USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 66 LYS NZ :NH3+ -159:sc= -0.763 (180deg=-1.25) USER MOD Set 1.2: A 71 ASN : amide:sc= -2.34 K(o=-3.1,f=-2.2) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 11 THR OG1 : rot 98:sc= 0.293 USER MOD Single : A 21 CYS SG : rot -137:sc= 0.186 USER MOD Single : A 23 HIS : no HD1:sc= -0.899 X(o=-0.9,f=-0.51) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.106 (180deg=-0.519) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= -0.543 (180deg=-0.794) USER MOD Single : A 40 THR OG1 : rot 46:sc= 1.07 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.128 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -5.09 K(o=-5.1,f=-12!) USER MOD Single : A 48 TYR OH : rot 25:sc= 1.29 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.14) USER MOD Single : A 62 ASN : amide:sc= -0.0324 X(o=-0.032,f=-0.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.34 K(o=-2.3,f=-12!) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= -0.812 (180deg=-1.24) USER MOD Single : A 76 GLN : amide:sc= -0.0941 X(o=-0.094,f=-0.19) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -9:sc= 0.829 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -12.681 -12.900 4.721 1.00 1.00 N ATOM 114 CA ALA A 9 -11.922 -11.700 5.085 1.00 1.00 C ATOM 115 C ALA A 9 -12.848 -10.476 5.174 1.00 1.00 C ATOM 116 O ALA A 9 -13.275 -9.939 4.152 1.00 1.00 O ATOM 117 CB ALA A 9 -10.826 -11.455 4.032 1.00 1.00 C ATOM 0 HA ALA A 9 -11.465 -11.853 6.063 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -10.258 -10.563 4.298 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -10.156 -12.314 3.997 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -11.286 -11.314 3.054 1.00 1.00 H new ATOM 123 N ASN A 10 -13.146 -10.035 6.392 1.00 1.00 N ATOM 124 CA ASN A 10 -14.017 -8.871 6.611 1.00 1.00 C ATOM 125 C ASN A 10 -13.374 -7.612 6.024 1.00 1.00 C ATOM 126 O ASN A 10 -14.054 -6.749 5.470 1.00 1.00 O ATOM 127 CB ASN A 10 -14.272 -8.690 8.122 1.00 1.00 C ATOM 128 CG ASN A 10 -15.210 -7.506 8.382 1.00 1.00 C ATOM 129 OD1 ASN A 10 -14.758 -6.365 8.477 1.00 1.00 O ATOM 130 ND2 ASN A 10 -16.494 -7.713 8.487 1.00 1.00 N ATOM 0 H ASN A 10 -12.799 -10.464 7.250 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.970 -9.038 6.109 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.708 -9.601 8.533 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -13.325 -8.529 8.638 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -17.126 -6.928 8.648 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -16.866 -8.659 8.408 1.00 1.00 H new ATOM 137 N THR A 11 -12.055 -7.510 6.145 1.00 1.00 N ATOM 138 CA THR A 11 -11.322 -6.350 5.625 1.00 1.00 C ATOM 139 C THR A 11 -11.446 -6.286 4.099 1.00 1.00 C ATOM 140 O THR A 11 -11.694 -7.291 3.431 1.00 1.00 O ATOM 141 CB THR A 11 -9.841 -6.452 6.035 1.00 1.00 C ATOM 142 OG1 THR A 11 -9.294 -7.643 5.491 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.713 -6.481 7.572 1.00 1.00 C ATOM 0 H THR A 11 -11.468 -8.212 6.596 1.00 1.00 H new ATOM 0 HA THR A 11 -11.748 -5.439 6.045 1.00 1.00 H new ATOM 0 HB THR A 11 -9.301 -5.585 5.655 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.811 -7.433 4.664 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.661 -6.553 7.848 1.00 1.00 H new ATOM 0 HG22 THR A 11 -10.136 -5.567 7.990 1.00 1.00 H new ATOM 0 HG23 THR A 11 -10.252 -7.343 7.966 1.00 1.00 H new ATOM 151 N LEU A 12 -11.272 -5.089 3.549 1.00 1.00 N ATOM 152 CA LEU A 12 -11.378 -4.865 2.089 1.00 1.00 C ATOM 153 C LEU A 12 -10.037 -5.181 1.411 1.00 1.00 C ATOM 154 O LEU A 12 -9.906 -5.060 0.193 1.00 1.00 O ATOM 155 CB LEU A 12 -11.809 -3.386 1.814 1.00 1.00 C ATOM 156 CG LEU A 12 -13.348 -3.190 2.003 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.791 -3.590 3.435 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.721 -1.714 1.720 1.00 1.00 C ATOM 0 H LEU A 12 -11.056 -4.248 4.084 1.00 1.00 H new ATOM 0 HA LEU A 12 -12.135 -5.530 1.672 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -11.271 -2.719 2.488 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.528 -3.108 0.798 1.00 1.00 H new ATOM 0 HG LEU A 12 -13.869 -3.838 1.299 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.866 -3.443 3.538 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -13.549 -4.638 3.611 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.269 -2.970 4.164 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.794 -1.578 1.852 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -13.185 -1.064 2.412 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.446 -1.459 0.696 1.00 1.00 H new ATOM 170 N PHE A 13 -9.042 -5.585 2.195 1.00 1.00 N ATOM 171 CA PHE A 13 -7.689 -5.920 1.685 1.00 1.00 C ATOM 172 C PHE A 13 -7.357 -7.400 1.946 1.00 1.00 C ATOM 173 O PHE A 13 -7.670 -7.956 2.998 1.00 1.00 O ATOM 174 CB PHE A 13 -6.668 -5.014 2.401 1.00 1.00 C ATOM 175 CG PHE A 13 -6.934 -3.554 2.007 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.319 -3.010 0.861 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.807 -2.752 2.767 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.572 -1.684 0.487 1.00 1.00 C ATOM 179 CE2 PHE A 13 -8.059 -1.426 2.386 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.440 -0.893 1.248 1.00 1.00 C ATOM 0 H PHE A 13 -9.137 -5.694 3.205 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.652 -5.757 0.608 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.751 -5.134 3.481 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.653 -5.300 2.125 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.650 -3.618 0.269 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.284 -3.159 3.646 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.096 -1.271 -0.390 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.731 -0.815 2.971 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.633 0.129 0.958 1.00 1.00 H new ATOM 190 N VAL A 14 -6.709 -8.024 0.967 1.00 1.00 N ATOM 191 CA VAL A 14 -6.313 -9.451 1.041 1.00 1.00 C ATOM 192 C VAL A 14 -4.869 -9.637 0.570 1.00 1.00 C ATOM 193 O VAL A 14 -4.304 -8.788 -0.121 1.00 1.00 O ATOM 194 CB VAL A 14 -7.274 -10.307 0.169 1.00 1.00 C ATOM 195 CG1 VAL A 14 -8.709 -10.240 0.752 1.00 1.00 C ATOM 196 CG2 VAL A 14 -7.284 -9.794 -1.294 1.00 1.00 C ATOM 0 H VAL A 14 -6.438 -7.567 0.096 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.379 -9.779 2.078 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.924 -11.339 0.176 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -9.380 -10.841 0.138 