USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 Single : A 13 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= -0.831 K(o=-0.83,f=-1.7!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -23:sc= 0.668 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0515) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=2.55e-06 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.482 F(o=-2.3!,f=0.48) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -0.016 (180deg=-0.168) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.917 USER MOD Single : A 77 TYR OH : rot -140:sc= 0.399 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 45:sc= 0.524 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 97 GLN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -10.276 30.315 2.654 1.00 0.00 N ATOM 81 CA PRO A 9 -9.112 29.567 2.169 1.00 0.00 C ATOM 82 C PRO A 9 -9.387 28.861 0.846 1.00 0.00 C ATOM 83 O PRO A 9 -10.519 28.465 0.565 1.00 0.00 O ATOM 84 CB PRO A 9 -8.859 28.544 3.279 1.00 0.00 C ATOM 85 CG PRO A 9 -10.183 28.366 3.938 1.00 0.00 C ATOM 86 CD PRO A 9 -10.871 29.700 3.852 1.00 0.00 C ATOM 0 HA PRO A 9 -8.262 30.220 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.489 27.603 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.110 28.903 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.767 27.593 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.064 28.055 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.951 29.589 3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.693 30.302 4.743 1.00 0.00 H new ATOM 94 N VAL A 10 -8.345 28.705 0.035 1.00 0.00 N ATOM 95 CA VAL A 10 -8.474 28.044 -1.258 1.00 0.00 C ATOM 96 C VAL A 10 -7.409 26.968 -1.434 1.00 0.00 C ATOM 97 O VAL A 10 -6.218 27.223 -1.252 1.00 0.00 O ATOM 98 CB VAL A 10 -8.366 29.053 -2.417 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.028 29.775 -2.373 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.559 28.351 -3.753 1.00 0.00 C ATOM 0 H VAL A 10 -7.402 29.028 0.251 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.461 27.581 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.156 29.796 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.970 30.484 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.934 30.311 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.220 29.049 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.480 29.078 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.792 27.586 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.544 27.885 -3.780 1.00 0.00 H new ATOM 110 N ILE A 11 -7.845 25.764 -1.790 1.00 0.00 N ATOM 111 CA ILE A 11 -6.928 24.649 -1.993 1.00 0.00 C ATOM 112 C ILE A 11 -6.372 24.646 -3.413 1.00 0.00 C ATOM 113 O ILE A 11 -7.104 24.418 -4.376 1.00 0.00 O ATOM 114 CB ILE A 11 -7.616 23.298 -1.719 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.154 23.256 -0.287 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.645 22.152 -1.960 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.186 22.173 -0.062 1.00 0.00 C ATOM 0 H ILE A 11 -8.827 25.536 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.109 24.780 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.456 23.188 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.322 23.103 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.595 24.223 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.145 21.204 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.306 22.174 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.788 22.256 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.523 22.202 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.036 22.337 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.744 21.199 -0.273 1.00 0.00 H new ATOM 129 N ARG A 12 -5.073 24.897 -3.534 1.00 0.00 N ATOM 130 CA ARG A 12 -4.418 24.923 -4.836 1.00 0.00 C ATOM 131 C ARG A 12 -4.181 23.507 -5.353 1.00 0.00 C ATOM 132 O ARG A 12 -4.648 23.144 -6.433 1.00 0.00 O ATOM 133 CB ARG A 12 -3.089 25.674 -4.748 1.00 0.00 C ATOM 134 CG ARG A 12 -3.241 27.142 -4.384 1.00 0.00 C ATOM 135 CD ARG A 12 -3.660 27.973 -5.586 1.00 0.00 C ATOM 136 NE ARG A 12 -2.693 27.884 -6.677 1.00 0.00 N ATOM 137 CZ ARG A 12 -1.494 28.454 -6.644 1.00 0.00 C ATOM 138 NH1 ARG A 12 -1.115 29.150 -5.582 1.00 0.00 N ATOM 139 NH2 ARG A 12 -0.670 28.327 -7.677 1.00 0.00 N ATOM 0 H ARG A 12 -4.453 25.085 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.074 25.442 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.456 25.188 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.574 25.597 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.982 27.247 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.298 27.520 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.635 27.636 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.772 29.015 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.953 27.355 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.745 29.249 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.193 29.586 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.958 27.792 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.251 28.765 -7.652 1.00 0.00 H new ATOM 153 N GLN A 13 -3.454 22.712 -4.575 1.00 0.00 N ATOM 154 CA GLN A 13 -3.154 21.337 -4.956 1.00 0.00 C ATOM 155 C GLN A 13 -3.676 20.357 -3.910 1.00 0.00 C ATOM 156 O GLN A 13 -2.928 19.894 -3.050 1.00 0.00 O ATOM 157 CB GLN A 13 -1.647 21.152 -5.137 1.00 0.00 C ATOM 158 CG GLN A 13 -1.283 20.072 -6.142 1.00 0.00 C ATOM 159 CD GLN A 13 -1.327 18.679 -5.544 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.750 18.427 -4.486 1.00 0.00 O ATOM 161 NE2 GLN A 13 -2.013 17.766 -6.220 1.00 0.00 N ATOM 0 H GLN A 13 -3.062 22.996 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.654 21.132 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.209 22.097 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.201 20.905 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.969 20.122 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.283 20.265 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.476 18.019 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.077 16.811 -5.867 1.00 0.00 H new ATOM 170 N GLY A 14 -4.966 20.045 -3.990 1.00 0.00 N ATOM 171 CA GLY A 14 -5.567 19.122 -3.045 1.00 0.00 C ATOM 172 C GLY A 14 -5.327 17.672 -3.417 1.00 0.00 C ATOM 173 O GLY A 14 -4.743 17.365 -4.457 1.00 0.00 O ATOM 0 H GLY A 14 -5.606 20.415 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.162 19.310 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.640 19.308 -2.993 1.00 0.00 H new ATOM 177 N PRO A 15 -5.783 16.752 -2.554 1.00 0.00 N ATOM 178 CA PRO A 15 -5.625 15.312 -2.776 1.00 0.00 C ATOM 179 C PRO A 15 -6.489 14.804 -3.926 1.00 0.00 C ATOM 180 O PRO A 15 -7.603 15.284 -4.137 1.00 0.00 O ATOM 181 CB PRO A 15 -6.082 14.697 -1.452 1.00 0.00 C ATOM 182 CG PRO A 15 -7.010 15.704 -0.866 1.00 0.00 C ATOM 183 CD PRO A 15 -6.488 17.047 -1.296 1.00 0.00 C ATOM 0 HA PRO A 15 -4.603 15.052 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.583 13.742 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.236 14.507 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.029 15.549 -1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.036 15.625 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.296 17.763 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.818 17.475 -0.551 1.00 0.00 H new ATOM 191 N VAL A 16 -5.968 13.831 -4.666 1.00 0.00 N ATOM 192 CA VAL A 16 -6.693 13.257 -5.794 1.00 0.00 C ATOM 193 C VAL A 16 -6.885 11.755 -5.617 1.00 0.00 C ATOM 194 O VAL A 16 -6.389 11.165 -4.658 1.00 0.00 O ATOM 195 CB VAL A 16 -5.960 13.516 -7.123 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.952 15.002 -7.448 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.542 12.968 -7.065 1.00 0.00 C ATOM 0 H VAL A 16 -5.047 13.423 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.668 13.744 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.494 12.997 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.430 15.165 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.978 15.361 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.443 15.546 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.039 13.160 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.996 13.457 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.574 11.894 -6.882 1.00 0.00 H new ATOM 207 N ASN A 17 -7.607 11.142 -6.549 1.00 0.00 N ATOM 208 CA ASN A 17 -7.865 9.708 -6.496 1.00 0.00 C ATOM 209 C ASN A 17 -6.667 8.920 -7.017 1.00 0.00 C ATOM 210 O ASN A 17 -6.196 9.152 -8.130 1.00 0.00 O ATOM 211 CB ASN A 17 -9.111 9.362 -7.313 1.00 0.00 C ATOM 212 CG ASN A 17 -9.148 10.085 -8.646 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.117 10.526 -9.154 1.00 0.00 O ATOM 214 ND2 ASN A 17 -10.339 10.210 -9.218 1.00 0.00 N ATOM 0 H ASN A 17 -8.024 11.616 -7.350 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.034 9.433 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.142 8.286 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.001 9.618 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.426 10.687 -10.115 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.167 9.829 -8.760 1.00 0.00 H new ATOM 221 N GLN A 18 -6.179 7.988 -6.204 1.00 0.00 N ATOM 222 CA GLN A 18 -5.036 7.167 -6.583 1.00 0.00 C ATOM 223 C GLN A 18 -5.283 5.700 -6.245 1.00 0.00 C ATOM 224 O GLN A 18 -5.868 5.381 -5.209 1.00 0.00 O ATOM 225 CB GLN A 18 -3.771 7.659 -5.878 1.00 0.00 C ATOM 226 CG GLN A 18 -3.396 9.090 -6.229 1.00 0.00 C ATOM 227 CD GLN A 18 -2.287 9.635 -5.351 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.154 9.811 -5.799 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.609 9.906 -4.092 1.00 0.00 N ATOM 0 H GLN A 18 -6.558 7.783 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.900 7.255 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.913 7.584 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.942 7.001 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.083 9.134 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.276 9.726 -6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.561 9.745 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.905 10.276 -3.454 1.00 0.00 H new ATOM 238 N THR A 19 -4.834 4.811 -7.125 1.00 0.00 N ATOM 239 CA THR A 19 -5.008 3.378 -6.920 1.00 0.00 C ATOM 240 C THR A 19 -3.741 2.747 -6.353 1.00 0.00 C ATOM 241 O THR A 19 -2.668 2.842 -6.948 1.00 0.00 O ATOM 242 CB THR A 19 -5.380 2.665 -8.233 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.364 