 124 CB VAL A 11 -10.306 1.999 4.795 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.438 3.471 5.153 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.655 1.763 3.334 1.00 0.00 C ATOM 0 H VAL A 11 -9.532 -0.485 5.316 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.184 1.962 4.401 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.010 1.437 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.451 3.809 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.232 3.607 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.726 4.053 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.664 2.124 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.948 2.299 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.603 0.696 3.115 1.00 0.00 H new ATOM 136 N ILE A 12 -7.289 2.383 6.694 1.00 0.00 N ATOM 137 CA ILE A 12 -6.810 2.794 8.008 1.00 0.00 C ATOM 138 C ILE A 12 -7.286 4.201 8.351 1.00 0.00 C ATOM 139 O ILE A 12 -7.108 5.137 7.570 1.00 0.00 O ATOM 140 CB ILE A 12 -5.272 2.752 8.085 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.764 1.339 7.790 1.00 0.00 C ATOM 142 CG2 ILE A 12 -4.798 3.216 9.454 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.201 0.314 8.813 1.00 0.00 C ATOM 0 H ILE A 12 -6.615 2.513 5.939 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.221 2.088 8.729 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.866 3.428 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.118 1.032 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.675 1.355 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.709 3.181 9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.135 4.238 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.210 2.562 10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.805 -0.664 8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.824 0.597 9.796 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.290 0.269 8.841 1.00 0.00 H new ATOM 155 N THR A 13 -7.892 4.345 9.525 1.00 0.00 N ATOM 156 CA THR A 13 -8.394 5.638 9.973 1.00 0.00 C ATOM 157 C THR A 13 -7.627 6.133 11.193 1.00 0.00 C ATOM 158 O THR A 13 -6.668 5.499 11.635 1.00 0.00 O ATOM 159 CB THR A 13 -9.894 5.570 10.317 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.180 4.358 11.023 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.742 5.641 9.056 1.00 0.00 C ATOM 0 H THR A 13 -8.047 3.582 10.183 1.00 0.00 H new ATOM 0 HA THR A 13 -8.249 6.336 9.148 1.00 0.00 H new ATOM 0 HB THR A 13 -10.139 6.424 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.135 4.323 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.797 5.591 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.543 6.578 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.494 4.804 8.403 1.00 0.00 H new ATOM 169 N ASP A 14 -8.054 7.269 11.734 1.00 0.00 N ATOM 170 CA ASP A 14 -7.407 7.849 12.906 1.00 0.00 C ATOM 171 C ASP A 14 -7.636 6.979 14.139 1.00 0.00 C ATOM 172 O ASP A 14 -7.112 7.263 15.215 1.00 0.00 O ATOM 173 CB ASP A 14 -7.933 9.262 13.159 1.00 0.00 C ATOM 174 CG ASP A 14 -9.438 9.296 13.341 1.00 0.00 C ATOM 175 OD1 ASP A 14 -9.943 8.588 14.238 1.00 0.00 O ATOM 176 OD2 ASP A 14 -10.110 10.030 12.588 1.00 0.00 O ATOM 0 H ASP A 14 -8.845 7.807 11.380 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.336 7.898 12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.453 9.671 14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.656 9.905 12.323 1.00 0.00 H new ATOM 181 N GLU A 15 -8.422 5.921 13.972 1.00 0.00 N ATOM 182 CA GLU A 15 -8.722 5.012 15.073 1.00 0.00 C ATOM 183 C GLU A 15 -8.207 3.607 14.773 1.00 0.00 C ATOM 184 O GLU A 15 -7.854 2.857 15.682 1.00 0.00 O ATOM 185 CB GLU A 15 -10.229 4.970 15.334 1.00 0.00 C ATOM 186 CG GLU A 15 -11.026 4.354 14.197 1.00 0.00 C ATOM 187 CD GLU A 15 -12.322 3.722 14.668 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.283 2.956 15.654 1.00 0.00 O ATOM 189 OE2 GLU A 15 -13.374 3.994 14.052 1.00 0.00 O ATOM 0 H GLU A 15 -8.862 5.672 13.086 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.217 5.383 15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.416 4.403 16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.587 5.984 15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.249 5.122 13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.418 3.599 13.699 1.00 0.00 H new ATOM 196 N ASN A 16 -8.169 3.258 13.491 1.00 0.00 N ATOM 197 CA ASN A 16 -7.700 1.943 13.071 1.00 0.00 C ATOM 198 C ASN A 16 -6.182 1.842 13.195 1.00 0.00 C ATOM 199 O ASN A 16 -5.636 0.754 13.380 1.00 0.00 O ATOM 200 CB ASN A 16 -8.124 1.664 11.628 1.00 0.00 C ATOM 201 CG ASN A 16 -8.363 0.189 11.370 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.816 -0.670 12.062 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.183 -0.112 10.370 1.00 0.00 N ATOM 0 H ASN A 16 -8.457 3.867 12.726 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.151 1.198 13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.034 2.221 11.406 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.353 2.029 10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.381 -1.088 10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.615 0.633 9.823 1.00 0.00 H new ATOM 210 N TRP A 17 -5.509 2.982 13.093 1.00 0.00 N ATOM 211 CA TRP A 17 -4.055 3.022 13.195 1.00 0.00 C ATOM 212 C TRP A 17 -3.555 2.038 14.246 1.00 0.00 C ATOM 213 O TRP A 17 -2.573 1.328 14.027 1.00 0.00 O ATOM 214 CB TRP A 17 -3.586 4.437 13.539 1.00 0.00 C ATOM 215 CG TRP A 17 -3.597 4.725 15.010 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.450 5.557 15.676 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.712 4.182 15.996 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.149 5.565 17.016 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.087 4.728 17.238 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.640 3.286 15.950 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.427 4.408 18.422 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.986 2.969 17.125 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.382 3.528 18.348 1.00 0.00 C ATOM 0 H TRP A 17 -5.946 3.891 12.940 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.640 2.734 12.229 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.576 4.581 13.155 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.226 5.158 13.030 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.245 6.126 15.217 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.637 6.106 17.730 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.329 2.849 15.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.729 4.839 19.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.156 2.279 17.101 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.852 3.259 19.250 1.00 0.00 H new ATOM 234 N ARG A 18 -4.236 2.000 15.387 1.00 0.00 N ATOM 235 CA ARG A 18 -3.859 1.103 16.472 1.00 0.00 C ATOM 236 C ARG A 18 -3.564 -0.297 15.942 1.00 0.00 C ATOM 237 O ARG A 18 -2.567 -0.914 16.315 1.00 0.00 O ATOM 238 CB ARG A 18 -4.973 1.039 17.519 1.00 0.00 C ATOM 239 CG ARG A 18 -4.827 2.070 18.627 1.00 0.00 C ATOM 240 CD ARG A 18 -3.939 1.558 19.750 1.00 0.00 C ATOM 241 NE ARG A 18 -4.232 2.213 21.022 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.959 1.676 22.206 1.00 0.00 C ATOM 243 NH1 ARG A 18 -3.389 0.482 22.280 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.257 2.334 23.319 1.00 0.00 N ATOM 0 H ARG A 18 -5.052 2.580 15.583 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.954 1.495 16.937 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.934 1.183 17.024 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.988 0.043 17.961 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.405 2.988 18.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.811 2.320 19.025 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.074 0.482 19.857 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.894 1.723 19.489 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.670 3.134 21.000 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.159 -0.027 21.427 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.180 0.072 23.190 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.696 3.253 23.266 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.047 1.921 24.228 1.00 0.00 H new ATOM 258 N GLU A 19 -4.438 -0.791 15.071 1.00 0.00 N ATOM 259 CA GLU A 19 -4.271 -2.119 14.492 1.00 0.00 C ATOM 260 C GLU A 19 -2.879 -2.278 13.888 1.00 0.00 C ATOM 261 O GLU A 19 -2.310 -3.370 13.890 1.00 0.00 O ATOM 262 CB GLU A 19 -5.335 -2.370 13.422 1.00 0.00 C ATOM 263 CG GLU A 19 -6.703 -2.709 13.990 1.00 0.00 C ATOM 264 CD GLU A 19 -6.793 -4.143 14.477 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.153 -5.020 13.859 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.504 -4.388 15.474 1.00 0.00 O ATOM 0 H GLU A 19 -5.268 -0.292 14.751 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.388 -2.853 15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.422 -1.484 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.006 -3.186 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.927 -2.034 14.816 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.462 -2.540 13.226 1.00 0.00 H new ATOM 273 N LEU A 20 -2.336 -1.181 13.372 1.00 0.00 N ATOM 274 CA LEU A 20 -1.010 -1.197 12.764 1.00 0.00 C ATOM 275 C LEU A 20 0.023 -1.774 13.726 1.00 0.00 C ATOM 276 O LEU A 20 1.097 -2.213 13.310 1.00 0.00 O ATOM 277 CB LEU A 20 -0.602 0.217 12.347 1.00 0.00 C ATOM 278 CG LEU A 20 -1.513 0.907 11.332 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.071 2.345 11.108 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.525 0.140 10.017 1.00 0.00 C ATOM 0 H LEU A 20 -2.793 -0.269 13.362 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.050 -1.833 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.553 0.838 13.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.405 0.175 11.932 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.527 0.918 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.731 2.820 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.116 2.890 12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.049 2.357 10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.179 0.646 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.514 0.096 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.891 -0.872 10.189 1.00 0.00 H new ATOM 292 N LEU A 21 -0.308 -1.773 15.012 1.00 0.00 N ATOM 293 CA LEU A 21 0.591 -2.299 16.034 1.00 0.00 C ATOM 294 C LEU A 21 0.450 -3.813 16.156 1.00 0.00 C ATOM 295 O LEU A 21 0.936 -4.416 17.112 1.00 0.00 O ATOM 296 CB LEU A 21 0.303 -1.639 17.383 1.00 0.00 C ATOM 297 CG LEU A 21 0.179 -0.115 17.372 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.158 0.404 18.761 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.465 0.521 16.861 1.00 0.00 C ATOM 0 H LEU A 21 -1.192 -1.414 15.372 1.00 0.00 H new ATOM 0 HA LEU A 21 1.614 -2.070 15.735 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.623 -2.056 17.778 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.098 -1.914 18.076 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.632 0.159 16.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.242 1.490 18.733 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.105 -0.025 19.090 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.631 0.119 19.457 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.359 1.606 16.860 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.294 0.238 17.510 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.664 0.175 15.847 1.00 0.00 H new ATOM 311 N GLU A 22 -0.217 -4.421 15.179 1.00 0.00 N ATOM 312 CA GLU A 22 -0.420 -5.865 15.177 1.00 0.00 C ATOM 313 C GLU A 22 0.007 -6.473 13.844 1.00 0.00 C ATOM 314 O GLU A 22 -0.418 -6.023 12.780 1.00 0.00 O ATOM 315 CB GLU A 22 -1.887 -6.197 15.455 1.00 0.00 C ATOM 316 CG GLU A 22 -2.365 -5.745 16.825 1.00 0.00 C ATOM 317 CD GLU A 22 -3.869 -5.849 16.983 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.570 -4.871 16.650 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.345 -6.910 17.439 1.00 0.00 O ATOM 0 H GLU A 22 -0.625 -3.936 14.380 1.00 0.00 H new ATOM 0 HA GLU A 22 0.198 -6.294 15.966 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.508 -5.729 14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.030 -7.274 15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.880 -6.349 17.