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -8.706 -10.626 1.771 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -9.052 -9.205 0.757 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -7.962 -10.405 -1.889 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -7.619 -8.757 -1.314 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -6.278 -9.859 -1.709 1.00 1.00 H new ATOM 206 N ASP A 15 -4.276 -10.762 0.952 1.00 1.00 N ATOM 207 CA ASP A 15 -2.899 -11.095 0.591 1.00 1.00 C ATOM 208 C ASP A 15 -2.748 -11.267 -0.925 1.00 1.00 C ATOM 209 O ASP A 15 -3.627 -11.783 -1.615 1.00 1.00 O ATOM 210 CB ASP A 15 -2.495 -12.403 1.309 1.00 1.00 C ATOM 211 CG ASP A 15 -1.042 -12.802 1.015 1.00 1.00 C ATOM 212 OD1 ASP A 15 -0.327 -12.010 0.423 1.00 1.00 O ATOM 213 OD2 ASP A 15 -0.668 -13.902 1.388 1.00 1.00 O ATOM 0 H ASP A 15 -4.736 -11.472 1.522 1.00 1.00 H new ATOM 0 HA ASP A 15 -2.248 -10.278 0.901 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.626 -12.280 2.384 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -3.161 -13.207 0.997 1.00 1.00 H new ATOM 218 N GLY A 16 -1.603 -10.846 -1.450 1.00 1.00 N ATOM 219 CA GLY A 16 -1.303 -10.950 -2.883 1.00 1.00 C ATOM 220 C GLY A 16 -1.803 -9.727 -3.635 1.00 1.00 C ATOM 221 O GLY A 16 -1.395 -9.500 -4.773 1.00 1.00 O ATOM 0 H GLY A 16 -0.855 -10.423 -0.900 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -0.228 -11.055 -3.026 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.768 -11.847 -3.291 1.00 1.00 H new ATOM 225 N GLU A 17 -2.656 -8.933 -2.995 1.00 1.00 N ATOM 226 CA GLU A 17 -3.203 -7.717 -3.611 1.00 1.00 C ATOM 227 C GLU A 17 -2.126 -6.635 -3.723 1.00 1.00 C ATOM 228 O GLU A 17 -1.328 -6.430 -2.808 1.00 1.00 O ATOM 229 CB GLU A 17 -4.390 -7.203 -2.757 1.00 1.00 C ATOM 230 CG GLU A 17 -5.093 -5.974 -3.407 1.00 1.00 C ATOM 231 CD GLU A 17 -5.756 -6.346 -4.738 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.066 -7.514 -4.923 1.00 1.00 O ATOM 233 OE2 GLU A 17 -5.939 -5.458 -5.553 1.00 1.00 O ATOM 0 H GLU A 17 -2.988 -9.106 -2.046 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.551 -7.953 -4.617 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.115 -8.006 -2.625 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.031 -6.931 -1.765 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -5.844 -5.579 -2.723 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -4.363 -5.181 -3.572 1.00 1.00 H new ATOM 240 N ARG A 18 -2.119 -5.930 -4.849 1.00 1.00 N ATOM 241 CA ARG A 18 -1.154 -4.842 -5.091 1.00 1.00 C ATOM 242 C ARG A 18 -1.776 -3.514 -4.647 1.00 1.00 C ATOM 243 O ARG A 18 -2.881 -3.161 -5.062 1.00 1.00 O ATOM 244 CB ARG A 18 -0.794 -4.800 -6.594 1.00 1.00 C ATOM 245 CG ARG A 18 0.296 -3.729 -6.876 1.00 1.00 C ATOM 246 CD ARG A 18 0.745 -3.800 -8.349 1.00 1.00 C ATOM 247 NE ARG A 18 1.389 -5.093 -8.610 1.00 1.00 N ATOM 248 CZ ARG A 18 1.829 -5.441 -9.823 1.00 1.00 C ATOM 249 NH1 ARG A 18 1.687 -4.633 -10.844 1.00 1.00 N ATOM 250 NH2 ARG A 18 2.407 -6.601 -9.993 1.00 1.00 N ATOM 0 H ARG A 18 -2.771 -6.087 -5.618 1.00 1.00 H new ATOM 0 HA ARG A 18 -0.242 -5.014 -4.520 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.438 -5.779 -6.914 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.686 -4.579 -7.179 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -0.094 -2.736 -6.655 1.00 1.00 H new ATOM 0 HG3 ARG A 18 1.151 -3.889 -6.220 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -0.114 -3.672 -9.007 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.438 -2.987 -8.567 1.00 1.00 H new ATOM 0 HE ARG A 18 1.505 -5.749 -7.838 1.00 1.00 H new ATOM 0 HH11 ARG A 18 1.236 -3.727 -10.718 1.00 1.00 H new ATOM 0 HH12 ARG A 18 2.027 -4.910 -11.765 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.520 -7.235 -9.202 1.00 1.00 H new ATOM 0 HH22 ARG A 18 2.745 -6.872 -10.916 1.00 1.00 H new ATOM 264 N VAL A 19 -1.073 -2.765 -3.805 1.00 1.00 N ATOM 265 CA VAL A 19 -1.560 -1.462 -3.289 1.00 1.00 C ATOM 266 C VAL A 19 -0.448 -0.425 -3.339 1.00 1.00 C ATOM 267 O VAL A 19 0.727 -0.737 -3.528 1.00 1.00 O ATOM 268 CB VAL A 19 -2.068 -1.615 -1.825 1.00 1.00 C ATOM 269 CG1 VAL A 19 -3.210 -2.657 -1.784 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.903 -2.049 -0.876 1.00 1.00 C ATOM 0 H VAL A 19 -0.153 -3.030 -3.454 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.385 -1.130 -3.919 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.443 -0.652 -1.479 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.567 -2.766 -0.760 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -4.030 -2.324 -2.421 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.839 -3.617 -2.143 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -1.281 -2.150 0.141 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.499 -3.005 -1.209 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -0.116 -1.295 -0.898 1.00 1.00 H new ATOM 280 N LEU A 20 -0.834 0.833 -3.151 1.00 1.00 N ATOM 281 CA LEU A 20 0.112 1.959 -3.168 1.00 1.00 C ATOM 282 C LEU A 20 0.379 2.450 -1.738 1.00 1.00 C ATOM 283 O LEU A 20 -0.503 2.448 -0.878 1.00 1.00 O ATOM 284 CB LEU A 20 -0.486 3.099 -4.016 1.00 1.00 C ATOM 285 CG LEU A 20 -0.876 2.602 -5.445 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.505 3.772 -6.235 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.358 2.038 -6.218 1.00 1.00 C ATOM 0 H LEU A 20 -1.802 1.106 -2.983 1.00 1.00 H new ATOM 0 HA LEU A 20 1.058 1.635 -3.602 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.367 3.503 -3.517 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.236 3.912 -4.096 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.596 1.790 -5.341 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.779 3.431 -7.233 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.395 4.125 -5.715 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.785 4.586 -6.315 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.046 1.703 -7.207 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.111 2.819 -6.321 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.780 1.198 -5.667 1.00 1.00 H new ATOM 299 N CYS A 21 1.613 2.879 -1.491 1.00 1.00 N ATOM 300 CA CYS A 21 2.033 3.381 -0.160 1.00 1.00 C ATOM 301 C CYS A 21 2.621 4.790 -0.279 1.00 1.00 C ATOM 302 O CYS A 21 3.675 4.990 -0.882 1.00 1.00 O ATOM 303 CB CYS A 21 3.088 2.429 0.432 1.00 1.00 C ATOM 304 SG CYS A 21 3.509 2.952 2.115 1.00 1.00 S ATOM 0 H CYS A 21 2.354 2.894 -2.192 1.00 1.00 H new ATOM 0 HA CYS A 21 1.162 3.422 0.494 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.705 1.409 0.443 