3.426 -8.943 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.916 1.268 -7.957 1.00 0.00 C ATOM 0 H THR A 19 -4.347 5.058 -7.987 1.00 0.00 H new ATOM 0 HA THR A 19 -5.822 3.256 -6.206 1.00 0.00 H new ATOM 0 HB THR A 19 -4.479 2.579 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.594 2.966 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.172 0.784 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.155 0.681 -7.443 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.806 1.337 -7.331 1.00 0.00 H new ATOM 252 N VAL A 20 -3.874 2.099 -5.200 1.00 0.00 N ATOM 253 CA VAL A 20 -2.740 1.449 -4.553 1.00 0.00 C ATOM 254 C VAL A 20 -3.042 -0.015 -4.257 1.00 0.00 C ATOM 255 O VAL A 20 -4.199 -0.399 -4.087 1.00 0.00 O ATOM 256 CB VAL A 20 -2.360 2.160 -3.241 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.463 1.271 -2.393 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.683 3.491 -3.532 1.00 0.00 C ATOM 0 H VAL A 20 -4.756 2.010 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.901 1.510 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.272 2.358 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.205 1.790 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.988 0.346 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.553 1.039 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.422 3.979 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.779 3.319 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.363 4.129 -4.096 1.00 0.00 H new ATOM 268 N ALA A 21 -1.993 -0.829 -4.196 1.00 0.00 N ATOM 269 CA ALA A 21 -2.146 -2.252 -3.917 1.00 0.00 C ATOM 270 C ALA A 21 -2.172 -2.517 -2.416 1.00 0.00 C ATOM 271 O ALA A 21 -1.617 -1.750 -1.629 1.00 0.00 O ATOM 272 CB ALA A 21 -1.024 -3.042 -4.575 1.00 0.00 C ATOM 0 H ALA A 21 -1.029 -0.528 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.099 -2.579 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.150 -4.103 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.053 -2.886 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.064 -2.704 -4.185 1.00 0.00 H new ATOM 278 N VAL A 22 -2.821 -3.609 -2.024 1.00 0.00 N ATOM 279 CA VAL A 22 -2.919 -3.977 -0.616 1.00 0.00 C ATOM 280 C VAL A 22 -1.565 -3.868 0.076 1.00 0.00 C ATOM 281 O VAL A 22 -0.519 -4.007 -0.559 1.00 0.00 O ATOM 282 CB VAL A 22 -3.456 -5.410 -0.446 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.150 -5.934 0.949 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.951 -5.454 -0.724 1.00 0.00 C ATOM 0 H VAL A 22 -3.287 -4.254 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.617 -3.279 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.955 -6.055 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.537 -6.948 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.072 -5.940 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.622 -5.290 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.314 -6.474 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.470 -4.796 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.141 -5.123 -1.745 1.00 0.00 H new ATOM 294 N ASP A 23 -1.592 -3.619 1.380 1.00 0.00 N ATOM 295 CA ASP A 23 -0.366 -3.493 2.160 1.00 0.00 C ATOM 296 C ASP A 23 0.655 -2.624 1.432 1.00 0.00 C ATOM 297 O ASP A 23 1.861 -2.780 1.616 1.00 0.00 O ATOM 298 CB ASP A 23 0.229 -4.874 2.442 1.00 0.00 C ATOM 299 CG ASP A 23 1.069 -4.896 3.704 1.00 0.00 C ATOM 300 OD1 ASP A 23 0.516 -4.618 4.788 1.00 0.00 O ATOM 301 OD2 ASP A 23 2.279 -5.191 3.606 1.00 0.00 O ATOM 0 H ASP A 23 -2.449 -3.500 1.920 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.615 -3.013 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.577 -5.602 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.843 -5.182 1.595 1.00 0.00 H new ATOM 306 N GLY A 24 0.162 -1.710 0.602 1.00 0.00 N ATOM 307 CA GLY A 24 1.044 -0.831 -0.143 1.00 0.00 C ATOM 308 C GLY A 24 1.378 0.437 0.618 1.00 0.00 C ATOM 309 O GLY A 24 1.643 0.398 1.820 1.00 0.00 O ATOM 0 H GLY A 24 -0.833 -1.563 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.966 -1.362 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.574 -0.569 -1.091 1.00 0.00 H new ATOM 313 N THR A 25 1.366 1.567 -0.083 1.00 0.00 N ATOM 314 CA THR A 25 1.672 2.851 0.534 1.00 0.00 C ATOM 315 C THR A 25 1.121 4.005 -0.297 1.00 0.00 C ATOM 316 O THR A 25 1.597 4.271 -1.401 1.00 0.00 O ATOM 317 CB THR A 25 3.191 3.041 0.712 1.00 0.00 C ATOM 318 OG1 THR A 25 3.744 1.926 1.419 1.00 0.00 O ATOM 319 CG2 THR A 25 3.490 4.327 1.468 1.00 0.00 C ATOM 0 H THR A 25 1.148 1.618 -1.078 1.00 0.00 H new ATOM 0 HA THR A 25 1.196 2.852 1.514 1.00 0.00 H new ATOM 0 HB THR A 25 3.646 3.105 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.041 1.492 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.568 4.440 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.093 5.176 0.912 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.024 4.287 2.452 1.00 0.00 H new ATOM 327 N PHE A 26 0.116 4.688 0.241 1.00 0.00 N ATOM 328 CA PHE A 26 -0.500 5.813 -0.452 1.00 0.00 C ATOM 329 C PHE A 26 -0.331 7.102 0.348 1.00 0.00 C ATOM 330 O PHE A 26 -0.672 7.162 1.529 1.00 0.00 O ATOM 331 CB PHE A 26 -1.987 5.540 -0.692 1.00 0.00 C ATOM 332 CG PHE A 26 -2.786 5.421 0.574 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.841 4.221 1.265 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.483 6.510 1.073 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.577 4.110 2.429 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.220 6.404 2.238 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.266 5.203 2.917 1.00 0.00 C ATOM 0 H PHE A 26 -0.289 4.482 1.154 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.000 5.933 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.402 6.344 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.091 4.619 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.303 3.363 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.450 7.452 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.614 3.169 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.759 7.260 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.840 5.118 3.828 1.00 0.00 H new ATOM 347 N VAL A 27 0.198 8.131 -0.306 1.00 0.00 N ATOM 348 CA VAL A 27 0.413 9.420 0.342 1.00 0.00 C ATOM 349 C VAL A 27 -0.687 10.410 -0.025 1.00 0.00 C ATOM 350 O VAL A 27 -1.220 10.378 -1.135 1.00 0.00 O ATOM 351 CB VAL A 27 1.778 10.020 -0.041 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.031 11.308 0.729 1.00 0.00 C ATOM 353 CG2 VAL A 27 2.891 9.014 0.208 1.00 0.00 C ATOM 0 H VAL A 27 0.486 8.097 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 27 0.392 9.241 1.417 1.00 0.00 H new ATOM 0 HB VAL A 27 1.765 10.257 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.000 11.717 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.249 12.031 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.025 11.100 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.849 9.455 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.907 8.743 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.716 8.122 -0.393 1.00 0.00 H new ATOM 363 N LEU A 28 -1.021 11.289 0.913 1.00 0.00 N ATOM 364 CA LEU A 28 -2.058 12.290 0.688 1.00 0.00 C ATOM 365 C LEU A 28 -1.591 13.669 1.144 1.00 0.00 C ATOM 366 O LEU A 28 -1.357 13.895 2.331 1.00 0.00 O ATOM 367 CB LEU A 28 -3.339 11.902 1.429 1.00 0.00 C ATOM 368 CG LEU A 28 -4.070 10.666 0.904 1.00 0.00 C ATOM 369 CD1 LEU A 28 -4.994 10.100 1.971 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.851 11.004 -0.357 1.00 0.00 C ATOM 0 H LEU A 28 -0.589 11.329 1.836 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.263 12.331 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.092 11.735 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.026 12.748 1.394 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.329 9.907 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.506 9.221 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.409 9.820 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.730 10.853 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.365 10.113 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.583 11.780 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.165 11.362 -1.125 1.00 0.00 H new ATOM 382 N SER A 29 -1.460 14.588 0.192 1.00 0.00 N ATOM 383 CA SER A 29 -1.019 15.944 0.495 1.00 0.00 C ATOM 384 C SER A 29 -2.135 16.950 0.227 1.00 0.00 C ATOM 385 O SER A 29 -2.927 16.784 -0.701 1.00 0.00 O ATOM 386 CB SER A 29 0.215 16.300 -0.336 1.00 0.00 C ATOM 387 OG SER A 29 -0.145 16.638 -1.664 1.00 0.00 O ATOM 0 H SER A 29 -1.653 14.418 -0.795 1.00 0.00 H new ATOM 0 HA SER A 29 -0.760 15.988 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.740 17.136 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.906 15.457 -0.346 1.00 0.00 H new ATOM 0 HG SER A 29 0.661 16.863 -2.174 1.00 0.00 H new ATOM 393 N CYS A 30 -2.190 17.995 1.047 1.00 0.00 N ATOM 394 CA CYS A 30 -3.208 19.028 0.900 1.00 0.00 C ATOM 395 C CYS A 30 -2.604 20.417 1.092 1.00 0.00 C ATOM 396 O CYS A 30 -1.927 20.679 2.086 1.00 0.00 O ATOM 397 CB CYS A 30 -4.338 18.808 1.908 1.00 0.00 C ATOM 398 SG CYS A 30 -5.922 19.567 1.427 1.00 0.00 S ATOM 0 H CYS A 30 -1.542 18.148 1.819 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.613 18.963 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.487 17.737 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.033 19.211 2.874 1.00 0.00 H new ATOM 403 N VAL A 31 -2.855 21.303 0.133 1.00 0.00 N ATOM 404 CA VAL A 31 -2.338 22.665 0.197 1.00 0.00 C ATOM 405 C VAL A 31 -3.463 23.686 0.070 1.00 0.00 C ATOM 406 O VAL A 31 -4.385 23.513 -0.727 1.00 0.00 O ATOM 407 CB VAL A 31 -1.298 22.922 -0.910 1.00 0.00 C ATOM 408 CG1 VAL A 31 0.096 22.549 -0.430 1.00 0.00 C ATOM 409 CG2 VAL A 31 -1.661 22.152 -2.171 1.00 0.00 C ATOM 0 H VAL A 31 -3.413 21.102 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.858 22.777 1.169 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.301 23.986 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.817 22.737 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.353 23.149 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.118 21.492 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.916 22.345 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.687 21.085 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.641 22.474 -2.524 1.00 0.00 H new ATOM 419 N ALA A 32 -3.379 24.751 0.860 1.00 0.00 N ATOM 420 CA ALA A 32 -4.389 25.802 0.835 1.00 0.00 C ATOM 421 C ALA A 32 -3.816 27.125 1.330 1.00 