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.057 -4.713 16.991 1.00 0.00 H new ATOM 326 N GLY A 23 0.851 -7.498 13.910 1.00 0.00 N ATOM 327 CA GLY A 23 1.322 -8.151 12.703 1.00 0.00 C ATOM 328 C GLY A 23 1.841 -7.164 11.675 1.00 0.00 C ATOM 329 O GLY A 23 1.969 -5.973 11.958 1.00 0.00 O ATOM 0 H GLY A 23 1.217 -7.888 14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.114 -8.854 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.509 -8.732 12.267 1.00 0.00 H new ATOM 333 N ASP A 24 2.142 -7.660 10.481 1.00 0.00 N ATOM 334 CA ASP A 24 2.651 -6.814 9.407 1.00 0.00 C ATOM 335 C ASP A 24 1.530 -5.979 8.796 1.00 0.00 C ATOM 336 O ASP A 24 0.378 -6.409 8.746 1.00 0.00 O ATOM 337 CB ASP A 24 3.314 -7.669 8.326 1.00 0.00 C ATOM 338 CG ASP A 24 4.663 -8.208 8.761 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.689 -9.204 9.515 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.692 -7.635 8.347 1.00 0.00 O ATOM 0 H ASP A 24 2.043 -8.644 10.231 1.00 0.00 H new ATOM 0 HA ASP A 24 3.394 -6.138 9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.658 -8.502 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.438 -7.074 7.421 1.00 0.00 H new ATOM 345 N TRP A 25 1.876 -4.782 8.335 1.00 0.00 N ATOM 346 CA TRP A 25 0.899 -3.886 7.728 1.00 0.00 C ATOM 347 C TRP A 25 1.558 -2.982 6.692 1.00 0.00 C ATOM 348 O TRP A 25 2.507 -2.261 6.998 1.00 0.00 O ATOM 349 CB TRP A 25 0.218 -3.037 8.803 1.00 0.00 C ATOM 350 CG TRP A 25 -0.859 -3.770 9.545 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.690 -4.673 10.555 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.271 -3.662 9.332 1.00 0.00 C ATOM 353 NE1 TRP A 25 -1.911 -5.134 10.983 1.00 0.00 N ATOM 354 CE2 TRP A 25 -2.897 -4.528 10.250 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.067 -2.917 8.458 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.281 -4.668 10.315 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.440 -3.057 8.524 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.036 -3.927 9.447 1.00 0.00 C ATOM 0 H TRP A 25 2.825 -4.410 8.370 1.00 0.00 H new ATOM 0 HA TRP A 25 0.148 -4.496 7.226 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.969 -2.693 9.514 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.211 -2.150 8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.264 -4.980 10.958 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.060 -5.817 11.726 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.617 -2.244 7.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.742 -5.338 11.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.065 -2.486 7.853 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.112 -4.014 9.474 1.00 0.00 H new ATOM 369 N MET A 26 1.050 -3.027 5.465 1.00 0.00 N ATOM 370 CA MET A 26 1.590 -2.210 4.384 1.00 0.00 C ATOM 371 C MET A 26 0.686 -1.015 4.102 1.00 0.00 C ATOM 372 O MET A 26 -0.429 -1.173 3.603 1.00 0.00 O ATOM 373 CB MET A 26 1.756 -3.050 3.116 1.00 0.00 C ATOM 374 CG MET A 26 3.011 -3.907 3.115 1.00 0.00 C ATOM 375 SD MET A 26 4.522 -2.926 3.038 1.00 0.00 S ATOM 376 CE MET A 26 4.706 -2.725 1.268 1.00 0.00 C ATOM 0 H MET A 26 0.266 -3.620 5.194 1.00 0.00 H new ATOM 0 HA MET A 26 2.566 -1.838 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.885 -3.695 3.001 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.778 -2.387 2.251 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.027 -4.522 4.015 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.981 -4.588 2.264 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.343 -1.865 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.160 -3.621 0.845 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.727 -2.567 0.816 1.00 0.00 H new ATOM 386 N ILE A 27 1.173 0.179 4.423 1.00 0.00 N ATOM 387 CA ILE A 27 0.408 1.400 4.203 1.00 0.00 C ATOM 388 C ILE A 27 0.949 2.180 3.009 1.00 0.00 C ATOM 389 O ILE A 27 2.117 2.045 2.646 1.00 0.00 O ATOM 390 CB ILE A 27 0.427 2.308 5.447 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.029 1.528 6.682 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.458 3.526 5.227 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.388 2.168 7.988 1.00 0.00 C ATOM 0 H ILE A 27 2.094 0.327 4.836 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.619 1.097 4.000 1.00 0.00 H new ATOM 0 HB ILE A 27 1.448 2.650 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.115 1.435 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.378 0.518 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.434 4.158 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.093 4.091 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.482 3.203 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.031 1.562 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.475 2.237 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.041 3.167 8.057 1.00 0.00 H new ATOM 405 N GLU A 28 0.092 2.996 2.405 1.00 0.00 N ATOM 406 CA GLU A 28 0.485 3.799 1.253 1.00 0.00 C ATOM 407 C GLU A 28 -0.239 5.142 1.253 1.00 0.00 C ATOM 408 O GLU A 28 -1.464 5.200 1.136 1.00 0.00 O ATOM 409 CB GLU A 28 0.188 3.047 -0.046 1.00 0.00 C ATOM 410 CG GLU A 28 -1.229 2.504 -0.124 1.00 0.00 C ATOM 411 CD GLU A 28 -1.732 2.388 -1.550 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.892 2.253 -2.465 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.963 2.432 -1.751 1.00 0.00 O ATOM 0 H GLU A 28 -0.879 3.119 2.694 1.00 0.00 H new ATOM 0 HA GLU A 28 1.557 3.984 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.359 3.715 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.891 2.220 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.265 1.524 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.896 3.156 0.440 1.00 0.00 H new ATOM 420 N PHE A 29 0.526 6.220 1.384 1.00 0.00 N ATOM 421 CA PHE A 29 -0.041 7.564 1.401 1.00 0.00 C ATOM 422 C PHE A 29 -0.250 8.083 -0.018 1.00 0.00 C ATOM 423 O PHE A 29 0.709 8.297 -0.760 1.00 0.00 O ATOM 424 CB PHE A 29 0.871 8.516 2.176 1.00 0.00 C ATOM 425 CG PHE A 29 0.829 8.310 3.663 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.625 7.349 4.266 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.008 9.076 4.459 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.589 7.157 5.634 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.048 8.888 5.828 1.00 0.00 C ATOM 430 CZ PHE A 29 0.750 7.927 6.416 1.00 0.00 C ATOM 0 H PHE A 29 1.541 6.190 1.480 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.010 7.517 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.896 8.387 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.585 9.544 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.281 6.743 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.636 9.828 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.216 6.406 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.703 9.493 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.718 7.778 7.485 1.00 0.00 H new ATOM 440 N TYR A 30 -1.510 8.284 -0.389 1.00 0.00 N ATOM 441 CA TYR A 30 -1.846 8.775 -1.720 1.00 0.00 C ATOM 442 C TYR A 30 -2.661 10.062 -1.635 1.00 0.00 C ATOM 443 O TYR A 30 -3.114 10.454 -0.560 1.00 0.00 O ATOM 444 CB TYR A 30 -2.627 7.714 -2.496 1.00 0.00 C ATOM 445 CG TYR A 30 -4.093 7.653 -2.131 1.00 0.00 C ATOM 446 CD1 TYR A 30 -5.001 8.559 -2.666 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.571 6.688 -1.252 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.341 8.507 -2.335 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.909 6.628 -0.916 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.790 7.540 -1.460 1.00 0.00 C ATOM 451 OH TYR A 30 -8.125 7.484 -1.128 1.00 0.00 O ATOM 0 H TYR A 30 -2.315 8.114 0.214 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.916 8.989 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.535 7.916 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.176 6.738 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.653 9.317 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.884 5.973 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.033 9.219 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.264 5.872 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.276 6.745 -0.502 1.00 0.00 H new ATOM 461 N ALA A 31 -2.845 10.715 -2.778 1.00 0.00 N ATOM 462 CA ALA A 31 -3.607 11.956 -2.836 1.00 0.00 C ATOM 463 C ALA A 31 -4.391 12.059 -4.140 1.00 0.00 C ATOM 464 O ALA A 31 -3.897 11.725 -5.217 1.00 0.00 O ATOM 465 CB ALA A 31 -2.681 13.152 -2.678 1.00 0.00 C ATOM 0 H ALA A 31 -2.476 10.405 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.322 11.953 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.264 14.072 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.171 13.093 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.944 13.150 -3.481 1.00 0.00 H new ATOM 471 N PRO A 32 -5.642 12.531 -4.043 1.00 0.00 N ATOM 472 CA PRO A 32 -6.521 12.689 -5.206 1.00 0.00 C ATOM 473 C PRO A 32 -6.063 13.813 -6.130 1.00 0.00 C ATOM 474 O PRO A 32 -6.325 13.785 -7.333 1.00 0.00 O ATOM 475 CB PRO A 32 -7.877 13.028 -4.583 1.00 0.00 C ATOM 476 CG PRO A 32 -7.546 13.638 -3.265 1.00 0.00 C ATOM 477 CD PRO A 32 -6.296 12.948 -2.792 1.00 0.00 C ATOM 0 HA PRO A 32 -6.535 11.796 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.439 13.721 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.492 12.136 -4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.386 14.712 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.361 13.499 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.662 13.618 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.525 12.094 -2.154 1.00 0.00 H new ATOM 485 N TRP A 33 -5.379 14.798 -5.561 1.00 0.00 N ATOM 486 CA TRP A 33 -4.885 15.931 -6.335 1.00 0.00 C ATOM 487 C TRP A 33 -3.435 15.714 -6.754 1.00 0.00 C ATOM 488 O TRP A 33 -2.722 16.666 -7.073 1.00 0.00 O ATOM 489 CB TRP A 33 -5.006 17.222 -5.523 1.00 0.00 C ATOM 490 CG TRP A 33 -4.861 17.010 -4.046 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.820 17.201 -3.093 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.688 16.568 -3.355 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.313 16.905 -1.850 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.008 16.513 -1.984 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.399 16.211 -3.760 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.085 16.117 -1.020 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.484 15.818 -2.802 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.830 15.773 -1.445 1.00 0.00 C ATOM 0 H TRP A 33 -5.154 14.836 -4.567 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.495 16.017 -7.235 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.245 17.926 -5.858 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.975 17.680 -5.724 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.828 17.535 -3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.826 16.967 -0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.123 16.242 -4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.350 16.082 0.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.485 15.541 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.092 15.461 -0.720 1.00 0.00 H new ATOM 509 N CYS A 34 -3.005 14.457 -6.750 1.00 0.00 N ATOM 510 CA CYS A 34 -1.639 14.115 -7.130 1.00 0.00 C ATOM 511 C CYS A 34 -1.628 13.091 -8.260 1.00 0.00 C ATOM 512 O CYS A 34 -2.209 12.010 -8.157 1.00 0.00 O ATOM 513 CB CYS A 34 -0.874 13.568 -5.923 1.00 0.00 C ATOM 514 SG CYS A 34 0.887 13.296 -6.228 1.00 0.00 S ATOM 0 H CYS A 34 -3.582 13.658 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.149 15.022 -7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.985 14.263 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.328 12.626 -5.615 1.00 0.00 H new ATOM 0 HG CYS A 34 1.472 12.957 -5.118 1.00 0.00 H new ATOM 520 N PRO A 35 -0.955 13.438 -9.367 1.00 0.00 N ATOM 521 CA PRO A 35 -0.854 12.564 -10.539 1.00 0.00 C ATOM 522 C PRO A 35 0.016 11.339 -10.275 1.00 0.00 C ATOM 523 O PRO A 35 -0.313 10.230 -10.695 1.00 0.00 O ATOM 524 CB PRO A 35 -0.207 13.461 -11.596 1.00 0.00 C ATOM 525 CG PRO A 35 0.551 14.480 -10.817 1.00 0.00 C ATOM 526 CD PRO A 35 -0.239 14.711 -9.559 1.00 0.00 C ATOM 0 HA PRO A 35 -1.824 12.165 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.453 12.890 -12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.959 13.928 -12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.556 14.127 -10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.660 15.404 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.410 14.939 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.929 15.548 -9.666 1.00 0.00 H new ATOM 534 N ALA A 36 1.127 11.548 -9.576 1.00 0.00 N ATOM 535 CA ALA A 36 2.043 10.460 -9.254 1.00 0.00 C ATOM 536 C ALA A 36 1.326 9.344 -8.501 1.00 0.00 C ATOM 537 O ALA A 36 1.533 8.162 -8.780 1.00 0.00 O ATOM 538 CB ALA A 36 3.216 10.982 -8.438 1.00 0.00 C ATOM 0 H ALA A 36 1.415 12.460 