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.981 2.427 -0.193 1.00 1.00 H new ATOM 0 HG CYS A 21 4.796 2.874 2.285 1.00 1.00 H new ATOM 310 N PHE A 22 1.941 5.770 0.308 1.00 1.00 N ATOM 311 CA PHE A 22 2.394 7.175 0.280 1.00 1.00 C ATOM 312 C PHE A 22 3.124 7.512 1.580 1.00 1.00 C ATOM 313 O PHE A 22 2.927 6.873 2.613 1.00 1.00 O ATOM 314 CB PHE A 22 1.178 8.106 0.082 1.00 1.00 C ATOM 315 CG PHE A 22 0.163 7.927 1.224 1.00 1.00 C ATOM 316 CD1 PHE A 22 0.267 8.709 2.394 1.00 1.00 C ATOM 317 CD2 PHE A 22 -0.887 6.994 1.108 1.00 1.00 C ATOM 318 CE1 PHE A 22 -0.667 8.557 3.428 1.00 1.00 C ATOM 319 CE2 PHE A 22 -1.816 6.845 2.148 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.707 7.627 3.304 1.00 1.00 C ATOM 0 H PHE A 22 1.068 5.625 0.814 1.00 1.00 H new ATOM 0 HA PHE A 22 3.085 7.319 -0.551 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.511 9.143 0.044 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.700 7.889 -0.873 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.068 9.426 2.493 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -0.976 6.392 0.216 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -0.585 9.158 4.322 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -2.617 6.126 2.057 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.426 7.513 4.102 1.00 1.00 H new ATOM 330 N HIS A 23 3.985 8.523 1.533 1.00 1.00 N ATOM 331 CA HIS A 23 4.753 8.938 2.718 1.00 1.00 C ATOM 332 C HIS A 23 5.367 10.321 2.496 1.00 1.00 C ATOM 333 O HIS A 23 6.270 10.738 3.221 1.00 1.00 O ATOM 334 CB HIS A 23 5.850 7.890 3.013 1.00 1.00 C ATOM 335 CG HIS A 23 6.537 8.192 4.325 1.00 1.00 C ATOM 336 ND1 HIS A 23 5.934 7.938 5.546 1.00 1.00 N ATOM 337 CD2 HIS A 23 7.766 8.729 4.617 1.00 1.00 C ATOM 338 CE1 HIS A 23 6.792 8.319 6.510 1.00 1.00 C ATOM 339 NE2 HIS A 23 7.924 8.809 5.999 1.00 1.00 N ATOM 0 H HIS A 23 4.173 9.073 0.695 1.00 1.00 H new ATOM 0 HA HIS A 23 4.086 9.001 3.578 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.409 6.894 3.049 1.00 1.00 H new ATOM 0 HB3 HIS A 23 6.582 7.885 2.206 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.498 9.042 3.887 1.00 1.00 H new ATOM 0 HE1 HIS A 23 6.590 8.238 7.568 1.00 1.00 H new ATOM 0 HE2 HIS A 23 8.731 9.165 6.511 1.00 1.00 H new ATOM 348 N GLY A 24 4.866 11.031 1.491 1.00 1.00 N ATOM 349 CA GLY A 24 5.363 12.374 1.174 1.00 1.00 C ATOM 350 C GLY A 24 4.624 12.975 -0.034 1.00 1.00 C ATOM 351 O GLY A 24 3.602 12.432 -0.451 1.00 1.00 O ATOM 0 H GLY A 24 4.117 10.704 0.880 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.237 13.024 2.040 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.431 12.328 0.963 1.00 1.00 H new ATOM 355 N PRO A 25 5.102 14.055 -0.591 1.00 1.00 N ATOM 356 CA PRO A 25 4.428 14.703 -1.781 1.00 1.00 C ATOM 357 C PRO A 25 4.369 13.784 -3.021 1.00 1.00 C ATOM 358 O PRO A 25 4.058 14.243 -4.121 1.00 1.00 O ATOM 359 CB PRO A 25 5.295 15.981 -2.051 1.00 1.00 C ATOM 360 CG PRO A 25 6.019 16.227 -0.750 1.00 1.00 C ATOM 361 CD PRO A 25 6.316 14.824 -0.196 1.00 1.00 C ATOM 0 HA PRO A 25 3.382 14.930 -1.575 1.00 1.00 H new ATOM 0 HB2 PRO A 25 5.995 15.820 -2.871 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.672 16.832 -2.326 1.00 1.00 H new ATOM 0 HG2 PRO A 25 6.937 16.792 -0.909 1.00 1.00 H new ATOM 0 HG3 PRO A 25 5.405 16.804 -0.058 1.00 1.00 H new ATOM 0 HD2 PRO A 25 7.223 14.401 -0.629 1.00 1.00 H new ATOM 0 HD3 PRO A 25 6.454 14.836 0.885 1.00 1.00 H new ATOM 369 N LEU A 26 4.678 12.503 -2.853 1.00 1.00 N ATOM 370 CA LEU A 26 4.655 11.542 -3.985 1.00 1.00 C ATOM 371 C LEU A 26 4.258 10.137 -3.510 1.00 1.00 C ATOM 372 O LEU A 26 4.659 9.672 -2.444 1.00 1.00 O ATOM 373 CB LEU A 26 6.043 11.505 -4.650 1.00 1.00 C ATOM 374 CG LEU A 26 6.075 10.649 -5.962 1.00 1.00 C ATOM 375 CD1 LEU A 26 5.147 11.238 -7.073 1.00 1.00 C ATOM 376 CD2 LEU A 26 7.540 10.580 -6.478 1.00 1.00 C ATOM 0 H LEU A 26 4.947 12.094 -1.958 1.00 1.00 H new ATOM 0 HA LEU A 26 3.910 11.872 -4.709 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.356 12.523 -4.880 1.00 1.00 H new ATOM 0 HB3 LEU A 26 6.767 11.101 -3.942 1.00 1.00 H new ATOM 0 HG LEU A 26 5.703 9.651 -5.729 1.00 1.00 H new ATOM 0 HD11 LEU A 26 5.202 10.611 -7.963 1.00 1.00 H new ATOM 0 HD12 LEU A 26 4.119 11.265 -6.712 1.00 1.00 H new ATOM 0 HD13 LEU A 26 5.472 12.249 -7.320 1.00 1.00 H new ATOM 0 HD21 LEU A 26 7.576 9.987 -7.392 1.00 1.00 H new ATOM 0 HD22 LEU A 26 7.901 11.588 -6.685 1.00 1.00 H new ATOM 0 HD23 LEU A 26 8.172 10.117 -5.719 1.00 1.00 H new ATOM 388 N ILE A 27 3.461 9.467 -4.338 1.00 1.00 N ATOM 389 CA ILE A 27 2.986 8.107 -4.050 1.00 1.00 C ATOM 390 C ILE A 27 4.012 7.083 -4.553 1.00 1.00 C ATOM 391 O ILE A 27 4.728 7.318 -5.525 1.00 1.00 O ATOM 392 CB ILE A 27 1.611 7.909 -4.744 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.602 8.988 -4.218 1.00 1.00 C ATOM 394 CG2 ILE A 27 1.056 6.485 -4.457 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.655 9.020 -5.091 1.00 1.00 C ATOM 0 H ILE A 27 3.125 9.844 -5.224 1.00 1.00 H new ATOM 0 HA ILE A 27 2.868 7.962 -2.976 1.00 1.00 H new ATOM 0 HB ILE A 27 1.739 8.021 -5.821 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.329 8.767 -3.186 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.077 9.969 -4.219 1.00 1.00 H new ATOM 0 HG21 ILE A 27 0.092 6.364 -4.951 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.754 5.739 -4.836 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.932 6.353 -3.382 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.343 9.775 -4.710 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.379 9.265 -6.117 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.139 8.043 -5.068 1.00 1.00 H new ATOM 407 N TYR A 28 4.063 5.936 -3.884 1.00 1.00 N ATOM 408 CA TYR A 28 5.004 4.846 -4.247 1.00 1.00 C ATOM 409 C TYR A 28 4.273 3.510 -4.335 1.00 1.00 C ATOM 410 O TYR A 28 3.188 3.327 -3.784 1.00 1.00 O ATOM 411 CB TYR A 28 6.133 4.775 -3.199 1.00 1.00 C ATOM 412 CG TYR A 28 6.889 6.113 -3.180 1.00 1.00 C ATOM 413 CD1 TYR A 28 7.947 6.340 -4.084 1.00 1.00 C ATOM 414 CD2 TYR A 28 6.526 7.130 -2.273 1.00 1.00 C ATOM 415 CE1 TYR A 28 8.630 7.564 -4.075 1.00 1.00 C ATOM 416 CE2 TYR A 28 7.215 8.352 -2.273 1.00 1.00 C ATOM 417 CZ TYR A 28 8.264 8.567 -3.172 1.00 1.00 C ATOM 418 OH TYR A 28 8.937 9.772 -3.171 1.00 1.00 O ATOM 0 H TYR A 28 3.468 5.723 -3.083 1.00 1.00 H new ATOM 0 HA TYR A 28 5.434 5.058 -5.226 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.718 4.564 -2.213 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.817 3.960 -3.438 1.00 1.00 H new ATOM 0 HD1 TYR A 28 8.232 5.569 -4.785 1.00 1.00 H new ATOM 0 HD2 TYR A 28 5.716 6.968 -1.577 1.00 1.00 H new ATOM 0 HE1 TYR A 28 9.441 7.733 -4.768 1.00 1.00 H new ATOM 0 HE2 TYR A 28 6.934 9.129 -1.577 1.00 1.00 H new ATOM 0 HH TYR A 28 8.557 10.358 -2.484 1.00 1.00 H new ATOM 428 N GLU A 29 4.879 2.563 -5.047 1.00 1.00 N ATOM 429 CA GLU A 29 4.289 1.230 -5.241 1.00 1.00 C ATOM 430 C GLU A 29 4.637 0.296 -4.078 1.00 1.00 C ATOM 431 O GLU A 29 5.760 0.288 -3.573 1.00 1.00 O ATOM 432 CB GLU A 29 4.807 0.640 -6.573 1.00 1.00 C ATOM 433 CG GLU A 29 4.090 -0.693 -6.909 1.00 1.00 C ATOM 434 CD GLU A 29 4.562 -1.247 -8.257 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.582 -0.789 -8.753 1.00 1.00 O ATOM 436 OE2 GLU A 29 3.897 -2.130 -8.771 1.00 1.00 O ATOM 0 H GLU A 29 5.782 2.690 -5.503 1.00 1.00 H new ATOM 0 HA GLU A 29 3.204 1.326 -5.274 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.646 1.356 -7.379 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.882 0.472 -6.506 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.285 -1.423 -6.123 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.012 -0.534 -6.935 1.00 1.00 H new ATOM 443 N ALA A 30 3.663 -0.508 -3.668 1.00 1.00 N ATOM 444 CA ALA A 30 3.834 -1.468 -2.567 1.00 1.00 C ATOM 445 C ALA A 30 2.981 -2.704 -2.826 1.00 1.00 C ATOM 446 O ALA A 30 2.174 -2.745 -3.755 1.00 1.00 O ATOM 447 CB ALA A 30 3.422 -0.800 -1.248 1.00 1.00 C ATOM 0 H ALA A 30 2.732 -0.518 -4.084 1.00 1.00 H new ATOM 0 HA ALA A 30 4.878 -1.774 -2.502 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.547 -1.507 -0.428 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.048 0.074 -1.072 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.378 -0.492 -1.307 1.00 1.00 H new ATOM 453 N LYS A 31 3.153 -3.737 -2.008 1.00 1.00 N ATOM 454 CA LYS A 31 2.384 -5.000 -2.162 1.00 1.00 C ATOM 455 C LYS A 31 2.002 -5.576 -0.795 1.00 1.00 C ATOM 456 O LYS A 31 2.729 -5.445 0.188 1.00 1.00 O ATOM 457 CB LYS A 31 3.234 -6.030 -2.947 1.00 1.00 C ATOM 458 CG LYS A 31 2.383 -7.274 -3.343 1.00 1.00 C ATOM 459 CD LYS A 31 3.212 -8.291 -4.205 1.00 1.00 C ATOM 460 CE LYS A 31 4.112 -9.177 -3.319 1.00 1.00 C ATOM 461 NZ LYS A 31 4.845 -10.149 -4.175 1.00 1.00 N ATOM 0 H LYS A 31 3.812 -3.740 -1.229 1.00 1.00 H new ATOM 0 HA LYS A 31 1.467 -4.785 -2.711 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.640 -5.563 -3.844 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.083 -6.344 -2.339 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.021 -7.770 -2.442 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.505 -6.952 -3.904 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.533 -8.920 -4.781 1.00 1.00 H new ATOM 0 HD3 LYS A 31 3.827 -7.746 -4.921 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.818 -8.558 -2.765 1.00 1.00 H new ATOM 0 HE3 LYS A 31 3.508 -9.707 -2.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.452 -10.747 -3.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 4.163 -10.747 -4.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.433 -9.633 -4.861 1.00 1.00 H new ATOM 475 N VAL A 32 0.847 -6.232 -0.742 1.00 1.00 N ATOM 476 CA VAL A 32 0.339 -6.851 0.490 1.00 1.00 C ATOM 477 C VAL A 32 0.825 -8.308 0.569 1.00 1.00 C ATOM 478 O VAL A 32 0.369 -9.170 -0.182 1.00 1.00 O ATOM 479 CB VAL A 32 -1.221 -6.795 0.489 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.785 -7.258 1.854 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.694 -5.347 0.213 1.00 1.00 C ATOM 0 H VAL A 32 0.233 -6.353 -1.548 1.00 1.00 H new ATOM 0 HA VAL A 32 0.712 -6.310 1.360 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.587 -7.461 -0.292 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.874 -7.212 1.832 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.469 -8.283 2.049 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -1.410 -6.606 2.643 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.783 -5.314 0.213 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -1.310 -4.685 0.989 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.321 -5.021 -0.758 1.00 1.00 H new ATOM 491 N LEU A 33 1.733 -8.589 1.497 1.00 1.00 N ATOM 492 CA LEU A 33 2.276 -9.954 1.671 1.00 1.00 C ATOM 493 C LEU A 33 1.361 -10.771 2.558 1.00 1.00 C ATOM 494 O LEU A 33 1.233 -11.982 2.376 1.00 1.00 O ATOM 495 CB LEU A 33 3.700 -9.895 2.293 1.00 1.00 C ATOM 496 CG LEU A 33 4.312 -11.316 2.580 1.00 1.00 C ATOM 497 CD1 LEU A 33 4.364 -12.182 1.298 1.00 1.00 C ATOM 498 CD2 LEU A 33 5.741 -11.155 3.162 1.00 1.00 C ATOM 0 H LEU A 33 2.115 -7.900 2.145 1.00 1.00 H new ATOM 0 HA LEU A 33 2.339 -10.429 0.692 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.362 -9.351 1.618 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.659 -9.330 3.224 1.00 1.00 H new ATOM 0 HG LEU A 33 3.670 -11.823 3.301 1.00 1.00 H new ATOM 0 HD11 LEU A 33 4.792 -13.156 1.534 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.355 -12.314 0.907 1.00 1.00 H new ATOM 0 HD13 LEU A 33 4.981 -11.686 0.549 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.166 -12.139 3.361 1.00 1.00 H new ATOM 0 HD22 LEU A 33 6.369 -10.627 2.444 1.00 1.00 H new ATOM 0 HD23 LEU A 33 5.694 -10.586 4.090 1.00 1.00 H new ATOM 510 N LYS A 34 0.744 -10.124 3.541 1.00 1.00 N ATOM 511 CA LYS A 34 -0.152 -10.815 4.479 1.00 1.00 C ATOM 512 C LYS A 34 -1.076 -9.809 5.161 1.00 1.00 C ATOM 513 O LYS A 34 -0.757 -8.628 5.295 1.00 1.00 O ATOM 514 CB LYS A 34 0.688 -11.595 5.521 1.00 1.00 C ATOM 515 CG LYS A 34 -0.224 -12.392 6.499 1.00 1.00 C ATOM 516 CD LYS A 34 0.612 -13.338 7.399 1.00 1.00 C ATOM 517 CE LYS A 34 1.609 -12.555 8.290 1.00 1.00 C ATOM 518 NZ LYS A 34 0.946 -11.349 8.864 1.00 1.00 N ATOM 0 H LYS A 34 0.844 -9.124 3.714 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.773 -11.525 3.933 1.00 1.00 H new ATOM 0 HB2 LYS A 34 1.362 -12.281 5.008 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.309 -10.899 6.085 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.788 -11.698 7.122 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -0.950 -12.974 5.931 1.00 1.00 H new ATOM 0 HD2 LYS A 34 -0.057 -13.924 8.030 1.00 1.00 H new ATOM 0 HD3 LYS A 34 1.160 -14.043 6.774 1.00 1.00 H new ATOM 0 HE2 LYS A 34 1.972 -13.196 9.093 1.00 1.00 H new ATOM 0 HE3 LYS A 34 2.477 -12.257 7.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 1.467 -11.035 9.