0.00 C ATOM 422 O ALA A 32 -2.934 27.150 2.189 1.00 0.00 O ATOM 423 CB ALA A 32 -5.592 25.398 1.673 1.00 0.00 C ATOM 0 H ALA A 32 -2.622 24.909 1.525 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.710 25.939 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.338 26.192 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.023 24.481 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.278 25.231 2.703 1.00 0.00 H new ATOM 429 N THR A 33 -4.323 28.226 0.784 1.00 0.00 N ATOM 430 CA THR A 33 -3.860 29.554 1.169 1.00 0.00 C ATOM 431 C THR A 33 -4.687 30.111 2.321 1.00 0.00 C ATOM 432 O THR A 33 -5.807 29.665 2.567 1.00 0.00 O ATOM 433 CB THR A 33 -3.923 30.536 -0.016 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.236 31.101 -0.115 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.567 29.836 -1.319 1.00 0.00 C ATOM 0 H THR A 33 -5.055 28.224 0.073 1.00 0.00 H new ATOM 0 HA THR A 33 -2.823 29.448 1.488 1.00 0.00 H new ATOM 0 HB THR A 33 -3.198 31.331 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.267 31.725 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.618 30.550 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.557 29.433 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.271 29.023 -1.499 1.00 0.00 H new ATOM 443 N GLY A 34 -4.129 31.091 3.025 1.00 0.00 N ATOM 444 CA GLY A 34 -4.830 31.694 4.144 1.00 0.00 C ATOM 445 C GLY A 34 -3.911 31.992 5.312 1.00 0.00 C ATOM 446 O GLY A 34 -2.908 31.307 5.511 1.00 0.00 O ATOM 0 H GLY A 34 -3.204 31.478 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.306 32.618 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.626 31.025 4.473 1.00 0.00 H new ATOM 450 N SER A 35 -4.252 33.018 6.085 1.00 0.00 N ATOM 451 CA SER A 35 -3.447 33.409 7.236 1.00 0.00 C ATOM 452 C SER A 35 -4.329 33.661 8.455 1.00 0.00 C ATOM 453 O SER A 35 -5.313 34.398 8.399 1.00 0.00 O ATOM 454 CB SER A 35 -2.632 34.663 6.913 1.00 0.00 C ATOM 455 OG SER A 35 -1.708 34.951 7.948 1.00 0.00 O ATOM 0 H SER A 35 -5.081 33.594 5.935 1.00 0.00 H new ATOM 0 HA SER A 35 -2.765 32.591 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.098 34.521 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.303 35.511 6.774 1.00 0.00 H new ATOM 0 HG SER A 35 -1.198 35.756 7.717 1.00 0.00 H new ATOM 461 N PRO A 36 -3.968 33.034 9.585 1.00 0.00 N ATOM 462 CA PRO A 36 -2.799 32.153 9.663 1.00 0.00 C ATOM 463 C PRO A 36 -2.999 30.854 8.890 1.00 0.00 C ATOM 464 O PRO A 36 -4.130 30.436 8.641 1.00 0.00 O ATOM 465 CB PRO A 36 -2.669 31.869 11.161 1.00 0.00 C ATOM 466 CG PRO A 36 -4.044 32.052 11.703 1.00 0.00 C ATOM 467 CD PRO A 36 -4.675 33.136 10.873 1.00 0.00 C ATOM 0 HA PRO A 36 -1.913 32.611 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.304 30.858 11.342 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.963 32.552 11.633 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.616 31.127 11.637 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.014 32.334 12.756 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.747 32.980 10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.543 34.118 11.327 1.00 0.00 H new ATOM 475 N VAL A 37 -1.894 30.219 8.512 1.00 0.00 N ATOM 476 CA VAL A 37 -1.948 28.966 7.768 1.00 0.00 C ATOM 477 C VAL A 37 -3.108 28.097 8.240 1.00 0.00 C ATOM 478 O VAL A 37 -3.298 27.866 9.434 1.00 0.00 O ATOM 479 CB VAL A 37 -0.636 28.173 7.909 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.761 26.811 7.243 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.527 28.958 7.321 1.00 0.00 C ATOM 0 H VAL A 37 -0.950 30.552 8.709 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.096 29.226 6.720 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.439 28.016 8.970 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.176 26.265 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.567 26.248 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.982 26.943 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.446 28.382 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.340 29.148 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.629 29.907 7.848 1.00 0.00 H new ATOM 491 N PRO A 38 -3.904 27.601 7.281 1.00 0.00 N ATOM 492 CA PRO A 38 -5.060 26.748 7.574 1.00 0.00 C ATOM 493 C PRO A 38 -4.648 25.370 8.081 1.00 0.00 C ATOM 494 O PRO A 38 -3.572 24.871 7.753 1.00 0.00 O ATOM 495 CB PRO A 38 -5.766 26.631 6.221 1.00 0.00 C ATOM 496 CG PRO A 38 -4.693 26.857 5.213 1.00 0.00 C ATOM 497 CD PRO A 38 -3.738 27.836 5.837 1.00 0.00 C ATOM 0 HA PRO A 38 -5.687 27.166 8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.225 25.650 6.097 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.562 27.370 6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.188 25.923 4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.106 27.252 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.712 27.657 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.982 28.863 5.566 1.00 0.00 H new ATOM 505 N THR A 39 -5.513 24.758 8.884 1.00 0.00 N ATOM 506 CA THR A 39 -5.240 23.437 9.438 1.00 0.00 C ATOM 507 C THR A 39 -5.758 22.338 8.518 1.00 0.00 C ATOM 508 O THR A 39 -6.943 22.300 8.187 1.00 0.00 O ATOM 509 CB THR A 39 -5.877 23.269 10.830 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.365 24.262 11.726 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.596 21.882 11.389 1.00 0.00 C ATOM 0 H THR A 39 -6.409 25.156 9.165 1.00 0.00 H new ATOM 0 HA THR A 39 -4.157 23.350 9.530 1.00 0.00 H new ATOM 0 HB THR A 39 -6.955 23.392 10.729 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.776 24.150 12.608 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.055 21.786 12.373 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.012 21.129 10.720 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.519 21.736 11.476 1.00 0.00 H new ATOM 519 N ILE A 40 -4.863 21.444 8.109 1.00 0.00 N ATOM 520 CA ILE A 40 -5.232 20.343 7.229 1.00 0.00 C ATOM 521 C ILE A 40 -5.712 19.137 8.029 1.00 0.00 C ATOM 522 O ILE A 40 -5.062 18.715 8.987 1.00 0.00 O ATOM 523 CB ILE A 40 -4.051 19.916 6.337 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.830 20.939 5.221 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.301 18.533 5.753 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.145 22.360 5.634 1.00 0.00 C ATOM 0 H ILE A 40 -3.878 21.461 8.373 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.044 20.703 6.596 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.150 19.873 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.792 20.886 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.450 20.672 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.458 18.245 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.414 17.811 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.211 18.550 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.966 23.031 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.190 22.428 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.506 22.646 6.470 1.00 0.00 H new ATOM 538 N LEU A 41 -6.852 18.584 7.629 1.00 0.00 N ATOM 539 CA LEU A 41 -7.419 17.424 8.307 1.00 0.00 C ATOM 540 C LEU A 41 -7.726 16.308 7.314 1.00 0.00 C ATOM 541 O LEU A 41 -7.560 16.477 6.105 1.00 0.00 O ATOM 542 CB LEU A 41 -8.692 17.819 9.057 1.00 0.00 C ATOM 543 CG LEU A 41 -8.497 18.687 10.301 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.372 18.137 11.164 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.212 20.129 9.905 1.00 0.00 C ATOM 0 H LEU A 41 -7.402 18.921 6.838 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.683 17.056 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.346 18.351 8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.213 16.908 9.352 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.418 18.666 10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.248 18.767 12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.616 17.122 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.445 18.127 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.076 20.733 10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.306 20.168 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.050 20.520 9.328 1.00 0.00 H new ATOM 557 N TRP A 42 -8.176 15.170 7.830 1.00 0.00 N ATOM 558 CA TRP A 42 -8.509 14.027 6.987 1.00 0.00 C ATOM 559 C TRP A 42 -9.731 13.292 7.526 1.00 0.00 C ATOM 560 O TRP A 42 -9.837 13.041 8.726 1.00 0.00 O ATOM 561 CB TRP A 42 -7.319 13.070 6.899 1.00 0.00 C ATOM 562 CG TRP A 42 -6.131 13.661 6.202 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.963 14.072 6.778 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.997 13.908 4.798 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.111 14.560 5.817 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.721 14.470 4.594 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.829 13.708 3.693 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.262 14.833 3.331 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.372 14.070 2.440 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.097 14.627 2.267 1.00 0.00 C ATOM 0 H TRP A 42 -8.319 15.014 8.828 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.743 14.397 5.989 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.028 12.770 7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.627 12.166 6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.742 14.021 7.834 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.176 14.930 5.987 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.812 13.278 3.