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 36 2.421 10.047 -10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.892 10.159 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.750 11.739 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.847 11.423 -7.512 1.00 0.00 H new ATOM 544 N CYS A 37 0.486 9.727 -7.546 1.00 0.00 N ATOM 545 CA CYS A 37 -0.260 8.758 -6.751 1.00 0.00 C ATOM 546 C CYS A 37 -1.237 7.976 -7.623 1.00 0.00 C ATOM 547 O CYS A 37 -1.463 6.786 -7.405 1.00 0.00 O ATOM 548 CB CYS A 37 -1.016 9.464 -5.625 1.00 0.00 C ATOM 549 SG CYS A 37 0.051 10.156 -4.340 1.00 0.00 S ATOM 0 H CYS A 37 0.304 10.701 -7.303 1.00 0.00 H new ATOM 0 HA CYS A 37 0.453 8.057 -6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.618 10.266 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.707 8.757 -5.166 1.00 0.00 H new ATOM 0 HG CYS A 37 0.531 11.295 -4.742 1.00 0.00 H new ATOM 555 N GLN A 38 -1.814 8.653 -8.611 1.00 0.00 N ATOM 556 CA GLN A 38 -2.768 8.022 -9.514 1.00 0.00 C ATOM 557 C GLN A 38 -2.142 6.821 -10.216 1.00 0.00 C ATOM 558 O GLN A 38 -2.816 5.830 -10.490 1.00 0.00 O ATOM 559 CB GLN A 38 -3.266 9.031 -10.551 1.00 0.00 C ATOM 560 CG GLN A 38 -4.119 10.141 -9.958 1.00 0.00 C ATOM 561 CD GLN A 38 -4.339 11.287 -10.926 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.237 11.117 -12.141 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.642 12.464 -10.391 1.00 0.00 N ATOM 0 H GLN A 38 -1.637 9.638 -8.806 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.614 7.673 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.408 9.474 -11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.845 8.504 -11.309 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.084 9.732 -9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.640 10.520 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.716 12.560 -9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.800 13.272 -10.993 1.00 0.00 H new ATOM 572 N ASN A 39 -0.848 6.919 -10.503 1.00 0.00 N ATOM 573 CA ASN A 39 -0.131 5.841 -11.174 1.00 0.00 C ATOM 574 C ASN A 39 0.041 4.642 -10.246 1.00 0.00 C ATOM 575 O ASN A 39 0.048 3.494 -10.692 1.00 0.00 O ATOM 576 CB ASN A 39 1.238 6.330 -11.651 1.00 0.00 C ATOM 577 CG ASN A 39 1.190 6.903 -13.054 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.733 6.321 -13.993 1.00 0.00 O ATOM 579 ND2 ASN A 39 0.539 8.051 -13.203 1.00 0.00 N ATOM 0 H ASN A 39 -0.275 7.733 -10.282 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.719 5.529 -12.037 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.609 7.090 -10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.946 5.502 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.474 8.485 -14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.104 8.499 -12.397 1.00 0.00 H new ATOM 586 N LEU A 40 0.178 4.916 -8.953 1.00 0.00 N ATOM 587 CA LEU A 40 0.349 3.860 -7.961 1.00 0.00 C ATOM 588 C LEU A 40 -0.991 3.221 -7.610 1.00 0.00 C ATOM 589 O LEU A 40 -1.052 2.047 -7.248 1.00 0.00 O ATOM 590 CB LEU A 40 1.006 4.421 -6.699 1.00 0.00 C ATOM 591 CG LEU A 40 1.338 3.404 -5.607 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.452 2.475 -6.064 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.727 4.113 -4.318 1.00 0.00 C ATOM 0 H LEU A 40 0.174 5.860 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 40 0.995 3.093 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.927 4.928 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.345 5.177 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 40 0.449 2.804 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.675 1.758 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.136 1.941 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.345 3.059 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.960 3.373 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.602 4.738 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.898 4.736 -3.981 1.00 0.00 H new ATOM 605 N GLN A 41 -2.061 4.001 -7.723 1.00 0.00 N ATOM 606 CA GLN A 41 -3.400 3.510 -7.419 1.00 0.00 C ATOM 607 C GLN A 41 -3.567 2.066 -7.880 1.00 0.00 C ATOM 608 O GLN A 41 -3.902 1.175 -7.100 1.00 0.00 O ATOM 609 CB GLN A 41 -4.454 4.397 -8.084 1.00 0.00 C ATOM 610 CG GLN A 41 -4.886 5.576 -7.227 1.00 0.00 C ATOM 611 CD GLN A 41 -5.214 5.173 -5.803 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.367 4.886 -5.477 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.201 5.149 -4.945 1.00 0.00 N ATOM 0 H GLN A 41 -2.027 4.975 -8.023 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.537 3.545 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.059 4.771 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.329 3.792 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.092 6.322 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.760 6.047 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.262 5.394 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.362 4.885 -3.973 1.00 0.00 H new ATOM 622 N PRO A 42 -3.330 1.828 -9.178 1.00 0.00 N ATOM 623 CA PRO A 42 -3.449 0.493 -9.773 1.00 0.00 C ATOM 624 C PRO A 42 -2.351 -0.452 -9.298 1.00 0.00 C ATOM 625 O PRO A 42 -2.619 -1.600 -8.945 1.00 0.00 O ATOM 626 CB PRO A 42 -3.313 0.760 -11.274 1.00 0.00 C ATOM 627 CG PRO A 42 -2.532 2.025 -11.365 1.00 0.00 C ATOM 628 CD PRO A 42 -2.928 2.843 -10.166 1.00 0.00 C ATOM 0 HA PRO A 42 -4.384 0.005 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.799 -0.059 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.289 0.863 -11.748 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.461 1.823 -11.363 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.755 2.556 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.099 3.451 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.746 3.525 -10.397 1.00 0.00 H new ATOM 636 N GLU A 43 -1.116 0.038 -9.292 1.00 0.00 N ATOM 637 CA GLU A 43 0.022 -0.765 -8.860 1.00 0.00 C ATOM 638 C GLU A 43 -0.233 -1.375 -7.485 1.00 0.00 C ATOM 639 O GLU A 43 0.172 -2.504 -7.210 1.00 0.00 O ATOM 640 CB GLU A 43 1.293 0.087 -8.825 1.00 0.00 C ATOM 641 CG GLU A 43 2.063 0.086 -10.135 1.00 0.00 C ATOM 642 CD GLU A 43 1.484 1.049 -11.153 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.480 0.692 -11.805 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.036 2.160 -11.299 1.00 0.00 O ATOM 0 H GLU A 43 -0.878 0.987 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 43 0.156 -1.574 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.026 1.113 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.944 -0.279 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.103 0.350 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.062 -0.921 -10.552 1.00 0.00 H new ATOM 651 N TRP A 44 -0.905 -0.618 -6.625 1.00 0.00 N ATOM 652 CA TRP A 44 -1.214 -1.083 -5.277 1.00 0.00 C ATOM 653 C TRP A 44 -2.205 -2.241 -5.315 1.00 0.00 C ATOM 654 O TRP A 44 -1.964 -3.295 -4.729 1.00 0.00 O ATOM 655 CB TRP A 44 -1.780 0.063 -4.437 1.00 0.00 C ATOM 656 CG TRP A 44 -1.685 -0.179 -2.961 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.723 -0.316 -2.085 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.486 -0.312 -2.190 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.242 -0.525 -0.815 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.872 -0.528 -0.853 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.876 -0.271 -2.499 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.055 -0.701 0.171 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.796 -0.443 -1.481 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.382 -0.656 -0.160 1.00 0.00 C ATOM 0 H TRP A 44 -1.246 0.320 -6.837 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.289 -1.436 -4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.247 0.981 -4.682 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.825 0.219 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.769 -0.267 -2.351 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.812 -0.657 0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.204 -0.108 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.262 -0.865 1.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.851 -0.413 -1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.125 -0.787 0.613 1.00 0.00 H new ATOM 675 N GLU A 45 -3.322 -2.036 -6.007 1.00 0.00 N ATOM 676 CA GLU A 45 -4.350 -3.064 -6.119 1.00 0.00 C ATOM 677 C GLU A 45 -3.740 -4.400 -6.534 1.00 0.00 C ATOM 678 O GLU A 45 -3.997 -5.431 -5.912 1.00 0.00 O ATOM 679 CB GLU A 45 -5.417 -2.642 -7.131 1.00 0.00 C ATOM 680 CG GLU A 45 -6.430 -1.658 -6.572 1.00 0.00 C ATOM 681 CD GLU A 45 -7.683 -1.565 -7.421 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.585 -1.779 -8.647 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.761 -1.279 -6.859 1.00 0.00 O ATOM 0 H GLU A 45 -3.538 -1.168 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.815 -3.184 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.928 -2.195 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.942 -3.530 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.703 -1.958 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.971 -0.672 -6.499 1.00 0.00 H new ATOM 690 N SER A 46 -2.932 -4.373 -7.589 1.00 0.00 N ATOM 691 CA SER A 46 -2.289 -5.582 -8.090 1.00 0.00 C ATOM 692 C SER A 46 -1.453 -6.245 -6.999 1.00 0.00 C ATOM 693 O SER A 46 -1.331 -7.469 -6.952 1.00 0.00 O ATOM 694 CB SER A 46 -1.407 -5.253 -9.296 1.00 0.00 C ATOM 695 OG SER A 46 -2.190 -4.863 -10.410 1.00 0.00 O ATOM 0 H SER A 46 -2.707 -3.527 -8.113 1.00 0.00 H new ATOM 0 HA SER A 46 -3.069 -6.278 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.715 -4.452 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.805 -6.123 -9.558 1.00 0.00 H new ATOM 0 HG SER A 46 -1.602 -4.657 -11.167 1.00 0.00 H new ATOM 701 N PHE A 47 -0.878 -5.427 -6.124 1.00 0.00 N ATOM 702 CA PHE A 47 -0.052 -5.932 -5.034 1.00 0.00 C ATOM 703 C PHE A 47 -0.905 -6.652 -3.993 1.00 0.00 C ATOM 704 O PHE A 47 -0.690 -7.828 -3.705 1.00 0.00 O ATOM 705 CB PHE A 47 0.717 -4.785 -4.375 1.00 0.00 C ATOM 706 CG PHE A 47 1.058 -5.042 -2.934 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.341 -6.325 -2.494 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.095 -4.001 -2.021 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.656 -6.564 -1.169 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.409 -4.234 -0.696 1.00 0.00 C ATOM 711 CZ PHE A 47 1.689 -5.518 -0.269 1.00 0.00 C ATOM 0 H PHE A 47 -0.969 -4.411 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 47 0.659 -6.645 -5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.637 -4.608 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.123 -3.874 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.315 -7.147 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.876 -2.996 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.876 -7.568 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.436 -3.413 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.933 -5.703 0.767 1.00 0.00 H new ATOM 721 N ALA A 48 -1.874 -5.935 -3.433 1.00 0.00 N ATOM 722 CA ALA A 48 -2.761 -6.504 -2.426 1.00 0.00 C ATOM 723 C ALA A 48 -3.253 -7.885 -2.846 1.00 0.00 C ATOM 724 O ALA A 48 -3.554 -8.728 -2.002 1.00 0.00 O ATOM 725 CB ALA A 48 -3.940 -5.575 -2.175 1.00 0.00 C ATOM 0 H ALA A 48 -2.065 -4.959 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.196 -6.614 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.594 -6.013 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.575 -4.610 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.497 -5.436 -3.101 1.00 0.00 H new ATOM 731 N GLU A 49 -3.333 -8.107 -4.154 1.00 0.00 N ATOM 732 CA GLU A 49 -3.791 -9.386 -4.684 1.00 0.00 C ATOM 733 C GLU A 49 -3.083 -10.547 -3.991 1.00 0.00 C ATOM 734 O GLU A 49 -3.723 -11.402 -3.380 1.00 0.00 O ATOM 735 CB GLU A 49 -3.549 -9.455 -6.193 1.00 0.00 C ATOM 736 CG GLU A 49 -4.410 -8.491 -6.992 1.00 0.00 C ATOM 737 CD GLU A 49 -4.126 -8.551 -8.480 1.00 0.00 C ATOM 738 OE1 GLU A 49 -2.936 -8.555 -8.857 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.094 -8.595 -9.268 1.00 0.00 O ATOM 0 H GLU A 49 -3.087 -7.419 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.861 -9.467 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.499 -9.243 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.741 -10.471 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.462 -8.719 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.240 -7.476 -6.634 1.00 0.00 H new ATOM 746 N TRP A 50 -1.759 -10.569 -4.092 1.00 0.00 N ATOM 747 CA TRP A 50 -0.963 -11.625 -3.476 1.00 0.00 C ATOM 748 C TRP A 50 -0.534 -11.232 -2.067 1.00 0.00 C ATOM 749 O TRP A 50 0.035 -12.038 -1.333 1.00 0.00 O ATOM 750 CB TRP A 50 0.268 -11.929 -4.331 1.00 0.00 C ATOM 751 CG TRP A 50 1.081 -10.712 -4.655 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.164 -10.080 -5.863 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.927 -9.983 -3.759 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.011 -9.002 -5.771 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.491 -8.920 -4.491 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.261 -10.124 -2.409 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.370 -8.006 -3.917 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.134 -9.215 -1.841 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.680 -8.167 -2.594 1.00 0.00 C ATOM 0 H TRP A 50 -1.214 -9.868 -4.594 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.581 -12.520 -3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.897 -12.648 -3.807 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.051 -12.402 -5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.641 -10.383 -6.758 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.245 -8.366 -6.533 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.845 -10.928 -1.