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 0.940 -10.586 8.157 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 -0.032 -11.583 9.128 1.00 1.00 H new ATOM 532 N THR A 35 -2.239 -10.295 5.584 1.00 1.00 N ATOM 533 CA THR A 35 -3.250 -9.448 6.257 1.00 1.00 C ATOM 534 C THR A 35 -3.813 -10.144 7.487 1.00 1.00 C ATOM 535 O THR A 35 -4.008 -11.360 7.498 1.00 1.00 O ATOM 536 CB THR A 35 -4.411 -9.153 5.286 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.086 -10.365 4.976 1.00 1.00 O ATOM 538 CG2 THR A 35 -3.868 -8.538 3.994 1.00 1.00 C ATOM 0 H THR A 35 -2.516 -11.271 5.478 1.00 1.00 H new ATOM 0 HA THR A 35 -2.763 -8.521 6.562 1.00 1.00 H new ATOM 0 HB THR A 35 -5.101 -8.453 5.758 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.825 -10.179 4.360 1.00 1.00 H new ATOM 0 HG21 THR A 35 -4.694 -8.333 3.313 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.348 -7.608 4.224 1.00 1.00 H new ATOM 0 HG23 THR A 35 -3.175 -9.235 3.523 1.00 1.00 H new ATOM 546 N LYS A 36 -4.105 -9.360 8.519 1.00 1.00 N ATOM 547 CA LYS A 36 -4.690 -9.924 9.763 1.00 1.00 C ATOM 548 C LYS A 36 -6.130 -9.396 9.951 1.00 1.00 C ATOM 549 O LYS A 36 -6.316 -8.455 10.723 1.00 1.00 O ATOM 550 CB LYS A 36 -3.797 -9.552 10.966 1.00 1.00 C ATOM 551 CG LYS A 36 -4.328 -10.209 12.273 1.00 1.00 C ATOM 552 CD LYS A 36 -3.380 -9.896 13.448 1.00 1.00 C ATOM 553 CE LYS A 36 -3.952 -10.477 14.754 1.00 1.00 C ATOM 554 NZ LYS A 36 -5.260 -9.829 15.050 1.00 1.00 N ATOM 0 H LYS A 36 -3.956 -8.351 8.536 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.735 -11.011 9.691 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.774 -9.878 10.780 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.770 -8.469 11.083 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.329 -9.838 12.495 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.410 -11.288 12.139 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.394 -10.318 13.253 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.251 -8.818 13.545 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.080 -11.555 14.660 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.256 -10.309 15.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -5.202 -9.331 15.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -5.489 -9.149 14.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -6.004 -10.554 15.099 1.00 1.00 H new ATOM 568 N PRO A 37 -7.119 -9.959 9.316 1.00 1.00 N ATOM 569 CA PRO A 37 -8.546 -9.491 9.471 1.00 1.00 C ATOM 570 C PRO A 37 -9.225 -10.074 10.716 1.00 1.00 C ATOM 571 O PRO A 37 -10.434 -9.919 10.890 1.00 1.00 O ATOM 572 CB PRO A 37 -9.202 -10.001 8.171 1.00 1.00 C ATOM 573 CG PRO A 37 -8.547 -11.337 7.973 1.00 1.00 C ATOM 574 CD PRO A 37 -7.060 -11.099 8.346 1.00 1.00 C ATOM 0 HA PRO A 37 -8.627 -8.413 9.612 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -10.284 -10.091 8.272 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -9.015 -9.330 7.333 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.999 -12.099 8.609 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.648 -11.680 6.943 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.612 -11.985 8.796 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.462 -10.849 7.470 1.00 1.00 H new ATOM 582 N ASP A 38 -8.455 -10.726 11.581 1.00 1.00 N ATOM 583 CA ASP A 38 -8.994 -11.333 12.805 1.00 1.00 C ATOM 584 C ASP A 38 -9.456 -10.256 13.788 1.00 1.00 C ATOM 585 O ASP A 38 -10.008 -10.565 14.845 1.00 1.00 O ATOM 586 CB ASP A 38 -7.911 -12.227 13.453 1.00 1.00 C ATOM 587 CG ASP A 38 -8.461 -12.969 14.680 1.00 1.00 C ATOM 588 OD1 ASP A 38 -9.438 -13.685 14.525 1.00 1.00 O ATOM 589 OD2 ASP A 38 -7.895 -12.816 15.752 1.00 1.00 O ATOM 0 H ASP A 38 -7.450 -10.851 11.461 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.860 -11.943 12.547 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -7.547 -12.949 12.722 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -7.059 -11.614 13.748 1.00 1.00 H new ATOM 594 N ALA A 39 -9.226 -8.990 13.451 1.00 1.00 N ATOM 595 CA ALA A 39 -9.626 -7.862 14.320 1.00 1.00 C ATOM 596 C ALA A 39 -9.942 -6.602 13.500 1.00 1.00 C ATOM 597 O ALA A 39 -9.515 -6.444 12.356 1.00 1.00 O ATOM 598 CB ALA A 39 -8.495 -7.572 15.319 1.00 1.00 C ATOM 0 H ALA A 39 -8.766 -8.709 12.585 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.534 -8.141 14.854 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -8.783 -6.741 15.963 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.312 -8.457 15.928 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.587 -7.312 14.775 1.00 1.00 H new ATOM 604 N THR A 40 -10.697 -5.691 14.106 1.00 1.00 N ATOM 605 CA THR A 40 -11.102 -4.417 13.448 1.00 1.00 C ATOM 606 C THR A 40 -11.148 -3.233 14.478 1.00 1.00 C ATOM 607 O THR A 40 -11.999 -3.268 15.367 1.00 1.00 O ATOM 608 CB THR A 40 -12.511 -4.594 12.832 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.438 -4.863 13.872 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.520 -5.763 11.815 1.00 1.00 C ATOM 0 H THR A 40 -11.051 -5.797 15.057 1.00 1.00 H new ATOM 0 HA THR A 40 -10.367 -4.180 12.678 1.00 1.00 H new ATOM 0 HB THR A 40 -12.788 -3.679 12.309 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.293 -4.235 14.610 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.519 -5.871 11.393 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.809 -5.555 11.015 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.238 -6.687 12.320 1.00 1.00 H new ATOM 618 N PRO A 41 -10.306 -2.240 14.388 1.00 1.00 N ATOM 619 CA PRO A 41 -9.206 -2.034 13.370 1.00 1.00 C ATOM 620 C PRO A 41 -8.100 -3.064 13.561 1.00 1.00 C ATOM 621 O PRO A 41 -8.141 -3.895 14.468 1.00 1.00 O ATOM 622 CB PRO A 41 -8.687 -0.574 13.652 1.00 1.00 C ATOM 623 CG PRO A 41 -9.780 0.052 14.472 1.00 1.00 C ATOM 624 CD PRO A 41 -10.297 -1.098 15.341 1.00 1.00 C ATOM 0 HA PRO A 41 -9.551 -2.155 12.343 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.740 -0.585 14.192 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -8.519 -0.025 12.726 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -9.402 0.873 15.081 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -10.569 0.461 13.840 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -9.646 -1.286 16.195 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.291 -0.892 15.738 1.00 1.00 H new ATOM 632 N VAL A 42 -7.086 -2.995 12.704 1.00 1.00 N ATOM 633 CA VAL A 42 -5.957 -3.934 12.799 1.00 1.00 C ATOM 634 C VAL A 42 -4.806 -3.483 11.915 1.00 1.00 C ATOM 635 O VAL A 42 -4.916 -2.491 11.193 1.00 1.00 O ATOM 636 CB VAL A 42 -6.438 -5.365 12.414 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.891 -5.400 10.914 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.314 -6.428 12.695 1.00 1.00 C ATOM 0 H VAL A 42 -7.016 -2.315 11.947 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.591 -3.953 13.826 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.296 -5.622 13.035 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.225 -6.406 10.658 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.710 -4.697 10.765 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -6.053 -5.122 10.274 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.673 -7.419 12.418 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.429 -6.186 12.107 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -5.060 -6.417 13.755 1.00 1.00 H new ATOM 648 N GLU A 43 -3.681 -4.190 11.983 1.00 1.00 N ATOM 649 CA GLU A 43 -2.471 -3.912 11.202 1.00 1.00 C ATOM 650 C GLU A 43 -2.446 -4.828 9.952 1.00 1.00 C ATOM 651 O GLU A 43 -3.125 -5.849 9.850 1.00 1.00 O ATOM 652 CB GLU A 43 -1.171 -4.126 12.086 1.00 1.00 C ATOM 653 CG GLU A 43 -1.471 -4.999 13.332 1.00 1.00 C ATOM 654 CD GLU A 43 -0.211 -5.222 14.169 1.00 1.00 C ATOM 655 OE1 GLU A 43 0.646 -4.355 14.164 1.00 1.00 O ATOM 656 OE2 GLU A 43 -0.136 -6.250 14.823 1.00 1.00 O ATOM 0 H GLU A 43 -3.579 -4.996 12.600 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.483 -2.871 10.880 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.395 -4.601 11.486 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -0.781 -3.159 12.403 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.235 -4.516 13.942 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.876 -5.961 13.016 1.00 1.00 H new ATOM 663 N TYR A 44 -1.623 -4.431 8.987 1.00 1.00 N ATOM 664 CA TYR A 44 -1.461 -5.162 7.721 1.00 1.00 C ATOM 665 C TYR A 44 0.023 -5.284 7.356 1.00 1.00 C ATOM 666 O TYR A 44 0.874 -4.487 7.755 1.00 1.00 O ATOM 667 CB TYR A 44 -2.237 -4.433 6.600 1.00 1.00 C ATOM 668 CG TYR A 44 -3.725 -4.372 6.988 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.181 -3.383 7.884 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.643 -5.316 6.480 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.534 -3.343 8.256 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.990 -5.268 6.860 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.434 -4.284 7.747 1.00 1.00 C ATOM 674 OH TYR A 44 -7.762 -4.245 8.122 1.00 1.00 O ATOM 0 H TYR A 44 -1.046 -3.593 9.054 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.864 -6.168 7.837 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.842 -3.427 6.460 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -2.115 -4.958 5.653 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.489 -2.656 8.284 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.305 -6.079 5.795 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.881 -2.582 8.939 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.687 -5.993 6.467 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.322 -4.116 7.328 1.00 1.00 H new ATOM 684 N TYR A 45 0.311 -6.314 6.568 1.00 1.00 N ATOM 685 CA TYR A 45 1.703 -6.596 6.129 1.00 1.00 C ATOM 686 C TYR A 45 1.954 -5.988 4.739 1.00 1.00 C ATOM 687 O TYR A 45 1.599 -6.551 3.705 1.00 1.00 O ATOM 688 CB TYR A 45 1.961 -8.139 6.142 1.00 1.00 C ATOM 689 CG TYR A 45 3.421 -8.481 6.542 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.501 -7.857 5.891 1.00 1.00 C ATOM 691 CD2 TYR A 45 3.691 -9.423 7.555 1.00 1.00 C ATOM 692 CE1 TYR A 45 5.819 -8.173 6.254 1.00 1.00 C ATOM 693 CE2 TYR A 45 5.012 -9.730 7.909 1.00 1.00 C ATOM 694 CZ TYR A 45 6.071 -9.103 7.257 1.00 1.00 C ATOM 695 OH TYR A 45 7.375 -9.399 7.601 1.00 1.00 O ATOM 0 H TYR A 45 -0.384 -6.972 6.214 1.00 1.00 H new ATOM 0 HA TYR A 45 2.405 -6.133 6.822 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.273 -8.616 6.840 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.750 -8.550 5.155 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.315 -7.134 5.111 1.00 1.00 H new ATOM 0 HD2 TYR A 45 2.873 -9.912 8.063 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.644 -7.691 5.751 1.00 1.00 H new ATOM 0 HE2 TYR A 45 5.209 -10.453 8.687 1.00 1.00 H new ATOM 0 HH TYR A 45 7.381 -10.066 8.319 1.00 1.00 H new ATOM 705 N ILE A 46 2.593 -4.823 4.750 1.00 1.00 N ATOM 706 CA ILE A 46 2.933 -4.072 3.516 1.00 1.00 C ATOM 707 C ILE A 46 4.456 -4.087 3.288 1.00 1.00 C ATOM 708 O ILE A 46 5.254 -4.078 4.224 1.00 1.00 O ATOM 709 CB ILE A 46 2.428 -2.603 3.643 1.00 1.00 C ATOM 710 CG1 ILE A 46 0.926 -2.581 4.075 1.00 1.00 C ATOM 711 CG2 ILE A 46 2.615 -1.836 2.308 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.006 -3.347 3.101 1.00 1.00 C ATOM 0 H ILE A 46 2.896 -4.361 5.607 1.00 1.00 H new ATOM 0 HA ILE A 46 2.447 -4.547 2.664 1.00 1.00 H new ATOM 0 HB ILE A 46 3.022 -2.104 4.409 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.834 -3.015 5.070 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.589 -1.547 4.146 1.00 1.00 H new ATOM 0 HG21 ILE A 46 2.255 -0.813 2.422 1.00 1.00 H new ATOM 0 HG22 ILE A 46 3.672 -1.821 2.042 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.050 -2.334 1.520 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -1.023 -3.295 3.456 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.071 -2.898 2.110 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.319 -4.390 3.048 1.00 1.00 H new ATOM 724 N HIS A 47 4.852 -4.102 2.019 1.00 1.00 N ATOM 725 CA HIS A 47 6.273 -4.103 1.607 1.00 1.00 C ATOM 726 C HIS A 47 6.542 -2.910 0.696 1.00 1.00 C ATOM 727 O HIS A 47 5.835 -2.661 -0.280 1.00 1.00 O ATOM 728 CB HIS A 47 6.602 -5.413 0.865 1.00 1.00 C ATOM 729 CG HIS A 47 6.487 -6.559 1.825 1.00 1.00 C ATOM 730 ND1 HIS A 47 7.593 -7.271 2.253 1.00 1.00 N ATOM 731 CD2 HIS A 47 5.416 -7.080 2.492 1.00 1.00 C ATOM 732 CE1 HIS A 47 7.165 -8.176 3.146 1.00 1.00 C ATOM 733 NE2 HIS A 47 5.847 -8.102 3.328 1.00 1.00 N ATOM 0 H HIS A 47 4.201 -4.114 1.234 1.00 1.00 H new ATOM 0 HA HIS A 47 6.904 -4.029 2.493 1.00 1.00 H new ATOM 0 HB2 HIS A 47 5.919 -5.553 0.027 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.609 -5.368 0.451 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.393 -6.749 2.386 1.00 1.00 H new ATOM 0 HE1 HIS A 47 7.809 -8.878 3.655 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.276 -8.675 3.950 1.00 1.00 H new ATOM 742 N TYR A 48 7.591 -2.161 1.017 1.00 1.00 N ATOM 743 CA TYR A 48 7.969 -0.974 0.236 1.00 1.00 C ATOM 744 C TYR A 48 8.826 -1.395 -0.969 1.00 1.00 C ATOM 745 O TYR A 48 9.877 -2.019 -0.826 1.00 1.00 O ATOM 746 CB TYR A 48 8.736 0.043 1.160 1.00 1.00 C ATOM 747 CG TYR A 48 8.327 1.491 0.813 1.00 1.00 C ATOM 748 CD1 TYR A 48 8.933 2.156 -0.268 1.00 1.00 C ATOM 749 CD2 TYR A 