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.280 15.263 3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.008 13.921 1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.768 14.899 1.275 1.00 0.00 H new ATOM 581 N ARG A 43 -10.651 12.948 6.630 1.00 0.00 N ATOM 582 CA ARG A 43 -11.866 12.241 7.017 1.00 0.00 C ATOM 583 C ARG A 43 -12.077 11.005 6.147 1.00 0.00 C ATOM 584 O ARG A 43 -11.993 11.075 4.920 1.00 0.00 O ATOM 585 CB ARG A 43 -13.078 13.168 6.906 1.00 0.00 C ATOM 586 CG ARG A 43 -13.235 14.108 8.090 1.00 0.00 C ATOM 587 CD ARG A 43 -14.672 14.584 8.236 1.00 0.00 C ATOM 588 NE ARG A 43 -14.801 15.635 9.242 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.933 16.288 9.482 1.00 0.00 C ATOM 590 NH1 ARG A 43 -17.028 15.998 8.793 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.971 17.231 10.414 1.00 0.00 N ATOM 0 H ARG A 43 -10.578 13.147 5.632 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.755 11.921 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.992 13.758 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.980 12.563 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.924 13.600 9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.577 14.968 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.030 14.955 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.307 13.741 8.509 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.977 15.881 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.003 15.272 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.896 16.501 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.131 17.455 10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.840 17.732 10.598 1.00 0.00 H new ATOM 605 N LYS A 44 -12.350 9.875 6.789 1.00 0.00 N ATOM 606 CA LYS A 44 -12.573 8.623 6.076 1.00 0.00 C ATOM 607 C LYS A 44 -13.994 8.116 6.298 1.00 0.00 C ATOM 608 O LYS A 44 -14.325 7.621 7.376 1.00 0.00 O ATOM 609 CB LYS A 44 -11.566 7.566 6.532 1.00 0.00 C ATOM 610 CG LYS A 44 -11.574 6.309 5.678 1.00 0.00 C ATOM 611 CD LYS A 44 -10.823 5.172 6.351 1.00 0.00 C ATOM 612 CE LYS A 44 -11.190 3.827 5.745 1.00 0.00 C ATOM 613 NZ LYS A 44 -12.537 3.368 6.184 1.00 0.00 N ATOM 0 H LYS A 44 -12.422 9.800 7.804 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.435 8.811 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.566 7.999 6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.780 7.294 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.603 6.004 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.121 6.523 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.750 5.335 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.049 5.166 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.168 3.901 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.444 3.085 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.674 2.375 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.612 3.450 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.268 3.957 5.736 1.00 0.00 H new ATOM 627 N ASP A 45 -14.830 8.242 5.273 1.00 0.00 N ATOM 628 CA ASP A 45 -16.215 7.794 5.356 1.00 0.00 C ATOM 629 C ASP A 45 -16.897 8.363 6.596 1.00 0.00 C ATOM 630 O ASP A 45 -17.572 7.643 7.331 1.00 0.00 O ATOM 631 CB ASP A 45 -16.279 6.266 5.379 1.00 0.00 C ATOM 632 CG ASP A 45 -17.563 5.731 4.776 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.557 6.486 4.732 1.00 0.00 O ATOM 634 OD2 ASP A 45 -17.574 4.558 4.348 1.00 0.00 O ATOM 0 H ASP A 45 -14.572 8.651 4.375 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.742 8.158 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.428 5.861 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.191 5.917 6.408 1.00 0.00 H new ATOM 639 N GLY A 46 -16.714 9.660 6.824 1.00 0.00 N ATOM 640 CA GLY A 46 -17.316 10.303 7.977 1.00 0.00 C ATOM 641 C GLY A 46 -16.657 9.893 9.280 1.00 0.00 C ATOM 642 O GLY A 46 -17.301 9.868 10.329 1.00 0.00 O ATOM 0 H GLY A 46 -16.159 10.277 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.247 11.385 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.376 10.054 8.016 1.00 0.00 H new ATOM 646 N VAL A 47 -15.369 9.570 9.213 1.00 0.00 N ATOM 647 CA VAL A 47 -14.622 9.159 10.396 1.00 0.00 C ATOM 648 C VAL A 47 -13.249 9.819 10.436 1.00 0.00 C ATOM 649 O VAL A 47 -12.384 9.529 9.608 1.00 0.00 O ATOM 650 CB VAL A 47 -14.447 7.630 10.445 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.787 7.209 11.750 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.787 6.933 10.268 1.00 0.00 C ATOM 0 H VAL A 47 -14.822 9.585 8.352 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.200 9.479 11.263 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.797 7.331 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.672 6.125 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.807 7.679 11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.409 7.520 12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.643 5.853 10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.464 7.237 11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.216 7.209 9.305 1.00 0.00 H new ATOM 662 N LEU A 48 -13.054 10.708 11.404 1.00 0.00 N ATOM 663 CA LEU A 48 -11.784 11.410 11.553 1.00 0.00 C ATOM 664 C LEU A 48 -10.618 10.427 11.585 1.00 0.00 C ATOM 665 O LEU A 48 -10.596 9.501 12.396 1.00 0.00 O ATOM 666 CB LEU A 48 -11.791 12.252 12.830 1.00 0.00 C ATOM 667 CG LEU A 48 -12.379 13.658 12.703 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.534 14.508 11.768 1.00 0.00 C ATOM 669 CD2 LEU A 48 -13.819 13.591 12.213 1.00 0.00 C ATOM 0 H LEU A 48 -13.759 10.960 12.097 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.657 12.067 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.351 11.713 13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.766 12.340 13.189 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.373 14.124 13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.968 15.505 11.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.520 14.583 12.161 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.507 14.046 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.222 14.600 12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.849 13.105 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.418 13.019 12.922 1.00 0.00 H new ATOM 681 N VAL A 49 -9.650 10.636 10.699 1.00 0.00 N ATOM 682 CA VAL A 49 -8.479 9.770 10.628 1.00 0.00 C ATOM 683 C VAL A 49 -7.947 9.449 12.021 1.00 0.00 C ATOM 684 O VAL A 49 -7.932 10.306 12.903 1.00 0.00 O ATOM 685 CB VAL A 49 -7.353 10.414 9.797 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.047 9.659 9.990 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.739 10.464 8.327 1.00 0.00 C ATOM 0 H VAL A 49 -9.653 11.397 10.020 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.797 8.848 10.142 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.207 11.436 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.264 10.129 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.766 9.682 11.043 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.174 8.625 9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.932 10.922 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.914 9.452 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.648 11.054 8.209 1.00 0.00 H new ATOM 697 N SER A 50 -7.512 8.207 12.210 1.00 0.00 N ATOM 698 CA SER A 50 -6.982 7.771 13.497 1.00 0.00 C ATOM 699 C SER A 50 -5.457 7.790 13.491 1.00 0.00 C ATOM 700 O SER A 50 -4.811 6.764 13.274 1.00 0.00 O ATOM 701 CB SER A 50 -7.485 6.365 13.829 1.00 0.00 C ATOM 702 OG SER A 50 -8.700 6.416 14.556 1.00 0.00 O ATOM 0 H SER A 50 -7.516 7.486 11.489 1.00 0.00 H new ATOM 0 HA SER A 50 -7.333 8.465 14.261 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.632 5.801 12.908 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.732 5.834 14.411 1.00 0.00 H new ATOM 0 HG SER A 50 -9.001 5.505 14.754 1.00 0.00 H new ATOM 708 N THR A 51 -4.884 8.966 13.731 1.00 0.00 N ATOM 709 CA THR A 51 -3.435 9.121 13.753 1.00 0.00 C ATOM 710 C THR A 51 -2.843 8.573 15.046 1.00 0.00 C ATOM 711 O THR A 51 -2.024 9.229 15.690 1.00 0.00 O ATOM 712 CB THR A 51 -3.026 10.597 13.598 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.978 11.287 12.780 1.00 0.00 O ATOM 714 CG2 THR A 51 -1.641 10.713 12.980 1.00 0.00 C ATOM 0 H THR A 51 -5.402 9.825 13.913 1.00 0.00 H new ATOM 0 HA THR A 51 -3.043 8.553 12.909 1.00 0.00 H new ATOM 0 HB THR A 51 -3.004 11.050 14.589 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.711 12.225 12.688 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.374 11.765 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.914 10.213 13.620 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.641 10.244 11.996 1.00 0.00 H new ATOM 722 N GLN A 52 -3.263 7.369 15.421 1.00 0.00 N ATOM 723 CA GLN A 52 -2.772 6.735 16.639 1.00 0.00 C ATOM 724 C GLN A 52 -2.060 5.424 16.321 1.00 0.00 C ATOM 725 O GLN A 52 -1.260 4.932 17.117 1.00 0.00 O ATOM 726 CB GLN A 52 -3.929 6.479 17.607 1.00 0.00 C ATOM 727 CG GLN A 52 -4.993 5.547 17.050 1.00 0.00 C ATOM 728 CD GLN A 52 -6.002 5.121 18.099 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.728 5.948 18.650 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.052 3.824 18.379 1.00 0.00 N ATOM 0 H GLN A 52 -3.941 6.814 14.900 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.057 7.411 17.108 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.533 6.055 18.530 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.392 7.431 17.867 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.513 6.044 16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.513 4.662 16.632 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.431 3.174 17.897 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.712 3.478 19.076 1.00 0.00 H new ATOM 739 N ASP A 53 -2.357 4.863 15.154 1.00 0.00 N ATOM 740 CA ASP A 53 -1.744 3.610 14.731 1.00 0.00 C ATOM 741 C ASP A 53 -0.456 3.869 13.955 1.00 0.00 C ATOM 742 O ASP A 53 -0.442 4.641 12.996 1.00 0.00 O ATOM 743 CB ASP A 53 -2.720 2.806 13.869 1.00 0.00 C ATOM 744 CG ASP A 53 -2.315 1.351 13.740 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.247 1.082 13.150 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.065 0.481 14.230 1.00 0.00 O ATOM 0 H ASP A 53 -3.018 5.256 14.484 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.499 3.034 15.624 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.718 2.865 14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.777 3.253 12.877 1.00 0.00 H new ATOM 751 N SER A 54 0.624 3.219 14.378 1.00 0.00 N ATOM 752 CA SER A 54 1.918 3.383 13.726 1.00 0.00 C ATOM 753 C SER A 54 1.750 3.540 12.217 1.00 0.00 C ATOM 754 O SER A 54 2.519 4.248 11.567 1.00 0.00 O ATOM 755 CB SER A 54 2.820 2.185 14.028 1.00 0.00 C ATOM 756 OG SER A 54 2.282 0.992 13.486 1.00 0.00 O ATOM 0 H SER A 54 0.628 2.575 15.169 1.00 0.00 H new ATOM 0 HA SER A 54 2.383 4.287 14.118 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.813 2.360 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.938 2.077 15.106 1.00 0.00 H new ATOM 0 HG SER A 54 2.878 0.242 13.691 1.00 0.00 H new ATOM 762 N ARG A 55 0.740 2.874 11.668 1.00 0.00 N ATOM 763 CA ARG A 55 0.471 2.938 10.237 1.00 0.00 C ATOM 764 C ARG A 55 0.344 4.385 9.771 1.00 0.00 C ATOM 765 O ARG A 55 1.092 4.837 8.903 1.00 0.00 O ATOM 766 CB ARG A 55 -0.808 2.169 9.901 1.00 0.00 C ATOM 767 CG ARG A 55 -0.630 0.659 9.907 1.00 0.00 C ATOM 768 CD ARG A 55 -1.690 -0.030 9.062 1.00 0.00 C ATOM 769 NE ARG A 55 -2.979 -0.093 9.746 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.142 -0.206 