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.793 -7.198 -4.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.400 -9.314 -0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.359 -7.473 -2.121 1.00 0.00 H new ATOM 770 N GLY A 51 -0.812 -9.986 -1.694 1.00 0.00 N ATOM 771 CA GLY A 51 -0.448 -9.508 -0.373 1.00 0.00 C ATOM 772 C GLY A 51 -0.816 -10.490 0.721 1.00 0.00 C ATOM 773 O GLY A 51 0.059 -11.101 1.335 1.00 0.00 O ATOM 0 H GLY A 51 -1.283 -9.299 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.625 -9.319 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.945 -8.556 -0.185 1.00 0.00 H new ATOM 777 N GLU A 52 -2.113 -10.642 0.966 1.00 0.00 N ATOM 778 CA GLU A 52 -2.594 -11.556 1.996 1.00 0.00 C ATOM 779 C GLU A 52 -2.041 -12.961 1.777 1.00 0.00 C ATOM 780 O GLU A 52 -1.829 -13.712 2.730 1.00 0.00 O ATOM 781 CB GLU A 52 -4.124 -11.593 2.003 1.00 0.00 C ATOM 782 CG GLU A 52 -4.718 -12.394 0.857 1.00 0.00 C ATOM 783 CD GLU A 52 -4.806 -13.876 1.165 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.977 -14.227 2.351 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.704 -14.685 0.219 1.00 0.00 O ATOM 0 H GLU A 52 -2.850 -10.145 0.466 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.243 -11.192 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.465 -12.018 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.504 -10.572 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.714 -12.014 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.111 -12.248 -0.036 1.00 0.00 H new ATOM 792 N ASP A 53 -1.811 -13.310 0.516 1.00 0.00 N ATOM 793 CA ASP A 53 -1.283 -14.625 0.171 1.00 0.00 C ATOM 794 C ASP A 53 0.097 -14.834 0.786 1.00 0.00 C ATOM 795 O ASP A 53 0.461 -15.952 1.155 1.00 0.00 O ATOM 796 CB ASP A 53 -1.208 -14.785 -1.348 1.00 0.00 C ATOM 797 CG ASP A 53 -2.429 -15.480 -1.918 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.510 -14.857 -1.939 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.303 -16.648 -2.343 1.00 0.00 O ATOM 0 H ASP A 53 -1.982 -12.701 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.959 -15.379 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.104 -13.803 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.315 -15.355 -1.607 1.00 0.00 H new ATOM 804 N LEU A 54 0.863 -13.754 0.891 1.00 0.00 N ATOM 805 CA LEU A 54 2.204 -13.819 1.460 1.00 0.00 C ATOM 806 C LEU A 54 2.174 -13.539 2.959 1.00 0.00 C ATOM 807 O LEU A 54 3.205 -13.256 3.568 1.00 0.00 O ATOM 808 CB LEU A 54 3.125 -12.818 0.761 1.00 0.00 C ATOM 809 CG LEU A 54 3.353 -13.046 -0.734 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.270 -11.974 -1.303 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.933 -14.431 -0.979 1.00 0.00 C ATOM 0 H LEU A 54 0.578 -12.822 0.589 1.00 0.00 H new ATOM 0 HA LEU A 54 2.589 -14.827 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.712 -11.818 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.093 -12.834 1.262 1.00 0.00 H new ATOM 0 HG LEU A 54 2.392 -12.981 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.421 -12.152 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.816 -10.993 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.231 -12.007 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.089 -14.576 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.886 -14.524 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.241 -15.186 -0.607 1.00 0.00 H new ATOM 823 N GLU A 55 0.985 -13.622 3.548 1.00 0.00 N ATOM 824 CA GLU A 55 0.822 -13.378 4.976 1.00 0.00 C ATOM 825 C GLU A 55 1.156 -11.930 5.323 1.00 0.00 C ATOM 826 O GLU A 55 1.998 -11.664 6.181 1.00 0.00 O ATOM 827 CB GLU A 55 1.712 -14.326 5.783 1.00 0.00 C ATOM 828 CG GLU A 55 1.419 -15.796 5.532 1.00 0.00 C ATOM 829 CD GLU A 55 2.272 -16.714 6.387 1.00 0.00 C ATOM 830 OE1 GLU A 55 3.452 -16.924 6.036 1.00 0.00 O ATOM 831 OE2 GLU A 55 1.760 -17.222 7.406 1.00 0.00 O ATOM 0 H GLU A 55 0.121 -13.856 3.059 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.221 -13.563 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.756 -14.126 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.585 -14.115 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.366 -15.992 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.590 -16.022 4.480 1.00 0.00 H new ATOM 838 N VAL A 56 0.492 -10.997 4.648 1.00 0.00 N ATOM 839 CA VAL A 56 0.717 -9.576 4.884 1.00 0.00 C ATOM 840 C VAL A 56 -0.545 -8.767 4.611 1.00 0.00 C ATOM 841 O VAL A 56 -1.282 -9.046 3.667 1.00 0.00 O ATOM 842 CB VAL A 56 1.861 -9.036 4.005 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.325 -8.570 2.659 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.592 -7.907 4.716 1.00 0.00 C ATOM 0 H VAL A 56 -0.207 -11.200 3.933 1.00 0.00 H new ATOM 0 HA VAL A 56 0.993 -9.469 5.933 1.00 0.00 H new ATOM 0 HB VAL A 56 2.572 -9.843 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.147 -8.192 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.850 -9.407 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.593 -7.777 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.397 -7.538 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.894 -7.097 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.010 -8.277 5.652 1.00 0.00 H new ATOM 854 N ASN A 57 -0.788 -7.761 5.445 1.00 0.00 N ATOM 855 CA ASN A 57 -1.963 -6.909 5.294 1.00 0.00 C ATOM 856 C ASN A 57 -1.617 -5.637 4.527 1.00 0.00 C ATOM 857 O ASN A 57 -0.504 -5.120 4.632 1.00 0.00 O ATOM 858 CB ASN A 57 -2.539 -6.551 6.666 1.00 0.00 C ATOM 859 CG ASN A 57 -2.752 -7.772 7.540 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.465 -8.702 7.163 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.133 -7.773 8.715 1.00 0.00 N ATOM 0 H ASN A 57 -0.187 -7.516 6.232 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.712 -7.462 4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.865 -5.859 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.488 -6.032 6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.239 -8.567 9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.552 -6.980 8.986 1.00 0.00 H new ATOM 868 N ILE A 58 -2.578 -5.137 3.758 1.00 0.00 N ATOM 869 CA ILE A 58 -2.375 -3.924 2.975 1.00 0.00 C ATOM 870 C ILE A 58 -3.481 -2.907 3.240 1.00 0.00 C ATOM 871 O ILE A 58 -4.649 -3.268 3.380 1.00 0.00 O ATOM 872 CB ILE A 58 -2.325 -4.229 1.466 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.219 -5.242 1.165 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.109 -2.949 0.674 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.648 -6.680 1.354 1.00 0.00 C ATOM 0 H ILE A 58 -3.504 -5.553 3.660 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.417 -3.506 3.285 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.279 -4.662 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.881 -5.104 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.365 -5.038 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.076 -3.181 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.929 -2.258 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.167 -2.490 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.814 -7.342 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.958 -6.834 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.482 -6.901 0.688 1.00 0.00 H new ATOM 887 N ALA A 59 -3.103 -1.635 3.307 1.00 0.00 N ATOM 888 CA ALA A 59 -4.063 -0.565 3.552 1.00 0.00 C ATOM 889 C ALA A 59 -3.639 0.723 2.855 1.00 0.00 C ATOM 890 O ALA A 59 -2.502 0.850 2.400 1.00 0.00 O ATOM 891 CB ALA A 59 -4.222 -0.331 5.047 1.00 0.00 C ATOM 0 H ALA A 59 -2.139 -1.320 3.195 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.024 -0.871 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.941 0.470 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.579 -1.245 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.260 -0.051 5.476 1.00 0.00 H new ATOM 897 N LYS A 60 -4.560 1.677 2.773 1.00 0.00 N ATOM 898 CA LYS A 60 -4.282 2.956 2.131 1.00 0.00 C ATOM 899 C LYS A 60 -4.777 4.115 2.991 1.00 0.00 C ATOM 900 O LYS A 60 -5.877 4.066 3.543 1.00 0.00 O ATOM 901 CB LYS A 60 -4.943 3.012 0.752 1.00 0.00 C ATOM 902 CG LYS A 60 -6.440 3.262 0.804 1.00 0.00 C ATOM 903 CD LYS A 60 -7.117 2.865 -0.497 1.00 0.00 C ATOM 904 CE LYS A 60 -8.619 2.705 -0.317 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.345 2.782 -1.615 1.00 0.00 N ATOM 0 H LYS A 60 -5.506 1.588 3.144 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.202 3.048 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.472 3.800 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.758 2.072 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.876 2.698 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.627 4.317 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.919 3.621 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.691 1.929 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.828 1.747 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.989 3.481 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.365 2.668 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.167 3.706 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.010 2.025 -2.245 1.00 0.00 H new ATOM 919 N VAL A 61 -3.959 5.157 3.100 1.00 0.00 N ATOM 920 CA VAL A 61 -4.315 6.329 3.890 1.00 0.00 C ATOM 921 C VAL A 61 -4.621 7.524 2.994 1.00 0.00 C ATOM 922 O VAL A 61 -3.886 7.809 2.049 1.00 0.00 O ATOM 923 CB VAL A 61 -3.188 6.710 4.868 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.518 8.012 5.583 1.00 0.00 C ATOM 925 CG2 VAL A 61 -2.949 5.589 5.868 1.00 0.00 C ATOM 0 H VAL A 61 -3.045 5.213 2.651 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.207 6.068 4.459 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.271 6.859 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.710 8.265 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.634 8.810 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.446 7.895 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.149 5.875 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.862 5.406 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.664 4.681 5.336 1.00 0.00 H new ATOM 935 N ASP A 62 -5.711 8.220 3.298 1.00 0.00 N ATOM 936 CA ASP A 62 -6.115 9.386 2.521 1.00 0.00 C ATOM 937 C ASP A 62 -5.649 10.674 3.192 1.00 0.00 C ATOM 938 O ASP A 62 -6.053 10.984 4.313 1.00 0.00 O ATOM 939 CB ASP A 62 -7.634 9.409 2.346 1.00 0.00 C ATOM 940 CG ASP A 62 -8.059 10.076 1.053 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.209 10.211 0.147 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.241 10.462 0.945 1.00 0.00 O ATOM 0 H ASP A 62 -6.331 7.997 4.077 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.645 9.318 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.014 8.388 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.086 9.934 3.188 1.00 0.00 H new ATOM 947 N VAL A 63 -4.794 11.421 2.499 1.00 0.00 N ATOM 948 CA VAL A 63 -4.273 12.676 3.028 1.00 0.00 C ATOM 949 C VAL A 63 -5.247 13.823 2.783 1.00 0.00 C ATOM 950 O VAL A 63 -4.844 14.980 2.660 1.00 0.00 O ATOM 951 CB VAL A 63 -2.913 13.028 2.397 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.902 11.921 2.653 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.068 13.285 0.906 1.00 0.00 C ATOM 0 H VAL A 63 -4.448 11.179 1.571 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.143 12.538 4.101 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.542 13.941 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.947 12.188 