48 7.319 2.149 1.551 1.00 1.00 C ATOM 750 CE1 TYR A 48 8.540 3.460 -0.603 1.00 1.00 C ATOM 751 CE2 TYR A 48 6.934 3.453 1.211 1.00 1.00 C ATOM 752 CZ TYR A 48 7.542 4.105 0.134 1.00 1.00 C ATOM 753 OH TYR A 48 7.151 5.384 -0.202 1.00 1.00 O ATOM 0 H TYR A 48 8.200 -2.350 1.813 1.00 1.00 H new ATOM 0 HA TYR A 48 7.075 -0.480 -0.144 1.00 1.00 H new ATOM 0 HB2 TYR A 48 8.512 -0.165 2.206 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.812 -0.079 1.033 1.00 1.00 H new ATOM 0 HD1 TYR A 48 9.703 1.661 -0.842 1.00 1.00 H new ATOM 0 HD2 TYR A 48 6.843 1.646 2.380 1.00 1.00 H new ATOM 0 HE1 TYR A 48 9.010 3.967 -1.433 1.00 1.00 H new ATOM 0 HE2 TYR A 48 6.167 3.955 1.782 1.00 1.00 H new ATOM 0 HH TYR A 48 7.341 5.546 -1.150 1.00 1.00 H new ATOM 763 N ALA A 49 8.365 -1.048 -2.166 1.00 1.00 N ATOM 764 CA ALA A 49 9.078 -1.389 -3.397 1.00 1.00 C ATOM 765 C ALA A 49 10.436 -0.677 -3.456 1.00 1.00 C ATOM 766 O ALA A 49 10.593 0.440 -2.962 1.00 1.00 O ATOM 767 CB ALA A 49 8.219 -0.989 -4.606 1.00 1.00 C ATOM 0 H ALA A 49 7.499 -0.530 -2.312 1.00 1.00 H new ATOM 0 HA ALA A 49 9.259 -2.464 -3.415 1.00 1.00 H new ATOM 0 HB1 ALA A 49 8.746 -1.241 -5.526 1.00 1.00 H new ATOM 0 HB2 ALA A 49 7.271 -1.526 -4.572 1.00 1.00 H new ATOM 0 HB3 ALA A 49 8.030 0.084 -4.579 1.00 1.00 H new ATOM 773 N GLY A 50 11.419 -1.324 -4.075 1.00 1.00 N ATOM 774 CA GLY A 50 12.776 -0.765 -4.216 1.00 1.00 C ATOM 775 C GLY A 50 13.655 -1.117 -3.017 1.00 1.00 C ATOM 776 O GLY A 50 14.794 -0.662 -2.917 1.00 1.00 O ATOM 0 H GLY A 50 11.307 -2.247 -4.494 1.00 1.00 H new ATOM 0 HA2 GLY A 50 13.234 -1.146 -5.129 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.715 0.319 -4.318 1.00 1.00 H new ATOM 780 N TRP A 51 13.131 -1.938 -2.112 1.00 1.00 N ATOM 781 CA TRP A 51 13.880 -2.358 -0.903 1.00 1.00 C ATOM 782 C TRP A 51 13.575 -3.814 -0.552 1.00 1.00 C ATOM 783 O TRP A 51 12.587 -4.400 -0.994 1.00 1.00 O ATOM 784 CB TRP A 51 13.498 -1.441 0.278 1.00 1.00 C ATOM 785 CG TRP A 51 13.871 -0.017 -0.049 1.00 1.00 C ATOM 786 CD1 TRP A 51 13.043 0.911 -0.592 1.00 1.00 C ATOM 787 CD2 TRP A 51 15.160 0.644 0.129 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.742 2.093 -0.754 1.00 1.00 N ATOM 789 CE2 TRP A 51 15.049 1.979 -0.325 1.00 1.00 C ATOM 790 CE3 TRP A 51 16.400 0.216 0.636 1.00 1.00 C ATOM 791 CZ2 TRP A 51 16.131 2.861 -0.277 1.00 1.00 C ATOM 792 CZ3 TRP A 51 17.493 1.100 0.686 1.00 1.00 C ATOM 793 CH2 TRP A 51 17.357 2.420 0.229 1.00 1.00 C ATOM 0 H TRP A 51 12.193 -2.332 -2.181 1.00 1.00 H new ATOM 0 HA TRP A 51 14.948 -2.274 -1.104 1.00 1.00 H new ATOM 0 HB2 TRP A 51 12.428 -1.512 0.476 1.00 1.00 H new ATOM 0 HB3 TRP A 51 14.012 -1.764 1.184 1.00 1.00 H new ATOM 0 HD1 TRP A 51 12.008 0.752 -0.855 1.00 1.00 H new ATOM 0 HE1 TRP A 51 13.340 2.946 -1.143 1.00 1.00 H new ATOM 0 HE3 TRP A 51 16.514 -0.798 0.989 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 16.021 3.876 -0.628 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.441 0.762 1.078 1.00 1.00 H new ATOM 0 HH2 TRP A 51 18.199 3.095 0.268 1.00 1.00 H new ATOM 804 N SER A 52 14.449 -4.406 0.258 1.00 1.00 N ATOM 805 CA SER A 52 14.292 -5.801 0.684 1.00 1.00 C ATOM 806 C SER A 52 13.036 -5.960 1.544 1.00 1.00 C ATOM 807 O SER A 52 12.445 -4.979 1.996 1.00 1.00 O ATOM 808 CB SER A 52 15.533 -6.238 1.476 1.00 1.00 C ATOM 809 OG SER A 52 16.680 -6.125 0.643 1.00 1.00 O ATOM 0 H SER A 52 15.276 -3.943 0.635 1.00 1.00 H new ATOM 0 HA SER A 52 14.186 -6.432 -0.199 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.650 -5.617 2.364 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.417 -7.266 1.819 1.00 1.00 H new ATOM 0 HG SER A 52 17.476 -6.401 1.143 1.00 1.00 H new ATOM 815 N LYS A 53 12.632 -7.206 1.768 1.00 1.00 N ATOM 816 CA LYS A 53 11.438 -7.524 2.570 1.00 1.00 C ATOM 817 C LYS A 53 11.760 -7.511 4.067 1.00 1.00 C ATOM 818 O LYS A 53 10.855 -7.567 4.898 1.00 1.00 O ATOM 819 CB LYS A 53 10.897 -8.911 2.153 1.00 1.00 C ATOM 820 CG LYS A 53 10.428 -8.876 0.679 1.00 1.00 C ATOM 821 CD LYS A 53 9.864 -10.251 0.260 1.00 1.00 C ATOM 822 CE LYS A 53 9.396 -10.206 -1.207 1.00 1.00 C ATOM 823 NZ LYS A 53 8.840 -11.533 -1.589 1.00 1.00 N ATOM 0 H LYS A 53 13.116 -8.027 1.404 1.00 1.00 H new ATOM 0 HA LYS A 53 10.679 -6.763 2.385 1.00 1.00 H new ATOM 0 HB2 LYS A 53 11.673 -9.666 2.278 1.00 1.00 H new ATOM 0 HB3 LYS A 53 10.068 -9.196 2.800 1.00 1.00 H new ATOM 0 HG2 LYS A 53 9.664 -8.109 0.552 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.262 -8.606 0.032 1.00 1.00 H new ATOM 0 HD2 LYS A 53 10.628 -11.019 0.383 1.00 1.00 H new ATOM 0 HD3 LYS A 53 9.031 -10.524 0.908 1.00 1.00 H new ATOM 0 HE2 LYS A 53 8.640 -9.432 -1.335 1.00 1.00 H new ATOM 0 HE3 LYS A 53 10.231 -9.948 -1.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 8.523 -11.505 -2.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 9.575 -12.261 -1.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 8.033 -11.761 -0.974 1.00 1.00 H new ATOM 837 N ASN A 54 13.039 -7.440 4.421 1.00 1.00 N ATOM 838 CA ASN A 54 13.464 -7.423 5.826 1.00 1.00 C ATOM 839 C ASN A 54 12.995 -6.142 6.518 1.00 1.00 C ATOM 840 O ASN A 54 12.968 -6.061 7.745 1.00 1.00 O ATOM 841 CB ASN A 54 14.998 -7.536 5.904 1.00 1.00 C ATOM 842 CG ASN A 54 15.469 -8.804 5.189 1.00 1.00 C ATOM 843 OD1 ASN A 54 14.934 -9.886 5.433 1.00 1.00 O ATOM 844 ND2 ASN A 54 16.445 -8.735 4.324 1.00 1.00 N ATOM 0 H ASN A 54 13.808 -7.393 3.753 1.00 1.00 H new ATOM 0 HA ASN A 54 13.013 -8.272 6.339 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.459 -6.660 5.448 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.316 -7.557 6.946 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.766 -9.579 3.849 1.00 1.00 H new ATOM 0 HD22 ASN A 54 16.886 -7.838 4.124 1.00 1.00 H new ATOM 851 N TRP A 55 12.626 -5.141 5.726 1.00 1.00 N ATOM 852 CA TRP A 55 12.154 -3.857 6.253 1.00 1.00 C ATOM 853 C TRP A 55 10.810 -4.054 6.960 1.00 1.00 C ATOM 854 O TRP A 55 10.512 -3.370 7.939 1.00 1.00 O ATOM 855 CB TRP A 55 12.008 -2.842 5.090 1.00 1.00 C ATOM 856 CG TRP A 55 13.363 -2.459 4.559 1.00 1.00 C ATOM 857 CD1 TRP A 55 14.233 -3.303 3.959 1.00 1.00 C ATOM 858 CD2 TRP A 55 14.010 -1.151 4.575 1.00 1.00 C ATOM 859 NE1 TRP A 55 15.371 -2.601 3.608 1.00 1.00 N ATOM 860 CE2 TRP A 55 15.281 -1.270 3.964 1.00 1.00 C ATOM 861 CE3 TRP A 55 13.622 0.115 5.053 1.00 1.00 C ATOM 862 CZ2 TRP A 55 16.137 -0.177 3.833 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.481 1.220 4.922 1.00 1.00 C ATOM 864 CH2 TRP A 55 15.735 1.074 4.313 1.00 1.00 C ATOM 0 H TRP A 55 12.644 -5.191 4.707 1.00 