9.113 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.177 -0.267 7.789 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.273 -0.257 9.805 1.00 0.00 N ATOM 0 H ARG A 55 0.094 2.284 12.193 1.00 0.00 H new ATOM 0 HA ARG A 55 1.311 2.479 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.583 2.438 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.162 2.481 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.360 0.407 9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.682 0.289 10.931 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.806 0.504 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.359 -1.040 8.818 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.987 -0.048 10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.310 -0.227 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.071 -0.354 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.250 -0.209 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.165 -0.344 9.318 1.00 0.00 H new ATOM 786 N ILE A 56 -0.607 5.107 10.354 1.00 0.00 N ATOM 787 CA ILE A 56 -0.832 6.503 9.999 1.00 0.00 C ATOM 788 C ILE A 56 0.040 7.431 10.839 1.00 0.00 C ATOM 789 O ILE A 56 0.044 7.354 12.067 1.00 0.00 O ATOM 790 CB ILE A 56 -2.309 6.900 10.182 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.207 6.027 9.304 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.506 8.372 9.853 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.526 4.681 9.916 1.00 0.00 C ATOM 0 H ILE A 56 -1.234 4.748 11.074 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.564 6.608 8.948 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.587 6.740 11.224 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.139 6.559 9.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.721 5.873 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.555 8.638 9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.890 8.979 10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.214 8.556 8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.166 4.116 9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.601 4.130 10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.041 4.826 10.866 1.00 0.00 H new ATOM 805 N LYS A 57 0.777 8.309 10.167 1.00 0.00 N ATOM 806 CA LYS A 57 1.652 9.255 10.850 1.00 0.00 C ATOM 807 C LYS A 57 1.749 10.564 10.073 1.00 0.00 C ATOM 808 O LYS A 57 1.780 10.564 8.842 1.00 0.00 O ATOM 809 CB LYS A 57 3.047 8.652 11.031 1.00 0.00 C ATOM 810 CG LYS A 57 4.015 9.568 11.759 1.00 0.00 C ATOM 811 CD LYS A 57 5.323 8.861 12.073 1.00 0.00 C ATOM 812 CE LYS A 57 6.199 8.734 10.836 1.00 0.00 C ATOM 813 NZ LYS A 57 7.320 7.777 11.046 1.00 0.00 N ATOM 0 H LYS A 57 0.786 8.385 9.150 1.00 0.00 H new ATOM 0 HA LYS A 57 1.224 9.465 11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.960 7.716 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.458 8.407 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.214 10.448 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.559 9.919 12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.860 9.412 12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.114 7.870 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.592 8.403 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.601 9.713 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.893 7.719 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.914 8.106 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.936 6.837 11.271 1.00 0.00 H new ATOM 827 N GLN A 58 1.799 11.676 10.799 1.00 0.00 N ATOM 828 CA GLN A 58 1.894 12.991 10.176 1.00 0.00 C ATOM 829 C GLN A 58 3.351 13.400 9.989 1.00 0.00 C ATOM 830 O GLN A 58 4.092 13.561 10.960 1.00 0.00 O ATOM 831 CB GLN A 58 1.164 14.034 11.024 1.00 0.00 C ATOM 832 CG GLN A 58 -0.314 14.161 10.693 1.00 0.00 C ATOM 833 CD GLN A 58 -0.924 15.443 11.224 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.057 15.625 12.435 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.297 16.341 10.320 1.00 0.00 N ATOM 0 H GLN A 58 1.775 11.693 11.819 1.00 0.00 H new ATOM 0 HA GLN A 58 1.422 12.936 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.271 13.773 12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.643 15.003 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.445 14.122 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.850 13.308 11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.168 16.149 9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.712 17.223 10.619 1.00 0.00 H new ATOM 844 N LEU A 59 3.757 13.568 8.735 1.00 0.00 N ATOM 845 CA LEU A 59 5.126 13.958 8.419 1.00 0.00 C ATOM 846 C LEU A 59 5.293 15.472 8.503 1.00 0.00 C ATOM 847 O LEU A 59 6.005 15.980 9.369 1.00 0.00 O ATOM 848 CB LEU A 59 5.508 13.468 7.022 1.00 0.00 C ATOM 849 CG LEU A 59 5.268 11.984 6.742 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.911 11.127 7.822 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.778 11.694 6.645 1.00 0.00 C ATOM 0 H LEU A 59 3.157 13.440 7.920 1.00 0.00 H new ATOM 0 HA LEU A 59 5.788 13.496 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.949 14.050 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.565 13.681 6.860 1.00 0.00 H new ATOM 0 HG LEU A 59 5.729 11.735 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.730 10.074 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.985 11.314 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.480 11.378 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.626 10.633 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.294 11.959 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.345 12.281 5.835 1.00 0.00 H new ATOM 863 N GLU A 60 4.632 16.187 7.598 1.00 0.00 N ATOM 864 CA GLU A 60 4.707 17.643 7.571 1.00 0.00 C ATOM 865 C GLU A 60 3.314 18.257 7.458 1.00 0.00 C ATOM 866 O GLU A 60 2.310 17.547 7.440 1.00 0.00 O ATOM 867 CB GLU A 60 5.579 18.109 6.404 1.00 0.00 C ATOM 868 CG GLU A 60 4.897 17.995 5.051 1.00 0.00 C ATOM 869 CD GLU A 60 5.537 18.879 3.998 1.00 0.00 C ATOM 870 OE1 GLU A 60 6.673 18.573 3.579 1.00 0.00 O ATOM 871 OE2 GLU A 60 4.903 19.876 3.594 1.00 0.00 O ATOM 0 H GLU A 60 4.039 15.782 6.874 1.00 0.00 H new ATOM 0 HA GLU A 60 5.157 17.976 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.868 19.147 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.497 17.521 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.930 16.958 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.846 18.263 5.155 1.00 0.00 H new ATOM 878 N ASN A 61 3.264 19.583 7.382 1.00 0.00 N ATOM 879 CA ASN A 61 1.996 20.294 7.271 1.00 0.00 C ATOM 880 C ASN A 61 1.184 19.778 6.087 1.00 0.00 C ATOM 881 O ASN A 61 1.705 19.623 4.983 1.00 0.00 O ATOM 882 CB ASN A 61 2.241 21.797 7.119 1.00 0.00 C ATOM 883 CG ASN A 61 3.513 22.248 7.812 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.654 21.976 7.189 1.00 0.00 O flip ATOM 885 ND2 ASN A 61 3.469 22.834 8.893 1.00 0.00 N flip ATOM 0 H ASN A 61 4.086 20.186 7.395 1.00 0.00 H new ATOM 0 HA ASN A 61 1.428 20.116 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.299 22.048 6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.393 22.344 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.569 23.022 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.332 23.132 9.347 1.00 0.00 H new ATOM 892 N GLY A 62 -0.097 19.513 6.325 1.00 0.00 N ATOM 893 CA GLY A 62 -0.961 19.017 5.270 1.00 0.00 C ATOM 894 C GLY A 62 -0.352 17.847 4.523 1.00 0.00 C ATOM 895 O GLY A 62 -0.549 17.700 3.317 1.00 0.00 O ATOM 0 H GLY A 62 -0.552 19.633 7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.915 18.713 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.170 19.823 4.567 1.00 0.00 H new ATOM 899 N VAL A 63 0.393 17.012 5.242 1.00 0.00 N ATOM 900 CA VAL A 63 1.034 15.849 4.640 1.00 0.00 C ATOM 901 C VAL A 63 0.837 14.607 5.501 1.00 0.00 C ATOM 902 O VAL A 63 1.466 14.458 6.549 1.00 0.00 O ATOM 903 CB VAL A 63 2.542 16.084 4.434 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.253 14.769 4.149 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.777 17.081 3.310 1.00 0.00 C ATOM 0 H VAL A 63 0.567 17.120 6.241 1.00 0.00 H new ATOM 0 HA VAL A 63 0.562 15.693 3.670 1.00 0.00 H new ATOM 0 HB VAL A 63 2.956 16.502 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.318 14.954 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.113 14.090 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.839 14.320 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.848 17.235 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.350 16.694 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.302 18.030 3.560 1.00 0.00 H new ATOM 915 N LEU A 64 -0.040 13.716 5.052 1.00 0.00 N ATOM 916 CA LEU A 64 -0.321 12.484 5.781 1.00 0.00 C ATOM 917 C LEU A 64 -0.073 11.262 4.902 1.00 0.00 C ATOM 918 O LEU A 64 -0.513 11.213 3.754 1.00 0.00 O ATOM 919 CB LEU A 64 -1.767 12.481 6.281 1.00 0.00 C ATOM 920 CG LEU A 64 -2.153 11.331 7.211 1.00 0.00 C ATOM 921 CD1 LEU A 64 -1.900 11.710 8.662 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.611 10.946 7.005 1.00 0.00 C ATOM 0 H LEU A 64 -0.569 13.824 4.186 1.00 0.00 H new ATOM 0 HA LEU A 64 0.353 12.437 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.952 13.421 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.430 12.460 5.416 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.532 10.469 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.181 10.879 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.843 11.936 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.495 12.587 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.869 10.126 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.248 11.804 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.762 10.632 5.972 1.00 0.00 H new ATOM 934 N GLN A 65 0.633 10.278 5.450 1.00 0.00 N ATOM 935 CA GLN A 65 0.937 9.056 4.715 1.00 0.00 C ATOM 936 C GLN A 65 0.503 7.825 5.503 1.00 0.00 C ATOM 937 O GLN A 65 0.685 7.758 6.719 1.00 0.00 O ATOM 938 CB GLN A 65 2.434 8.979 4.410 1.00 0.00 C ATOM 939 CG GLN A 65 2.847 7.695 3.709 1.00 0.00 C ATOM 940 CD GLN A 65 4.352 7.544 3.606 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.965 7.971 2.627 1.00 0.00 O ATOM 942 NE2 GLN A 65 4.957 6.934 4.619 1.00 0.00 N ATOM 0 H GLN A 65 1.005 10.303 6.399 1.00 0.00 H new ATOM 0 HA GLN A 65 0.383 9.078 3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.714 9.829 3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.991 9.070 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.436 6.842 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.415 7.676 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.410 6.596 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.969 6.804 4.605 1.00 0.00 H new ATOM 951 N ILE A 66 -0.072 6.853 4.803 1.00 0.00 N ATOM 952 CA ILE A 66 -0.531 5.624 5.437 1.00 0.00 C ATOM 953 C ILE A 66 0.104 4.399 4.787 1.00 0.00 C ATOM 954 O ILE A 66 -0.080 4.151 3.595 1.00 0.00 O ATOM 955 CB ILE A 66 -2.064 5.492 5.366 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.732 6.720 5.987 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.520 4.222 6.069 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.905 7.869 5.019 1.00 0.00 C ATOM 0 H ILE A 66 -0.231 6.893 3.