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.770 11.790 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.263 10.990 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.097 13.532 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.462 12.391 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.756 14.116 0.750 1.00 0.00 H new ATOM 963 N THR A 64 -6.533 13.495 2.714 1.00 0.00 N ATOM 964 CA THR A 64 -7.566 14.497 2.483 1.00 0.00 C ATOM 965 C THR A 64 -8.715 14.339 3.472 1.00 0.00 C ATOM 966 O THR A 64 -9.350 15.319 3.860 1.00 0.00 O ATOM 967 CB THR A 64 -8.122 14.410 1.049 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.734 13.133 0.837 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.017 14.625 0.026 1.00 0.00 C ATOM 0 H THR A 64 -6.884 12.543 2.815 1.00 0.00 H new ATOM 0 HA THR A 64 -7.099 15.472 2.625 1.00 0.00 H new ATOM 0 HB THR A 64 -8.868 15.195 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.086 13.087 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.434 14.559 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.574 15.610 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.251 13.860 0.152 1.00 0.00 H new ATOM 977 N GLU A 65 -8.977 13.100 3.876 1.00 0.00 N ATOM 978 CA GLU A 65 -10.051 12.816 4.820 1.00 0.00 C ATOM 979 C GLU A 65 -9.495 12.573 6.220 1.00 0.00 C ATOM 980 O GLU A 65 -10.162 12.840 7.219 1.00 0.00 O ATOM 981 CB GLU A 65 -10.856 11.599 4.361 1.00 0.00 C ATOM 982 CG GLU A 65 -11.562 11.802 3.031 1.00 0.00 C ATOM 983 CD GLU A 65 -12.243 13.154 2.933 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.091 13.455 3.797 1.00 0.00 O ATOM 985 OE2 GLU A 65 -11.925 13.910 1.990 1.00 0.00 O ATOM 0 H GLU A 65 -8.460 12.277 3.564 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.708 13.685 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.188 10.741 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.597 11.356 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.839 11.704 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.303 11.015 2.893 1.00 0.00 H new ATOM 992 N GLN A 66 -8.269 12.064 6.283 1.00 0.00 N ATOM 993 CA GLN A 66 -7.623 11.783 7.560 1.00 0.00 C ATOM 994 C GLN A 66 -6.538 12.812 7.859 1.00 0.00 C ATOM 995 O GLN A 66 -5.369 12.635 7.517 1.00 0.00 O ATOM 996 CB GLN A 66 -7.021 10.377 7.552 1.00 0.00 C ATOM 997 CG GLN A 66 -8.055 9.273 7.405 1.00 0.00 C ATOM 998 CD GLN A 66 -9.171 9.379 8.425 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.953 9.802 9.560 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.377 8.993 8.024 1.00 0.00 N ATOM 0 H GLN A 66 -7.703 11.838 5.465 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.380 11.842 8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.304 10.303 6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.466 10.223 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.480 9.310 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.565 8.305 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.512 8.649 7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.168 9.041 8.667 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.932 13.916 8.512 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.008 14.995 8.872 1.00 0.00 C ATOM 1011 C PRO A 67 -5.029 14.580 9.964 1.00 0.00 C ATOM 1012 O PRO A 67 -3.915 15.097 10.042 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.936 16.102 9.378 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.156 15.388 9.850 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.310 14.194 8.950 1.00 0.00 C ATOM 0 HA PRO A 67 -5.384 15.295 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.472 16.669 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.174 16.812 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.051 15.081 10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.032 16.034 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.742 13.345 9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.964 14.409 8.105 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.451 13.642 10.807 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.599 13.174 11.883 1.00 0.00 C ATOM 1025 C GLY A 68 -3.407 12.385 11.378 1.00 0.00 C ATOM 1026 O GLY A 68 -2.263 12.821 11.512 1.00 0.00 O ATOM 0 H GLY A 68 -6.368 13.198 10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.247 14.028 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.183 12.550 12.560 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.674 11.221 10.795 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.614 10.369 10.269 1.00 0.00 C ATOM 1032 C LEU A 69 -1.579 11.192 9.510 1.00 0.00 C ATOM 1033 O LEU A 69 -0.379 11.085 9.762 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.203 9.297 9.350 1.00 0.00 C ATOM 1035 CG LEU A 69 -3.982 8.176 10.039 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.744 7.349 9.016 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.044 7.294 10.849 1.00 0.00 C ATOM 0 H LEU A 69 -4.615 10.846 10.675 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.119 9.886 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.864 9.784 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.389 8.849 8.779 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.703 8.627 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.292 6.556 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.445 7.989 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.042 6.908 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.616 6.502 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.299 6.852 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.544 7.895 11.608 1.00 0.00 H new ATOM 1049 N SER A 70 -2.052 12.016 8.580 1.00 0.00 N ATOM 1050 CA SER A 70 -1.167 12.857 7.782 1.00 0.00 C ATOM 1051 C SER A 70 -0.220 13.650 8.677 1.00 0.00 C ATOM 1052 O SER A 70 0.947 13.852 8.341 1.00 0.00 O ATOM 1053 CB SER A 70 -1.986 13.813 6.912 1.00 0.00 C ATOM 1054 OG SER A 70 -1.144 14.597 6.084 1.00 0.00 O ATOM 0 H SER A 70 -3.043 12.119 8.361 1.00 0.00 H new ATOM 0 HA SER A 70 -0.573 12.209 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.680 13.243 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.586 14.465 7.547 1.00 0.00 H new ATOM 0 HG SER A 70 -1.691 15.198 5.537 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.731 14.099 9.819 1.00 0.00 N ATOM 1061 CA GLY A 71 0.082 14.865 10.746 1.00 0.00 C ATOM 1062 C GLY A 71 1.075 14.001 11.498 1.00 0.00 C ATOM 1063 O GLY A 71 2.279 14.256 11.466 1.00 0.00 O ATOM 0 H GLY A 71 -1.694 13.946 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.620 15.639 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.567 15.372 11.460 1.00 0.00 H new ATOM 1067 N ARG A 72 0.569 12.977 12.178 1.00 0.00 N ATOM 1068 CA ARG A 72 1.420 12.074 12.944 1.00 0.00 C ATOM 1069 C ARG A 72 2.452 11.404 12.042 1.00 0.00 C ATOM 1070 O ARG A 72 3.656 11.610 12.198 1.00 0.00 O ATOM 1071 CB ARG A 72 0.572 11.011 13.644 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.505 11.589 14.548 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.695 10.650 14.668 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.431 10.855 15.913 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.476 10.122 16.278 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.906 9.140 15.498 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.094 10.370 17.426 1.00 0.00 N ATOM 0 H ARG A 72 -0.425 12.752 12.214 1.00 0.00 H new ATOM 0 HA ARG A 72 1.947 12.662 13.696 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.101 10.380 12.890 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.225 10.369 14.235 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.088 11.778 15.537 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.836 12.549 14.153 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.365 10.803 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.349 9.618 14.617 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.125 11.602 16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.434 8.946 14.615 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.709 8.578 15.781 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.766 11.125 18.029 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.897 9.806 17.705 1.00 0.00 H new ATOM 1091 N PHE A 73 1.973 10.600 11.098 1.00 0.00 N ATOM 1092 CA PHE A 73 2.854 9.897 10.172 1.00 0.00 C ATOM 1093 C PHE A 73 3.521 10.875 9.209 1.00 0.00 C ATOM 1094 O PHE A 73 3.134 10.977 8.045 1.00 0.00 O ATOM 1095 CB PHE A 73 2.068 8.845 9.387 1.00 0.00 C ATOM 1096 CG PHE A 73 1.795 7.593 10.169 1.00 0.00 C ATOM 1097 CD1 PHE A 73 2.706 6.548 10.170 1.00 0.00 C ATOM 1098 CD2 PHE A 73 0.628 7.459 10.904 1.00 0.00 C ATOM 1099 CE1 PHE A 73 2.458 5.394 10.889 1.00 0.00 C ATOM 1100 CE2 PHE A 73 0.375 6.308 11.625 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.291 5.274 11.617 1.00 0.00 C ATOM 0 H PHE A 73 0.980 10.419 10.954 1.00 0.00 H new ATOM 0 HA PHE A 73 3.631 9.400 10.753 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.120 9.277 9.065 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.623 8.587 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.620 6.637 9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.092 8.264 10.913 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.176 4.587 10.881 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.538 6.217 12.194 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.095 4.373 12.179 1.00 0.00 H new ATOM 1111 N ILE A 74 4.525 11.591 9.704 1.00 0.00 N ATOM 1112 CA ILE A 74 5.246 12.560 8.888 1.00 0.00 C ATOM 1113 C ILE A 74 5.283 12.128 7.426 1.00 0.00 C ATOM 1114 O ILE A 74 5.755 11.037 7.102 1.00 0.00 O ATOM 1115 CB ILE A 74 6.689 12.756 9.390 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.418 11.413 9.450 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.687 13.425 10.756 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.820 10.444 10.445 1.00 0.00 C ATOM 0 H ILE A 74 4.857 11.518 10.666 1.00 0.00 H new ATOM 0 HA ILE A 74 4.709 13.505 8.972 1.00 0.00 H new ATOM 0 HB ILE A 74 7.217 13.403 8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.406 10.958 8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.463 11.587 9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.714 13.557 11.098 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.201 14.398 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.145 12.800 11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.388 9.514 10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.857 10.879 11.444 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.784 10.240 10.176 1.00 0.00 H new ATOM 1130 N ILE A 75 4.785 12.990 6.547 1.00 0.00 N ATOM 1131 CA ILE A 75 4.764 12.699 5.119 1.00 0.00 C ATOM 1132 C ILE A 75 5.559 13.737 4.334 1.00 0.00 C ATOM 1133 O ILE A 75 6.677 13.474 3.892 1.00 0.00 O ATOM 1134 CB ILE A 75 3.324 12.653 4.574 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.566 11.469 5.178 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.335 12.563 3.056 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.385 10.199 5.250 1.00 0.00 C ATOM 0 H ILE A 75 4.390 13.896 6.799 1.00 0.00 H new ATOM 0 HA ILE A 75 5.224 11.719 4.991 1.00 0.00 H new ATOM 0 HB ILE A 75 2.813 13.572 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.234 11.735 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.671 11.281 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.310 12.531 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.843 13.435 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.860 11.658 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.784 9.403 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.695 9.909 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.267 10.369 5.867 1.00 0.00 H new ATOM 1149 N ASN A 76 4.975 14.919 4.167 1.00 0.00 N ATOM 1150 CA ASN A 76 5.630 15.998 3.436 1.00 0.00 C ATOM 1151 C ASN A 76 6.303 15.470 2.173 1.00 0.00 C ATOM 1152 O ASN A 76 7.278 16.046 1.691 1.00 0.00 O ATOM 1153 CB ASN A 76 6.663 16.692 4.327 1.00 0.00 C ATOM 1154 CG ASN A 76 6.068 17.171 5.637 1.00 0.00 C ATOM 1155 OD1 ASN A 76 5.248 18.089 5.659 1.00 0.00 O ATOM 1156 ND2 ASN A 76 6.481 16.551 6.736 1.00 0.00 N ATOM 0 H ASN A 76 4.050 15.154 4.528 1.00 0.00 H new ATOM 0 HA ASN A 76 4.868 16.721 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.482 16.003 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.088 17.541 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.117 16.831 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.162 15.795 6.670 1.00 0.00 H new ATOM 1163 N ALA A 77 5.775 14.372 1.642 1.00 0.00 N ATOM 1164 CA ALA A 77 6.323 13.768 