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.227 5.676 6.482 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.361 5.430 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.709 6.434 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.137 7.057 6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.606 4.143 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.067 3.356 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.215 4.256 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.385 8.705 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.929 8.182 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.526 7.549 4.182 1.00 0.00 H new ATOM 970 N ARG A 67 0.849 3.635 5.579 1.00 0.00 N ATOM 971 CA ARG A 67 1.511 2.435 5.081 1.00 0.00 C ATOM 972 C ARG A 67 0.694 1.189 5.408 1.00 0.00 C ATOM 973 O ARG A 67 -0.169 1.212 6.285 1.00 0.00 O ATOM 974 CB ARG A 67 2.912 2.313 5.683 1.00 0.00 C ATOM 975 CG ARG A 67 3.911 3.303 5.107 1.00 0.00 C ATOM 976 CD ARG A 67 5.049 3.575 6.078 1.00 0.00 C ATOM 977 NE ARG A 67 6.235 4.092 5.401 1.00 0.00 N ATOM 978 CZ ARG A 67 7.403 4.280 6.005 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.541 3.994 7.293 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.436 4.755 5.322 1.00 0.00 N ATOM 0 H ARG A 67 1.009 3.826 6.568 1.00 0.00 H new ATOM 0 HA ARG A 67 1.595 2.519 3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.849 2.459 6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.281 1.301 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.314 2.913 4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.403 4.238 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.720 4.292 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.304 2.655 6.604 1.00 0.00 H new ATOM 0 HE ARG A 67 6.163 4.321 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.749 3.629 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.439 4.139 7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.334 4.976 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.332 4.899 5.787 1.00 0.00 H new ATOM 994 N TYR A 68 0.972 0.102 4.696 1.00 0.00 N ATOM 995 CA TYR A 68 0.262 -1.153 4.908 1.00 0.00 C ATOM 996 C TYR A 68 -1.240 -0.968 4.716 1.00 0.00 C ATOM 997 O TYR A 68 -2.038 -1.345 5.574 1.00 0.00 O ATOM 998 CB TYR A 68 0.545 -1.693 6.311 1.00 0.00 C ATOM 999 CG TYR A 68 2.009 -1.662 6.687 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.600 -0.498 7.163 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.802 -2.797 6.566 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.937 -0.465 7.508 1.00 0.00 C ATOM 1003 CE2 TYR A 68 4.140 -2.773 6.910 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.703 -1.605 7.380 1.00 0.00 C ATOM 1005 OH TYR A 68 6.035 -1.577 7.722 1.00 0.00 O ATOM 0 H TYR A 68 1.684 0.065 3.967 1.00 0.00 H new ATOM 0 HA TYR A 68 0.619 -1.872 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.021 -1.109 7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.183 -2.719 6.376 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.003 0.397 7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.365 -3.713 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.380 0.448 7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.742 -3.664 6.811 1.00 0.00 H new ATOM 0 HH TYR A 68 6.429 -2.462 7.574 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.618 -0.386 3.582 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.023 -0.152 3.275 1.00 0.00 C ATOM 1017 C ALA A 69 -3.758 -1.467 3.033 1.00 0.00 C ATOM 1018 O ALA A 69 -3.585 -2.105 1.994 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.154 0.759 2.063 1.00 0.00 C ATOM 0 H ALA A 69 -0.970 -0.068 2.861 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.481 0.337 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.209 0.925 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.672 1.714 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.675 0.291 1.203 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.578 -1.867 3.998 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.340 -3.105 3.891 1.00 0.00 C ATOM 1027 C LYS A 70 -6.573 -2.911 3.014 1.00 0.00 C ATOM 1028 O LYS A 70 -6.963 -1.782 2.715 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.761 -3.591 5.280 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.621 -3.630 6.282 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.129 -3.849 7.697 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.982 -4.010 8.683 1.00 0.00 C ATOM 1033 NZ LYS A 70 -3.226 -5.272 8.452 1.00 0.00 N ATOM 0 H LYS A 70 -4.732 -1.351 4.864 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.701 -3.857 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.547 -2.939 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.190 -4.589 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.928 -4.428 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.063 -2.695 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.751 -3.005 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.761 -4.737 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.305 -3.160 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.374 -4.002 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.615 -5.466 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.894 -6.059 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.640 -5.174 7.599 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.183 -4.018 2.605 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.373 -3.970 1.763 1.00 0.00 C ATOM 1049 C LEU A 71 -9.476 -3.152 2.426 1.00 0.00 C ATOM 1050 O LEU A 71 -10.151 -2.357 1.773 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.875 -5.386 1.474 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.068 -6.189 0.453 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.471 -7.655 0.487 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.255 -5.615 -0.945 1.00 0.00 C ATOM 0 H LEU A 71 -6.873 -4.960 2.843 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.104 -3.488 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.893 -5.942 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.905 -5.320 1.123 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.013 -6.118 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.886 -8.210 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.285 -8.060 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.531 -7.747 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.674 -6.199 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.310 -5.656 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.916 -4.579 -0.961 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.653 -3.353 3.728 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.675 -2.625 4.459 1.00 0.00 C ATOM 1068 C GLY A 72 -10.448 -1.126 4.434 1.00 0.00 C ATOM 1069 O GLY A 72 -11.396 -0.347 4.538 1.00 0.00 O ATOM 0 H GLY A 72 -9.108 -4.007 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.652 -2.849 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.693 -2.970 5.493 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.190 -0.722 4.298 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.842 0.694 4.262 1.00 0.00 C ATOM 1075 C ASP A 73 -9.611 1.414 3.158 1.00 0.00 C ATOM 1076 O ASP A 73 -9.971 2.583 3.298 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.337 0.865 4.047 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.833 2.209 4.534 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.334 2.691 5.572 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.937 2.781 3.877 1.00 0.00 O ATOM 0 H ASP A 73 -8.394 -1.354 4.211 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.117 1.136 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.805 0.070 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.110 0.757 2.986 1.00 0.00 H new ATOM 1085 N THR A 74 -9.860 0.708 2.059 1.00 0.00 N ATOM 1086 CA THR A 74 -10.583 1.280 0.931 1.00 0.00 C ATOM 1087 C THR A 74 -11.702 2.201 1.405 1.00 0.00 C ATOM 1088 O THR A 74 -12.770 1.741 1.807 1.00 0.00 O ATOM 1089 CB THR A 74 -11.184 0.181 0.034 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.147 -0.680 -0.447 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.931 0.792 -1.143 1.00 0.00 C ATOM 0 H THR A 74 -9.571 -0.261 1.927 1.00 0.00 H new ATOM 0 HA THR A 74 -9.861 1.857 0.353 1.00 0.00 H new ATOM 0 HB THR A 74 -11.889 -0.399 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.973 -1.383 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.347 -0.003 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.739 1.424 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.243 1.393 -1.738 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.449 3.506 1.355 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.445 4.471 1.782 1.00 0.00 C ATOM 1101 C GLY A 75 -12.365 5.770 1.004 1.00 0.00 C ATOM 1102 O GLY A 75 -11.779 5.818 -0.078 1.00 0.00 O ATOM 0 H GLY A 75 -10.573 3.911 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.439 4.040 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.314 4.678 2.844 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.956 6.825 1.555 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.951 8.129 0.904 1.00 0.00 C ATOM 1108 C ARG A 76 -12.208 9.157 1.752 1.00 0.00 C ATOM 1109 O ARG A 76 -12.752 9.687 2.721 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.384 8.602 0.650 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.467 9.982 0.019 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.898 10.495 -0.012 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.605 10.075 -1.219 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.217 8.903 -1.342 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.210 8.039 -0.336 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -17.839 8.594 -2.472 1.00 0.00 N ATOM 0 H ARG A 76 -13.444 6.802 2.450 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.434 8.028 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.885 7.884 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.928 8.610 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.842 10.678 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.071 9.944 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.432 10.132 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.894 11.583 0.045 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.630 10.717 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.734 8.274 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.681 7.139 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.847 9.257 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.309 7.694 -2.566 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.963 9.434 1.381 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.144 10.396 2.109 1.00 0.00 C ATOM 1132 C TYR A 77 -10.432 11.820 1.642 1.00 0.00 C ATOM 1133 O TYR A 77 -10.187 12.169 0.486 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.660 10.077 1.924 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.236 8.776 2.568 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -7.801 8.740 3.887 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -8.270 7.583 1.857 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -7.412 7.554 4.479 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.885 6.392 2.441 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.455 6.383 3.752 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.070 5.199 4.338 1.00 0.00 O ATOM 0 H TYR A 77 -10.499 9.006 0.580 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.395 10.322 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.436 10.035 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.067 10.890 2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.766 9.655 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.603 7.587 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.076 7.544 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.920 5.473 1.875 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.564 4.664 3.692 1.00 0.00 H new ATOM 1151 N THR A 78 -10.953 12.640 2.549 1.00 0.00 N ATOM 1152 CA THR A 78 -11.274 14.025 2.233 1.00 0.00 C ATOM 1153 C THR A 78 -10.472 14.988 3.100 1.00 0.00 C ATOM 1154 O THR A 78 -10.303 14.766 4.299 1.00 0.00 O ATOM 1155 CB THR A 78 -12.776 14.311 2.423 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.550 13.432 1.598 1.00 0.00 O ATOM 1157 CG2 THR A 78 -13.100 15.756 2.076 1.00 0.00 C ATOM 0 H THR A 78 -11.162 12.368 3.510 1.00 0.00 H new ATOM 0 HA THR A 78 -11.011 14.179 1.186 1.00 0.00 H new ATOM 0 HB THR A 78 -13.026 14.141 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.504 13.619 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.166 15.934 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.531 16.422 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.835 15.949 1.036 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.980 16.060 2.487 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.195 17.058 3.203 1.00 0.00 C ATOM 1167 C CYS A 79 -10.074 18.223 3.650 1.00 0.00 C ATOM 1168 O CYS A 79 -11.054 18.564 2.987 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.058 17.573 2.319 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.238 19.069 2.959 1.00 0.00 S ATOM 0 H CYS A 79 -10.111 16.259 1.495 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.772 16.584 4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.314 16.784 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.452 17.785 1.325 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.716 18.827 4.778 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.471 19.954 5.313 1.00 0.00 C ATOM 1177 C ILE A 80 -9.539 21.062 5.792 1.00 0.00 C ATOM 1178 O ILE A 80 -8.532 20.799 6.448 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.379 19.521 6.479 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.167 18.265 6.102 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.323 20.650 6.863 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.421 16.978 6.378 1.00 0.00 C ATOM 0 H ILE A 80 -8.909 18.555 5.339 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.093 20.332 4.501 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.753 19.289 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.107 18.256 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.420 18.309 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.958 20.328 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.743 21.521 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.945 20.911 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.040 16.129 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.494 16.965 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.191 16.911 7.441 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.884 22.302 5.462 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.081 23.451 5.862 1.00 0.00 C ATOM 1196 C ALA A 81 -9.890 24.413 6.725 1.00 0.00 C ATOM 1197 O ALA A 81 -10.810 25.072 6.241 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.538 24.168 4.635 1.00 0.00 C ATOM 0 H ALA A 81 -10.715 22.537 4.918 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.243 23.088 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.940 25.024 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.916 23.483 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.368 24.512 4.017 1.00 0.00 H new ATOM 1204 N SER A 82 -9.542 24.487 8.006 1.00 0.00 N ATOM 1205 CA SER A 82 -10.240 25.365 8.937 1.00 0.00 C ATOM 1206 C SER A 82 -9.439 26.639 9.187 1.00 0.00 C ATOM 1207 O SER A 82 -8.238 26.590 9.456 1.00 0.00 O ATOM 1208 CB SER A 82 -10.493 24.641 10.261 1.00 0.00 C ATOM 1209 OG SER A 82 -10.886 25.552 11.274 1.00 0.00 O ATOM 0 H SER A 82 -8.781 23.950 8.422 1.00 0.00 H new ATOM 0 HA SER A 82 -11.196 25.639 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.269 23.887 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.589 24.116 10.570 1.00 0.00 H new ATOM 0 HG SER A 82 -11.043 25.064 12.109 1.00 0.00 H new ATOM 1215 N THR A 83 -10.112 27.782 9.095 1.00 0.00 N ATOM 1216 CA THR A 83 -9.464 29.070 9.309 1.00 0.00 C ATOM 1217 C THR A 83 -10.402 30.048 10.007 1.00 0.00 C ATOM 1218 O THR A 83 -11.624 29.904 9.975 1.00 0.00 O ATOM 1219 CB THR A 83 -8.993 29.690 7.979 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.854 29.274 6.913 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.561 29.282 7.670 1.00 0.00 C ATOM 0 H THR A 83 -11.106 27.842 8.874 1.00 0.00 H new ATOM 0 HA THR A 83 -8.597 28.886 9.943 1.00 0.00 H new ATOM 0 HB THR A 83 -9.032 30.775 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.788 29.353 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.250 29.731 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.904 29.625 8.469 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.501 28.196 7.592 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.819 31.067 10.655 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.586 32.090 11.374 1.00 0.00 C ATOM 1231 C PRO A 84 -11.360 33.004 10.430 1.00 0.00 C ATOM 1232 O PRO A 84 -12.032 33.937 10.867 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.509 32.881 12.120 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.269 32.684 11.317 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.368 31.301 10.736 1.00 0.00 C ATOM 0 HA PRO A 84 -11.341 31.651 12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.771 33.937 12.191 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.383 32.515 13.139 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.191 33.434 10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.380 32.783 11.940 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.896 31.243 9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.877 30.563 11.370 1.00 0.00 H new ATOM 1243 N SER A 85 -11.261 32.728 9.133 1.00 0.00 N ATOM 1244 CA SER A 85 -11.950 33.528 8.127 1.00 0.00 C ATOM 1245 C SER A 85 -12.951 32.679 7.350 1.00 0.00 C ATOM 1246 O SER A 85 -13.924 33.193 6.801 1.00 0.00 O ATOM 1247 CB SER A 85 -10.940 34.155 7.164 1.00 0.00 C ATOM 1248 OG SER A 85 -10.085 35.061 7.840 1.00 0.00 O ATOM 0 H SER A 85 -10.711 31.957 8.755 1.00 0.00 H new ATOM 0 HA SER A 85 -12.494 34.322 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.346 33.371 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.469 34.676 6.366 1.00 0.00 H new ATOM 0 HG SER A 85 -9.448 35.447 7.203 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.704 31.373 7.309 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.591 30.472 6.597 1.00 0.00 C ATOM 1256 C GLY A 86 -13.112 29.035 6.637 1.00 0.00 C ATOM 1257 O GLY A 86 -12.289 28.672 7.477 1.00 0.00 O ATOM 0 H GLY A 86 -11.905 30.923 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.589 30.531 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.675 30.795 5.559 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.628 28.215 5.727 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.249 26.808 5.664 1.00 0.00 C ATOM 1263 C GLU A 87 -13.556 26.223 4.289 1.00 0.00 C ATOM 1264 O GLU A 87 -14.546 26.587 3.654 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.981 26.011 6.745 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.478 24.585 6.896 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.552 23.636 7.389 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -14.718 23.513 8.620 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -15.228 23.015 6.541 1.00 0.00 O ATOM 0 H GLU A 87 -14.309 28.500 5.024 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.175 26.739 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.876 26.527 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.045 25.989 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.101 24.233 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.639 24.572 7.592 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.700 25.313 3.834 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.881 24.676 2.536 1.00 0.00 C ATOM 1278 C ALA A 88 -12.522 23.195 2.597 1.00 0.00 C ATOM 1279 O ALA A 88 -11.817 22.753 3.504 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.041 25.381 1.481 1.00 0.00 C ATOM 0 H ALA A 88 -11.875 25.001 4.346 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.933 24.758 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.186 24.895 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.346 