0.434 1.00 0.00 C ATOM 1165 C ALA A 77 5.467 12.595 -0.029 1.00 0.00 C ATOM 1166 O ALA A 77 5.131 11.708 0.757 1.00 0.00 O ATOM 1167 CB ALA A 77 7.756 13.316 0.673 1.00 0.00 C ATOM 0 H ALA A 77 4.968 13.883 2.030 1.00 0.00 H new ATOM 0 HA ALA A 77 6.318 14.521 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.152 12.867 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.367 14.175 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.776 12.582 1.478 1.00 0.00 H new ATOM 1173 N LEU A 78 5.115 12.595 -1.311 1.00 0.00 N ATOM 1174 CA LEU A 78 4.297 11.530 -1.880 1.00 0.00 C ATOM 1175 C LEU A 78 4.726 11.218 -3.309 1.00 0.00 C ATOM 1176 O LEU A 78 5.233 12.075 -4.033 1.00 0.00 O ATOM 1177 CB LEU A 78 2.819 11.926 -1.853 1.00 0.00 C ATOM 1178 CG LEU A 78 2.250 12.306 -0.486 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.050 13.226 -0.644 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.869 11.059 0.298 1.00 0.00 C ATOM 0 H LEU A 78 5.384 13.321 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 78 4.438 10.634 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.677 12.768 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.234 11.096 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 78 3.020 12.840 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.659 13.486 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.354 14.134 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.276 12.719 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.466 11.348 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.116 10.497 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.752 10.436 0.443 1.00 0.00 H new ATOM 1192 N PRO A 79 4.518 9.961 -3.729 1.00 0.00 N ATOM 1193 CA PRO A 79 3.916 8.931 -2.877 1.00 0.00 C ATOM 1194 C PRO A 79 4.841 8.503 -1.743 1.00 0.00 C ATOM 1195 O PRO A 79 6.018 8.865 -1.718 1.00 0.00 O ATOM 1196 CB PRO A 79 3.678 7.767 -3.842 1.00 0.00 C ATOM 1197 CG PRO A 79 4.682 7.961 -4.925 1.00 0.00 C ATOM 1198 CD PRO A 79 4.854 9.448 -5.068 1.00 0.00 C ATOM 0 HA PRO A 79 3.011 9.287 -2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.813 6.807 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.662 7.782 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.627 7.481 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.339 7.516 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.873 9.709 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.193 9.857 -5.832 1.00 0.00 H new ATOM 1206 N THR A 80 4.303 7.730 -0.806 1.00 0.00 N ATOM 1207 CA THR A 80 5.080 7.253 0.331 1.00 0.00 C ATOM 1208 C THR A 80 4.466 5.991 0.926 1.00 0.00 C ATOM 1209 O THR A 80 3.261 5.931 1.170 1.00 0.00 O ATOM 1210 CB THR A 80 5.184 8.327 1.431 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.972 9.429 0.966 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.806 7.750 2.693 1.00 0.00 C ATOM 0 H THR A 80 3.331 7.420 -0.812 1.00 0.00 H new ATOM 0 HA THR A 80 6.079 7.027 -0.042 1.00 0.00 H new ATOM 0 HB THR A 80 4.178 8.674 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.383 10.178 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.869 8.527 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.189 6.930 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.806 7.379 2.469 1.00 0.00 H new ATOM 1220 N ILE A 81 5.303 4.985 1.158 1.00 0.00 N ATOM 1221 CA ILE A 81 4.841 3.724 1.727 1.00 0.00 C ATOM 1222 C ILE A 81 5.516 3.446 3.065 1.00 0.00 C ATOM 1223 O ILE A 81 6.696 3.744 3.252 1.00 0.00 O ATOM 1224 CB ILE A 81 5.110 2.545 0.774 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.358 2.744 -0.544 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.706 1.232 1.428 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.903 1.910 -1.682 1.00 0.00 C ATOM 0 H ILE A 81 6.303 5.018 0.961 1.00 0.00 H new ATOM 0 HA ILE A 81 3.766 3.820 1.878 1.00 0.00 H new ATOM 0 HB ILE A 81 6.178 2.507 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.307 2.497 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.402 3.797 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.902 0.408 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.282 1.088 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.643 1.258 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.322 2.102 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.946 2.173 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.834 0.853 -1.424 1.00 0.00 H new ATOM 1239 N TYR A 82 4.761 2.870 3.994 1.00 0.00 N ATOM 1240 CA TYR A 82 5.285 2.551 5.317 1.00 0.00 C ATOM 1241 C TYR A 82 4.996 1.098 5.681 1.00 0.00 C ATOM 1242 O TYR A 82 3.857 0.638 5.591 1.00 0.00 O ATOM 1243 CB TYR A 82 4.679 3.483 6.367 1.00 0.00 C ATOM 1244 CG TYR A 82 5.487 4.739 6.601 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.693 4.695 7.289 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.045 5.970 6.133 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.434 5.841 7.506 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.780 7.121 6.343 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.974 7.051 7.031 1.00 0.00 C ATOM 1250 OH TYR A 82 7.710 8.194 7.243 1.00 0.00 O ATOM 0 H TYR A 82 3.783 2.614 3.855 1.00 0.00 H new ATOM 0 HA TYR A 82 6.366 2.693 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.672 3.762 6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.583 2.942 7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.058 3.749 7.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.110 6.028 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.369 5.789 8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.422 8.070 5.971 1.00 0.00 H new ATOM 0 HH TYR A 82 7.247 8.960 6.844 1.00 0.00 H new ATOM 1260 N HIS A 83 6.035 0.381 6.095 1.00 0.00 N ATOM 1261 CA HIS A 83 5.894 -1.020 6.476 1.00 0.00 C ATOM 1262 C HIS A 83 5.869 -1.171 7.993 1.00 0.00 C ATOM 1263 O HIS A 83 6.900 -1.051 8.656 1.00 0.00 O ATOM 1264 CB HIS A 83 7.038 -1.848 5.888 1.00 0.00 C ATOM 1265 CG HIS A 83 7.012 -3.286 6.305 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.904 -3.825 7.207 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.193 -4.300 5.938 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.637 -5.107 7.376 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.602 -5.420 6.618 1.00 0.00 N ATOM 0 H HIS A 83 6.984 0.747 6.175 1.00 0.00 H new ATOM 0 HA HIS A 83 4.948 -1.386 6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.994 -1.793 4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.988 -1.407 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.371 -4.239 5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.174 -5.784 8.024 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.176 -6.344 6.549 1.00 0.00 H new ATOM 1278 N CYS A 84 4.686 -1.434 8.537 1.00 0.00 N ATOM 1279 CA CYS A 84 4.526 -1.600 9.978 1.00 0.00 C ATOM 1280 C CYS A 84 4.462 -3.077 10.351 1.00 0.00 C ATOM 1281 O CYS A 84 3.582 -3.807 9.895 1.00 0.00 O ATOM 1282 CB CYS A 84 3.262 -0.885 10.457 1.00 0.00 C ATOM 1283 SG CYS A 84 3.184 -0.644 12.247 1.00 0.00 S ATOM 0 H CYS A 84 3.823 -1.537 8.002 1.00 0.00 H new ATOM 0 HA CYS A 84 5.393 -1.158 10.469 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.199 0.087 9.967 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.391 -1.458 10.140 1.00 0.00 H new ATOM 0 HG CYS A 84 3.082 0.625 12.510 1.00 0.00 H new ATOM 1289 N LYS A 85 5.403 -3.513 11.183 1.00 0.00 N ATOM 1290 CA LYS A 85 5.455 -4.903 11.618 1.00 0.00 C ATOM 1291 C LYS A 85 5.531 -4.995 13.139 1.00 0.00 C ATOM 1292 O LYS A 85 6.459 -4.471 13.756 1.00 0.00 O ATOM 1293 CB LYS A 85 6.660 -5.610 10.994 1.00 0.00 C ATOM 1294 CG LYS A 85 6.701 -7.103 11.271 1.00 0.00 C ATOM 1295 CD LYS A 85 8.094 -7.672 11.056 1.00 0.00 C ATOM 1296 CE LYS A 85 8.114 -9.181 11.244 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.383 -9.560 12.659 1.00 0.00 N ATOM 0 H LYS A 85 6.140 -2.923 11.569 1.00 0.00 H new ATOM 0 HA LYS A 85 4.541 -5.395 11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.646 -5.449 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.574 -5.154 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.384 -7.293 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.993 -7.615 10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.438 -7.425 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.790 -7.208 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.157 -9.599 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.877 -9.617 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.094 -10.547 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.399 -9.461 12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.844 -8.937 13.294 1.00 0.00 H new ATOM 1311 N ASP A 86 4.552 -5.664 13.737 1.00 0.00 N ATOM 1312 CA ASP A 86 4.509 -5.826 15.185 1.00 0.00 C ATOM 1313 C ASP A 86 4.785 -4.501 15.889 1.00 0.00 C ATOM 1314 O ASP A 86 5.407 -4.467 16.949 1.00 0.00 O ATOM 1315 CB ASP A 86 5.528 -6.876 15.633 1.00 0.00 C ATOM 1316 CG ASP A 86 5.462 -8.139 14.797 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.338 -8.594 14.498 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.534 -8.673 14.442 1.00 0.00 O ATOM 0 H ASP A 86 3.777 -6.103 13.241 1.00 0.00 H new ATOM 0 HA ASP A 86 3.508 -6.161 15.458 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.531 -6.454 15.571 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.352 -7.126 16.679 1.00 0.00 H new ATOM 1323 N GLY A 87 4.317 -3.410 15.289 1.00 0.00 N ATOM 1324 CA GLY A 87 4.524 -2.097 15.872 1.00 0.00 C ATOM 1325 C GLY A 87 5.626 -1.322 15.178 1.00 0.00 C ATOM 1326 O GLY A 87 5.463 -0.143 14.866 1.00 0.00 O ATOM 0 H GLY A 87 3.799 -3.412 14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.595 -1.529 15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.771 -2.207 16.928 1.00 0.00 H new ATOM 1330 N GLU A 88 6.753 -1.985 14.938 1.00 0.00 N ATOM 1331 CA GLU A 88 7.888 -1.349 14.279 1.00 0.00 C ATOM 1332 C GLU A 88 7.450 -0.650 12.995 1.00 0.00 C ATOM 1333 O GLU A 88 6.468 -1.043 12.365 1.00 0.00 O ATOM 1334 CB GLU A 88 8.970 -2.385 13.965 1.00 0.00 C ATOM 1335 CG GLU A 88 9.628 -2.972 15.202 1.00 0.00 C ATOM 1336 CD GLU A 88 10.359 -1.929 16.024 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.183 -1.188 15.448 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.107 -1.853 17.245 1.00 0.00 O ATOM 0 H GLU A 88 6.904 -2.962 15.190 1.00 0.00 H new ATOM 0 HA GLU A 88 8.297 -0.601 14.958 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.529 -3.193 13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.735 -1.922 13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.869 -3.450 15.821 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.330 -3.750 14.901 1.00 0.00 H new ATOM 1345 N PHE A 89 8.185 0.389 12.614 1.00 0.00 N ATOM 1346 CA PHE A 89 7.872 1.145 11.407 1.00 0.00 C ATOM 1347 C PHE A 89 9.101 1.273 10.511 1.00 0.00 C ATOM 1348 O PHE A 89 10.122 1.828 10.917 1.00 0.00 O ATOM 1349 CB PHE A 89 7.346 2.535 11.771 1.00 0.00 C ATOM 1350 CG PHE A 89 5.970 2.516 12.373 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.799 2.362 13.740 1.00 0.00 C ATOM 1352 CD2 PHE A 89 4.847 2.653 11.573 1.00 0.00 C ATOM 1353 CE1 PHE A 89 4.534 2.343 14.296 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.579 2.635 12.123 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.423 2.481 13.487 1.00 0.00 C ATOM 0 H PHE A 89 9.002 0.727 13.123 1.00 0.00 H new ATOM 0 HA PHE A 89 7.100 0.604 10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.035 3.003 12.474 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.334 3.156 10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.664 2.256 14.378 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.964 2.775 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.414 2.220 15.362 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.712 2.741 11.488 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.434 2.469 13.920 1.00 0.00 H new ATOM 1365 N ARG A 90 8.994 0.755 9.292 1.00 0.00 N ATOM 1366 CA ARG A 90 10.096 0.809 8.340 1.00 0.00 C ATOM 1367 C ARG A 90 9.624 1.343 6.991 1.00 0.00 C ATOM 1368 O ARG A 90 8.824 0.705 6.305 1.00 0.00 O ATOM 1369 CB ARG A 90 10.714 -0.579 8.163 1.00 0.00 C ATOM 1370 CG ARG A 90 11.644 -0.981 9.296 1.00 0.00 C ATOM 1371 CD ARG A 90 12.680 -1.994 8.835 1.00 0.00 C ATOM 1372 NE ARG A 90 13.633 -2.323 9.891 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.335 -3.085 10.938 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.117 -3.595 11.066 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.256 -3.340 11.858 1.00 0.00 N ATOM 0 H ARG A 90 8.155 0.293 8.941 1.00 0.00 H new ATOM 0 HA ARG A 90 10.851 1.488 