26.425 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.988 25.329 1.759 1.00 0.00 H new ATOM 1286 N THR A 89 -13.012 22.432 1.625 1.00 0.00 N ATOM 1287 CA THR A 89 -12.745 21.000 1.569 1.00 0.00 C ATOM 1288 C THR A 89 -12.392 20.562 0.152 1.00 0.00 C ATOM 1289 O THR A 89 -12.565 21.318 -0.803 1.00 0.00 O ATOM 1290 CB THR A 89 -13.954 20.183 2.060 1.00 0.00 C ATOM 1291 OG1 THR A 89 -15.115 20.514 1.289 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.225 20.450 3.533 1.00 0.00 C ATOM 0 H THR A 89 -13.596 22.782 0.866 1.00 0.00 H new ATOM 0 HA THR A 89 -11.897 20.811 2.227 1.00 0.00 H new ATOM 0 HB THR A 89 -13.724 19.125 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.879 19.989 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.083 19.862 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.351 20.170 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.435 21.510 3.678 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.896 19.336 0.024 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.519 18.797 -1.278 1.00 0.00 C ATOM 1302 C TRP A 90 -12.025 17.368 -1.443 1.00 0.00 C ATOM 1303 O TRP A 90 -12.288 16.676 -0.460 1.00 0.00 O ATOM 1304 CB TRP A 90 -10.000 18.836 -1.449 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.549 18.493 -2.836 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -9.255 17.249 -3.319 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.339 19.405 -3.919 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.875 17.334 -4.636 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.918 18.646 -5.029 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.466 20.790 -4.061 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.625 19.226 -6.260 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.174 21.364 -5.283 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.758 20.583 -6.370 1.00 0.00 C ATOM 0 H TRP A 90 -11.746 18.697 0.805 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.980 19.417 -2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.638 19.832 -1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.544 18.140 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.313 16.334 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.604 16.547 -5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.787 21.400 -3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.304 18.626 -7.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.268 22.433 -5.403 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.538 21.062 -7.313 1.00 0.00 H new ATOM 1324 N SER A 91 -12.159 16.933 -2.691 1.00 0.00 N ATOM 1325 CA SER A 91 -12.638 15.586 -2.984 1.00 0.00 C ATOM 1326 C SER A 91 -11.473 14.653 -3.299 1.00 0.00 C ATOM 1327 O SER A 91 -10.566 15.006 -4.051 1.00 0.00 O ATOM 1328 CB SER A 91 -13.616 15.615 -4.160 1.00 0.00 C ATOM 1329 OG SER A 91 -12.936 15.831 -5.384 1.00 0.00 O ATOM 0 H SER A 91 -11.943 17.493 -3.516 1.00 0.00 H new ATOM 0 HA SER A 91 -13.154 15.209 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.163 14.673 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.352 16.404 -4.005 1.00 0.00 H new ATOM 0 HG SER A 91 -13.583 15.844 -6.120 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.507 13.458 -2.717 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.456 12.472 -2.936 1.00 0.00 C ATOM 1337 C ALA A 92 -10.872 11.102 -2.413 1.00 0.00 C ATOM 1338 O ALA A 92 -11.506 10.993 -1.363 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.163 12.922 -2.273 1.00 0.00 C ATOM 0 H ALA A 92 -12.251 13.150 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.290 12.387 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.387 12.176 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.849 13.876 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.325 13.037 -1.201 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.511 10.057 -3.151 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.850 8.693 -2.762 1.00 0.00 C ATOM 1347 C TYR A 93 -9.710 7.734 -3.092 1.00 0.00 C ATOM 1348 O TYR A 93 -9.150 7.771 -4.188 1.00 0.00 O ATOM 1349 CB TYR A 93 -12.130 8.243 -3.467 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.683 6.937 -2.941 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.958 5.758 -3.055 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.930 6.884 -2.331 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.460 4.562 -2.577 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.440 5.694 -1.849 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.701 4.535 -1.975 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.204 3.347 -1.497 1.00 0.00 O ATOM 0 H TYR A 93 -9.984 10.129 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.013 8.679 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.887 9.019 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.931 8.140 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.986 5.776 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.511 7.789 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.884 3.654 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.411 5.671 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.087 3.501 -1.102 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.372 6.876 -2.135 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.301 5.905 -2.323 1.00 0.00 C ATOM 1368 C ILE A 94 -8.851 4.484 -2.381 1.00 0.00 C ATOM 1369 O ILE A 94 -9.684 4.097 -1.562 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.256 5.994 -1.196 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.726 7.424 -1.074 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.116 5.020 -1.452 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.578 7.725 -2.013 1.00 0.00 C ATOM 0 H ILE A 94 -9.824 6.834 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.821 6.145 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.734 5.723 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.539 8.122 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.400 7.596 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.386 5.095 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.508 4.004 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.636 5.262 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.253 8.756 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.748 7.051 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.905 7.585 -3.043 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.378 3.711 -3.353 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.822 2.332 -3.516 1.00 0.00 C ATOM 1387 C GLU A 95 -7.671 1.358 -3.279 1.00 0.00 C ATOM 1388 O GLU A 95 -6.521 1.645 -3.614 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.402 2.122 -4.916 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.562 0.659 -5.295 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.639 0.442 -6.341 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.612 1.225 -6.361 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -10.509 -0.510 -7.138 1.00 0.00 O ATOM 0 H GLU A 95 -7.688 4.016 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.598 2.137 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.374 2.612 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.755 2.609 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.612 0.279 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.805 0.081 -4.403 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.989 0.205 -2.699 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.983 -0.812 -2.417 1.00 0.00 C ATOM 1402 C VAL A 96 -7.303 -2.116 -3.139 1.00 0.00 C ATOM 1403 O VAL A 96 -8.284 -2.787 -2.821 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.872 -1.088 -0.906 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.767 -2.095 -0.626 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.630 0.207 -0.145 1.00 0.00 C ATOM 0 H VAL A 96 -8.935 -0.048 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.031 -0.424 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.814 -1.515 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.704 -2.277 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.988 -3.030 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.816 -1.700 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.554 -0.006 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.703 0.664 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.460 0.892 -0.320 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.467 -2.469 -4.110 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.662 -3.694 -4.877 1.00 0.00 C ATOM 1418 C GLN A 97 -5.589 -4.724 -4.539 1.00 0.00 C ATOM 1419 O GLN A 97 -4.396 -4.428 -4.585 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.641 -3.391 -6.376 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.917 -2.739 -6.884 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.974 -2.668 -8.397 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -8.142 -3.684 -9.072 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -7.834 -1.464 -8.939 1.00 0.00 N ATOM 0 H GLN A 97 -5.649 -1.925 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.634 -4.109 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.797 -2.736 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.474 -4.319 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.777 -3.299 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.994 -1.732 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.697 -0.649 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.864 -1.354 -9.953 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.024 -5.934 -4.200 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.099 -7.007 -3.853 1.00 0.00 C ATOM 1435 C GLU A 98 -4.277 -7.430 -5.066 1.00 0.00 C ATOM 1436 O GLU A 98 -4.823 -7.707 -6.134 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.865 -8.210 -3.297 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.069 -9.026 -2.293 1.00 0.00 C ATOM 1439 CD GLU A 98 -5.761 -10.322 -1.917 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -5.539 -11.336 -2.612 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.523 -10.323 -0.928 1.00 0.00 O ATOM 0 H GLU A 98 -7.009 -6.195 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.419 -6.633 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.781 -7.859 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.161 -8.855 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.087 -9.250 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.906 -8.431 -1.394 1.00 0.00 H new