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.915 -1.316 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.267 -0.604 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.147 -0.096 9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.061 -1.403 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.176 -2.903 8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.217 -1.597 7.973 1.00 0.00 H new ATOM 0 HE ARG A 90 14.579 -1.948 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.407 -3.403 10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.891 -4.180 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.194 -2.951 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.026 -3.925 12.661 1.00 0.00 H new ATOM 1389 N ARG A 91 10.122 2.516 6.617 1.00 0.00 N ATOM 1390 CA ARG A 91 9.750 3.136 5.351 1.00 0.00 C ATOM 1391 C ARG A 91 10.099 2.227 4.176 1.00 0.00 C ATOM 1392 O ARG A 91 11.225 1.743 4.067 1.00 0.00 O ATOM 1393 CB ARG A 91 10.454 4.485 5.192 1.00 0.00 C ATOM 1394 CG ARG A 91 10.030 5.251 3.950 1.00 0.00 C ATOM 1395 CD ARG A 91 10.315 6.738 4.088 1.00 0.00 C ATOM 1396 NE ARG A 91 11.747 7.015 4.175 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.280 8.210 3.943 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.504 9.233 3.612 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.591 8.383 4.042 1.00 0.00 N ATOM 0 H ARG A 91 10.785 3.057 7.173 1.00 0.00 H new ATOM 0 HA ARG A 91 8.672 3.295 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.253 5.096 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.531 4.321 5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.557 4.858 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.965 5.098 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.894 7.269 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.817 7.122 4.978 1.00 0.00 H new ATOM 0 HE ARG A 91 12.372 6.249 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.495 9.104 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.916 10.149 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.191 7.598 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.999 9.301 3.864 1.00 0.00 H new ATOM 1413 N TYR A 92 9.125 1.999 3.302 1.00 0.00 N ATOM 1414 CA TYR A 92 9.328 1.145 2.137 1.00 0.00 C ATOM 1415 C TYR A 92 10.638 1.488 1.433 1.00 0.00 C ATOM 1416 O TYR A 92 11.542 0.657 1.344 1.00 0.00 O ATOM 1417 CB TYR A 92 8.159 1.291 1.162 1.00 0.00 C ATOM 1418 CG TYR A 92 8.139 0.236 0.079 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.063 -1.114 0.397 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.195 0.590 -1.264 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.046 -2.081 -0.589 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.177 -0.370 -2.257 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.103 -1.704 -1.915 1.00 0.00 C ATOM 1424 OH TYR A 92 8.084 -2.664 -2.901 1.00 0.00 O ATOM 0 H TYR A 92 8.187 2.393 3.378 1.00 0.00 H new ATOM 0 HA TYR A 92 9.380 0.112 2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.224 1.245 1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.205 2.276 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.016 -1.413 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.254 1.634 -1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.988 -3.126 -0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.221 -0.077 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 92 7.177 -2.744 -3.262 1.00 0.00 H new ATOM 1434 N GLN A 93 10.730 2.716 0.934 1.00 0.00 N ATOM 1435 CA GLN A 93 11.929 3.169 0.238 1.00 0.00 C ATOM 1436 C GLN A 93 12.200 2.310 -0.993 1.00 0.00 C ATOM 1437 O GLN A 93 13.316 1.834 -1.196 1.00 0.00 O ATOM 1438 CB GLN A 93 13.135 3.131 1.177 1.00 0.00 C ATOM 1439 CG GLN A 93 13.132 4.239 2.217 1.00 0.00 C ATOM 1440 CD GLN A 93 14.476 4.405 2.898 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.171 3.427 3.173 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.851 5.649 3.173 1.00 0.00 N ATOM 0 H GLN A 93 9.990 3.415 0.998 1.00 0.00 H new ATOM 0 HA GLN A 93 11.764 4.196 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.159 2.167 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.048 3.202 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.852 5.178 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.372 4.024 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.244 6.431 2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.746 5.823 3.630 1.00 0.00 H new ATOM 1451 N GLY A 94 11.171 2.117 -1.812 1.00 0.00 N ATOM 1452 CA GLY A 94 11.319 1.315 -3.013 1.00 0.00 C ATOM 1453 C GLY A 94 10.675 1.960 -4.224 1.00 0.00 C ATOM 1454 O GLY A 94 10.088 3.039 -4.141 1.00 0.00 O ATOM 0 H GLY A 94 10.238 2.501 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.379 1.155 -3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.874 0.334 -2.848 1.00 0.00 H new ATOM 1458 N PRO A 95 10.783 1.292 -5.382 1.00 0.00 N ATOM 1459 CA PRO A 95 10.214 1.789 -6.638 1.00 0.00 C ATOM 1460 C PRO A 95 8.689 1.744 -6.642 1.00 0.00 C ATOM 1461 O PRO A 95 8.041 2.428 -7.434 1.00 0.00 O ATOM 1462 CB PRO A 95 10.779 0.829 -7.688 1.00 0.00 C ATOM 1463 CG PRO A 95 11.065 -0.426 -6.939 1.00 0.00 C ATOM 1464 CD PRO A 95 11.469 0.001 -5.555 1.00 0.00 C ATOM 0 HA PRO A 95 10.468 2.834 -6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.063 0.656 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.682 1.231 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.187 -1.071 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.861 -0.995 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.156 -0.724 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.550 0.106 -5.466 1.00 0.00 H new ATOM 1472 N ARG A 96 8.124 0.936 -5.752 1.00 0.00 N ATOM 1473 CA ARG A 96 6.675 0.802 -5.653 1.00 0.00 C ATOM 1474 C ARG A 96 6.117 0.037 -6.850 1.00 0.00 C ATOM 1475 O ARG A 96 5.150 0.467 -7.480 1.00 0.00 O ATOM 1476 CB ARG A 96 6.019 2.181 -5.564 1.00 0.00 C ATOM 1477 CG ARG A 96 6.708 3.121 -4.589 1.00 0.00 C ATOM 1478 CD ARG A 96 5.870 4.364 -4.327 1.00 0.00 C ATOM 1479 NE ARG A 96 6.662 5.445 -3.747 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.635 6.074 -4.397 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.934 5.731 -5.643 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.310 7.049 -3.802 1.00 0.00 N ATOM 0 H ARG A 96 8.647 0.364 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 96 6.448 0.240 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.015 2.637 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.978 2.060 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.893 2.601 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.679 3.413 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.423 4.703 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.050 4.113 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 96 6.457 5.733 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.416 4.983 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.681 6.215 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.082 7.316 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.057 7.531 -4.302 1.00 0.00 H new ATOM 1496 N THR A 97 6.734 -1.099 -7.159 1.00 0.00 N ATOM 1497 CA THR A 97 6.301 -1.923 -8.281 1.00 0.00 C ATOM 1498 C THR A 97 5.844 -3.299 -7.809 1.00 0.00 C ATOM 1499 O THR A 97 6.474 -3.911 -6.946 1.00 0.00 O ATOM 1500 CB THR A 97 7.426 -2.096 -9.319 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.577 -2.680 -8.700 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.801 -0.758 -9.938 1.00 0.00 C ATOM 0 H THR A 97 7.535 -1.470 -6.648 1.00 0.00 H new ATOM 0 HA THR A 97 5.463 -1.405 -8.748 1.00 0.00 H new ATOM 0 HB THR A 97 7.064 -2.755 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.366 -2.133 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.597 -0.905 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.930 -0.329 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.145 -0.080 -9.157 1.00 0.00 H new ATOM 1510 N LYS A 98 4.746 -3.781 -8.381 1.00 0.00 N ATOM 1511 CA LYS A 98 4.205 -5.086 -8.020 1.00 0.00 C ATOM 1512 C LYS A 98 5.324 -6.056 -7.655 1.00 0.00 C ATOM 1513 O LYS A 98 5.383 -6.558 -6.532 1.00 0.00 O ATOM 1514 CB LYS A 98 3.379 -5.655 -9.176 1.00 0.00 C ATOM 1515 CG LYS A 98 2.223 -6.530 -8.723 1.00 0.00 C ATOM 1516 CD LYS A 98 1.795 -7.498 -9.814 1.00 0.00 C ATOM 1517 CE LYS A 98 2.752 -8.676 -9.920 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.789 -9.238 -11.298 1.00 0.00 N ATOM 0 H LYS A 98 4.213 -3.287 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 98 3.561 -4.958 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.988 -4.831 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.032 -6.237 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.515 -7.089 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.378 -5.901 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.789 -7.862 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.752 -6.975 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.753 -8.357 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.450 -9.454 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.452 -10.038 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.839 -9.565 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.102 -8.503 -11.964 1.00 0.00 H new ATOM 1532 N LYS A 99 6.211 -6.316 -8.610 1.00 0.00 N ATOM 1533 CA LYS A 99 7.331 -7.224 -8.388 1.00 0.00 C ATOM 1534 C LYS A 99 8.082 -6.860 -7.112 1.00 0.00 C ATOM 1535 O LYS A 99 8.059 -7.607 -6.133 1.00 0.00 O ATOM 1536 CB LYS A 99 8.287 -7.188 -9.583 1.00 0.00 C ATOM 1537 CG LYS A 99 9.600 -7.910 -9.333 1.00 0.00 C ATOM 1538 CD LYS A 99 10.716 -7.354 -10.202 1.00 0.00 C ATOM 1539 CE LYS A 99 11.454 -6.222 -9.503 1.00 0.00 C ATOM 1540 NZ LYS A 99 10.843 -4.897 -9.798 1.00 0.00 N ATOM 0 H LYS A 99 6.176 -5.911 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 99 6.933 -8.233 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.794 -7.636 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.496 -6.149 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.874 -7.815 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.476 -8.974 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.418 -8.150 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.301 -6.993 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.447 -6.394 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.497 -6.219 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.524 -4.309 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.987 -5.030 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.590 -4.425 -8.906 1.00 0.00 H new ATOM 1554 N ASP A 100 8.745 -5.709 -7.128 1.00 0.00 N ATOM 1555 CA ASP A 100 9.501 -5.246 -5.970 1.00 0.00 C ATOM 1556 C ASP A 100 8.778 -5.598 -4.673 1.00 0.00 C ATOM 1557 O ASP A 100 9.323 -6.294 -3.817 1.00 0.00 O ATOM 1558 CB ASP A 100 9.723 -3.735 -6.051 1.00 0.00 C ATOM 1559 CG ASP A 100 10.994 -3.375 -6.794 1.00 0.00 C ATOM 1560 OD1 ASP A 100 12.086 -3.529 -6.208 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.898 -2.939 -7.960 1.00 0.00 O ATOM 0 H ASP A 100 8.774 -5.079 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 100 10.468 -5.748 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.871 -3.272 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.766 -3.323 -5.043 1.00 0.00 H new ATOM 1566 N PHE A 101 7.550 -5.111 -4.535 1.00 0.00 N ATOM 1567 CA PHE A 101 6.753 -5.372 -3.342 1.00 0.00 C ATOM 1568 C PHE A 101 6.997 -6.787 -2.824 1.00 0.00 C ATOM 1569 O PHE A 101 7.518 -6.975 -1.725 1.00 0.00 O ATOM 1570 CB PHE A 101 5.266 -5.176 -3.643 1.00 0.00 C ATOM 1571 CG PHE A 101 4.840 -3.736 -3.647 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.133 -2.910 -2.574 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.146 -3.208 -4.724 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.742 -1.584 -2.575 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.752 -1.883 -4.731 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.051 -1.070 -3.655 1.00 0.00 C ATOM 0 H PHE A 101 7.084 -4.533 -5.235 1.00 0.00 H new ATOM 0 HA PHE A 101 7.056 -4.664 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.039 -5.616 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.679 -5.718 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.673 -3.307 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.910 -3.839 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.977 -0.951 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.211 -1.484 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.745 -0.034 -3.658 1.00 0.00 H new ATOM 1586 N ILE A 102 6.616 -7.777 -3.624 1.00 0.00 N ATOM 1587 CA ILE A 102 6.794 -9.174 -3.248 1.00 0.00 C ATOM 1588 C ILE A 102 8.100 -9.377 -2.488 1.00 0.00 C ATOM 1589 O ILE A 102 8.095 -9.681 -1.296 1.00 0.00 O ATOM 1590 CB ILE A 102 6.783 -10.095 -4.482 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.386 -10.131 -5.106 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.235 -11.497 -4.101 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.201 -9.135 -6.230 1.00 0.00 C ATOM 0 H ILE A 102 6.182 -7.638 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 102 5.956 -9.436 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 102 7.480 -9.698 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.192 -11.134 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.645 -9.934 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.222 -12.136 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.247 -11.456 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.561 -11.905 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.188 -9.216 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.363 -8.126 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.918 -9.345 -7.024 1.00 0.00 H new ATOM 1605 N ASN A 103 9.218 -9.204 -3.186 1.00 0.00 N ATOM 1606 CA ASN A 103 10.533 -9.367 -2.577 1.00 0.00 C ATOM 1607 C ASN A 103 10.590 -8.679 -1.216 1.00 0.00 C ATOM 1608 O ASN A 103 10.960 -9.292 -0.214 1.00 0.00 O ATOM 1609 CB ASN A 103 11.617 -8.799 -3.495 1.00 0.00 C ATOM 1610 CG ASN A 103 11.481 -9.290 -4.923 1.00 0.00 C ATOM 1611 OD1 ASN A 103 12.104 -10.278 -5.313 1.00 0.00 O ATOM 1612 ND2 ASN A 103 10.664 -8.600 -5.710 1.00 0.00 N ATOM 0 H ASN A 103 9.239 -8.951 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 103 10.711 -10.433 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.567 -7.710 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.598 -9.077 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.532 -8.882 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.168 -7.788 -5.343 1.00 0.00 H new ATOM 1619 N PHE A 104 10.223 -7.402 -1.189 1.00 0.00 N ATOM 1620 CA PHE A 104 10.233 -6.630 0.049 1.00 0.00 C ATOM 1621 C PHE A 104 9.566 -7.408 1.180 1.00 0.00 C ATOM 1622 O PHE A 104 9.928 -7.257 2.348 1.00 0.00 O ATOM 1623 CB PHE A 104 9.520 -5.292 -0.155 1.00 0.00 C ATOM 1624 CG PHE A 104 9.496 -4.432 1.077 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.626 -3.734 1.472 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.345 -4.323 1.839 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.607 -2.941 2.604 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.320 -3.532 2.972 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.453 -2.841 3.356 1.00 0.00 C ATOM 0 H PHE A 104 9.915 -6.880 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 104 11.271 -6.443 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.012 -4.746 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.496 -5.480 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.532 -3.810 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.457 -4.862 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.494 -2.400 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.415 -3.454 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.436 -2.224 4.242 1.00 0.00 H new ATOM 1639 N ILE A 105 8.592 -8.238 0.825 1.00 0.00 N ATOM 1640 CA ILE A 105 7.875 -9.039 1.810 1.00 0.00 C ATOM 1641 C ILE A 105 8.549 -10.391 2.014 1.00 0.00 C ATOM 1642 O ILE A 105 9.028 -10.700 3.106 1.00 0.00 O ATOM 1643 CB ILE A 105 6.410 -9.266 1.393 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.689 -7.926 1.231 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.697 -10.138 2.416 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.632 -7.114 2.506 1.00 0.00 C ATOM 0 H ILE A 105 8.281 -8.374 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 105 7.895 -8.480 2.746 1.00 0.00 H new ATOM 0 HB ILE A 105 6.397 -9.782 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.192 -7.342 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.673 -8.109 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.663 -10.289 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.200 -11.103 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.717 -9.648 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.107 -6.177 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.103 -7.679 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.645 -6.900 2.847 1.00 0.00 H new ATOM 1658 N SER A 106 8.585 -11.194 0.956 1.00 0.00 N ATOM 1659 CA SER A 106 9.199 -12.516 1.019 1.00 0.00 C ATOM 1660 C SER A 106 10.648 -12.419 1.487 1.00 0.00 C ATOM 1661 O SER A 106 11.047 -13.078 2.447 1.00 0.00 O ATOM 1662 CB SER A 106 9.138 -13.196 -0.351 1.00 0.00 C ATOM 1663 OG SER A 106 9.657 -12.351 -1.363 1.00 0.00 O ATOM 0 H SER A 106 8.196 -10.953 0.044 1.00 0.00 H new ATOM 0 HA SER A 106 8.641 -13.115 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.705 -14.127 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.106 -13.458 -0.585 1.00 0.00 H new ATOM 0 HG SER A 106 9.608 -12.809 -2.228 1.00 0.00 H new ATOM 1669 N ASP A 107 11.431 -11.594 0.801 1.00 0.00 N ATOM 1670 CA ASP A 107 12.836 -11.409 1.145 1.00 0.00 C ATOM 1671 C ASP A 107 12.982 -10.501 2.362 1.00 0.00 C ATOM 1672 O ASP A 107 14.088 -10.093 2.717 1.00 0.00 O ATOM 1673 CB ASP A 107 13.601 -10.821 -0.041 1.00 0.00 C ATOM 1674 CG ASP A 107 13.934 -11.863 -1.090 1.00 0.00 C ATOM 1675 OD1 ASP A 107 14.349 -12.977 -0.708 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.780 -11.565 -2.293 1.00 0.00 O ATOM 0 H ASP A 107 11.116 -11.042 0.003 1.00 0.00 H new ATOM 0 HA ASP A 107 13.256 -12.385 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.007 -10.029 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.523 -10.362 0.317 1.00 0.00 H new ATOM 1681 N LYS A 108 11.858 -10.186 2.997 1.00 0.00 N ATOM 1682 CA LYS A 108 11.859 -9.326 4.175 1.00 0.00 C ATOM 1683 C LYS A 108 12.919 -8.235 4.051 1.00 0.00 C ATOM 1684 O LYS A 108 13.649 -7.957 5.001 1.00 0.00 O ATOM 1685 CB LYS A 108 12.110 -10.155 5.437 1.00 0.00 C ATOM 1686 CG LYS A 108 11.063 -11.228 5.678 1.00 0.00 C ATOM 1687 CD LYS A 108 11.652 -12.430 6.398 1.00 0.00 C ATOM 1688 CE LYS A 108 10.738 -13.641 6.300 1.00 0.00 C ATOM 1689 NZ LYS A 108 9.501 -13.469 7.111 1.00 0.00 N ATOM 0 H LYS A 108 10.934 -10.514 2.715 1.00 0.00 H new ATOM 0 HA LYS A 108 10.881 -8.851 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.090 -10.626 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.140 -9.489 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.245 -10.814 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.640 -11.545 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.625 -12.671 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.818 -12.182 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.468 -13.809 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.273 -14.528 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.904 -14.316 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.757 -13.334 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.977 -12.637 6.772 1.00 0.00 H new ATOM 1703 N GLU A 109 12.994 -7.621 2.874 1.00 0.00 N ATOM 1704 CA GLU A 109 13.964 -6.560 2.628 1.00 0.00 C ATOM 1705 C GLU A 109 13.881 -5.486 3.709 1.00 0.00 C ATOM 1706 O GLU A 109 14.868 -4.814 4.008 1.00 0.00 O ATOM 1707 CB GLU A 109 13.730 -5.934 1.252 1.00 0.00 C ATOM 1708 CG GLU A 109 13.812 -6.931 0.108 1.00 0.00 C ATOM 1709 CD GLU A 109 13.802 -6.260 -1.252 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.040 -5.286 -1.427 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.554 -6.709 -2.141 1.00 0.00 O ATOM 0 H GLU A 109 12.396 -7.840 2.077 1.00 0.00 H new ATOM 0 HA GLU A 109 14.961 -7.000 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.749 -5.460 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.466 -5.147 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.722 -7.522 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.973 -7.624 0.174 1.00 0.00 H new ATOM 1718 N TRP A 110 12.697 -5.329 4.289 1.00 0.00 N ATOM 1719 CA TRP A 110 12.484 -4.336 5.336 1.00 0.00 C ATOM 1720 C TRP A 110 13.556 -4.445 6.415 1.00 0.00 C ATOM 1721 O TRP A 110 13.897 -3.458 7.067 1.00 0.00 O ATOM 1722 CB TRP A 110 11.098 -4.509 5.958 1.00 0.00 C ATOM 1723 CG TRP A 110 10.803 -5.920 6.368 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.457 -6.957 5.549 1.00 0.00 C ATOM 1725 CD2 TRP A 110 10.826 -6.449 7.699 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.264 -8.098 6.290 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.485 -7.813 7.611 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.103 -5.903 8.955 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.413 -8.635 8.733 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.032 -6.720 10.067 1.00 0.00 C ATOM 1731 CH2 TRP A 110 10.690 -8.074 9.950 1.00 0.00 C ATOM 0 H TRP A 110 11.870 -5.876 4.052 1.00 0.00 H new ATOM 0 HA TRP A 110 12.550 -3.347 4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.015 -3.860 6.830 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.343 -4.181 5.243 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.351 -6.890 4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.999 -9.009 5.917 1.00 0.00 H new ATOM 0 HE3 TRP A 110 11.368 -4.861 9.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.148 -9.678 8.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 11.244 -6.308 11.043 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.644 -8.687 10.838 1.00 0.00 H new ATOM 1742 N LYS A 111 14.085 -5.650 6.599 1.00 0.00 N ATOM 1743 CA LYS A 111 15.120 -5.887 7.598 1.00 0.00 C ATOM 1744 C LYS A 111 16.359 -5.046 7.309 1.00 0.00 C ATOM 1745 O LYS A 111 16.937 -4.445 8.214 1.00 0.00 O ATOM 1746 CB LYS A 111 15.494 -7.371 7.631 1.00 0.00 C ATOM 1747 CG LYS A 111 14.299 -8.297 7.775 1.00 0.00 C ATOM 1748 CD LYS A 111 13.928 -8.507 9.233 1.00 0.00 C ATOM 1749 CE LYS A 111 14.585 -9.757 9.800 1.00 0.00 C ATOM 1750 NZ LYS A 111 16.052 -9.578 9.983 1.00 0.00 N ATOM 0 H LYS A 111 13.814 -6.478 6.069 1.00 0.00 H new ATOM 0 HA LYS A 111 14.724 -5.596 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.029 -7.622 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.180 -7.546 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.447 -7.879 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.525 -9.259 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.233 -7.638 9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.845 -8.590 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.127 -10.005 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.402 -10.598 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.426 -10.353 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.521 -9.586 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.235 -8.670 10.455 1.00 0.00 H new ATOM 1764 N SER A 112 16.760 -5.007 6.042 1.00 0.00 N ATOM 1765 CA SER A 112 17.931 -4.241 5.635 1.00 0.00 C ATOM 1766 C SER A 112 17.725 -2.752 5.898 1.00 0.00 C ATOM 1767 O SER A 112 18.683 -2.013 6.127 1.00 0.00 O ATOM 1768 CB SER A 112 18.228 -4.472 4.152 1.00 0.00 C ATOM 1769 OG SER A 112 19.498 -3.952 3.798 1.00 0.00 O ATOM 0 H SER A 112 16.291 -5.497 5.280 1.00 0.00 H new ATOM 0 HA SER A 112 18.781 -4.582 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.195 -5.539 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.456 -3.999 3.545 1.00 0.00 H new ATOM 0 HG SER A 112 19.664 -4.114 2.846 1.00 0.00 H new ATOM 1775 N ILE A 113 16.469 -2.320 5.862 1.00 0.00 N ATOM 1776 CA ILE A 113 16.137 -0.920 6.098 1.00 0.00 C ATOM 1777 C ILE A 113 15.985 -0.634 7.588 1.00 0.00 C ATOM 1778 O ILE A 113 15.429 -1.443 8.331 1.00 0.00 O ATOM 1779 CB ILE A 113 14.837 -0.521 5.375 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.983 -0.727 3.866 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.481 0.925 5.685 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.660 -0.844 3.141 1.00 0.00 C ATOM 0 H ILE A 113 15.665 -2.918 5.672 1.00 0.00 H new ATOM 0 HA ILE A 113 16.962 -0.329 5.700 1.00 0.00 H new ATOM 0 HB ILE A 113 14.029 -1.159 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.545 0.107 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.568 -1.629 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.560 1.192 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.340 1.043 6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.287 1.578 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.840 -0.988 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.104 -1.695 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.081 0.067 3.291 1.00 0.00 H new