1.00 H new ATOM 0 HA TRP A 55 12.875 -3.469 6.972 1.00 1.00 H new ATOM 0 HB2 TRP A 55 11.407 -3.277 4.292 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.481 -1.953 5.438 1.00 1.00 H new ATOM 0 HD1 TRP A 55 14.066 -4.355 3.783 1.00 1.00 H new ATOM 0 HE1 TRP A 55 16.179 -3.016 3.143 1.00 1.00 H new ATOM 0 HE3 TRP A 55 12.658 0.238 5.524 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 17.103 -0.295 3.365 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 14.173 2.187 5.293 1.00 1.00 H new ATOM 0 HH2 TRP A 55 16.390 1.927 4.214 1.00 1.00 H new ATOM 875 N ASP A 56 10.006 -4.983 6.457 1.00 1.00 N ATOM 876 CA ASP A 56 8.682 -5.305 7.020 1.00 1.00 C ATOM 877 C ASP A 56 7.889 -4.057 7.436 1.00 1.00 C ATOM 878 O ASP A 56 7.763 -3.743 8.619 1.00 1.00 O ATOM 879 CB ASP A 56 8.838 -6.276 8.211 1.00 1.00 C ATOM 880 CG ASP A 56 9.651 -5.630 9.335 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.867 -5.639 9.241 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.045 -5.138 10.275 1.00 1.00 O ATOM 0 H ASP A 56 10.248 -5.544 5.640 1.00 1.00 H new ATOM 0 HA ASP A 56 8.105 -5.786 6.231 1.00 1.00 H new ATOM 0 HB2 ASP A 56 7.855 -6.561 8.585 1.00 1.00 H new ATOM 0 HB3 ASP A 56 9.330 -7.190 7.879 1.00 1.00 H new ATOM 887 N GLU A 57 7.341 -3.334 6.464 1.00 1.00 N ATOM 888 CA GLU A 57 6.577 -2.117 6.745 1.00 1.00 C ATOM 889 C GLU A 57 5.169 -2.477 7.232 1.00 1.00 C ATOM 890 O GLU A 57 4.241 -2.635 6.438 1.00 1.00 O ATOM 891 CB GLU A 57 6.528 -1.249 5.461 1.00 1.00 C ATOM 892 CG GLU A 57 5.881 0.140 5.721 1.00 1.00 C ATOM 893 CD GLU A 57 6.738 0.991 6.664 1.00 1.00 C ATOM 894 OE1 GLU A 57 7.934 0.749 6.736 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.184 1.869 7.304 1.00 1.00 O ATOM 0 H GLU A 57 7.410 -3.568 5.474 1.00 1.00 H new ATOM 0 HA GLU A 57 7.060 -1.546 7.537 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.539 -1.112 5.077 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.963 -1.773 4.690 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.750 0.664 4.774 1.00 1.00 H new ATOM 0 HG3 GLU A 57 4.889 0.005 6.151 1.00 1.00 H new ATOM 902 N TRP A 58 5.001 -2.578 8.547 1.00 1.00 N ATOM 903 CA TRP A 58 3.701 -2.899 9.169 1.00 1.00 C ATOM 904 C TRP A 58 2.952 -1.579 9.432 1.00 1.00 C ATOM 905 O TRP A 58 3.423 -0.724 10.182 1.00 1.00 O ATOM 906 CB TRP A 58 3.946 -3.675 10.513 1.00 1.00 C ATOM 907 CG TRP A 58 4.061 -5.165 10.280 1.00 1.00 C ATOM 908 CD1 TRP A 58 4.947 -5.761 9.451 1.00 1.00 C ATOM 909 CD2 TRP A 58 3.272 -6.241 10.876 1.00 1.00 C ATOM 910 NE1 TRP A 58 4.756 -7.133 9.501 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.733 -7.479 10.365 1.00 1.00 C ATOM 912 CE3 TRP A 58 2.214 -6.262 11.799 1.00 1.00 C ATOM 913 CZ2 TRP A 58 3.162 -8.695 10.759 1.00 1.00 C ATOM 914 CZ3 TRP A 58 1.635 -7.480 12.195 1.00 1.00 C ATOM 915 CH2 TRP A 58 2.109 -8.692 11.678 1.00 1.00 C ATOM 0 H TRP A 58 5.756 -2.441 9.219 1.00 1.00 H new ATOM 0 HA TRP A 58 3.103 -3.530 8.511 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.857 -3.308 10.985 1.00 1.00 H new ATOM 0 HB3 TRP A 58 3.127 -3.476 11.204 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.684 -5.251 8.848 1.00 1.00 H new ATOM 0 HE1 TRP A 58 5.304 -7.806 8.965 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.842 -5.334 12.208 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 3.532 -9.627 10.357 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 0.819 -7.481 12.903 1.00 1.00 H new ATOM 0 HH2 TRP A 58 1.661 -9.624 11.989 1.00 1.00 H new ATOM 926 N VAL A 59 1.777 -1.414 8.832 1.00 1.00 N ATOM 927 CA VAL A 59 0.991 -0.153 9.011 1.00 1.00 C ATOM 928 C VAL A 59 -0.554 -0.398 8.975 1.00 1.00 C ATOM 929 O VAL A 59 -1.001 -1.344 8.329 1.00 1.00 O ATOM 930 CB VAL A 59 1.396 0.870 7.884 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.795 1.491 8.146 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.387 0.163 6.505 1.00 1.00 C ATOM 0 H VAL A 59 1.338 -2.108 8.227 1.00 1.00 H new ATOM 0 HA VAL A 59 1.227 0.249 9.997 1.00 1.00 H new ATOM 0 HB VAL A 59 0.665 1.679 7.890 1.00 1.00 H new ATOM 0 HG11 VAL A 59 3.038 2.191 7.347 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.786 2.018 9.100 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.544 0.700 8.176 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.668 0.875 5.729 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.099 -0.662 6.515 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.388 -0.222 6.300 1.00 1.00 H new ATOM 942 N PRO A 60 -1.330 0.426 9.624 1.00 1.00 N ATOM 943 CA PRO A 60 -2.838 0.265 9.623 1.00 1.00 C ATOM 944 C PRO A 60 -3.455 0.599 8.256 1.00 1.00 C ATOM 945 O PRO A 60 -2.839 1.235 7.401 1.00 1.00 O ATOM 946 CB PRO A 60 -3.308 1.257 10.726 1.00 1.00 C ATOM 947 CG PRO A 60 -2.291 2.355 10.649 1.00 1.00 C ATOM 948 CD PRO A 60 -0.951 1.618 10.456 1.00 1.00 C ATOM 0 HA PRO A 60 -3.149 -0.762 9.816 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -4.315 1.626 10.534 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.322 0.789 11.710 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.497 3.031 9.819 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -2.287 2.958 11.557 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -0.216 2.245 9.950 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -0.514 1.321 11.409 1.00 1.00 H new ATOM 956 N GLU A 61 -4.697 0.167 8.058 1.00 1.00 N ATOM 957 CA GLU A 61 -5.422 0.403 6.797 1.00 1.00 C ATOM 958 C GLU A 61 -5.394 1.890 6.408 1.00 1.00 C ATOM 959 O GLU A 61 -5.524 2.246 5.238 1.00 1.00 O ATOM 960 CB GLU A 61 -6.886 -0.082 6.950 1.00 1.00 C ATOM 961 CG GLU A 61 -7.655 0.007 5.610 1.00 1.00 C ATOM 962 CD GLU A 61 -9.080 -0.534 5.773 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.912 0.193 6.290 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.315 -1.666 5.378 1.00 1.00 O ATOM 0 H GLU A 61 -5.232 -0.352 8.754 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.930 -0.157 6.002 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -6.894 -1.112 7.308 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.394 0.521 7.703 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.689 1.043 5.271 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.129 -0.562 4.843 1.00 1.00 H new ATOM 971 N ASN A 62 -5.221 2.759 7.398 1.00 1.00 N ATOM 972 CA ASN A 62 -5.190 4.208 7.162 1.00 1.00 C ATOM 973 C ASN A 62 -4.080 4.601 6.175 1.00 1.00 C ATOM 974 O ASN A 62 -4.286 5.467 5.324 1.00 1.00 O ATOM 975 CB ASN A 62 -4.989 4.955 8.496 1.00 1.00 C ATOM 976 CG ASN A 62 -6.077 4.557 9.492 1.00 1.00 C ATOM 977 OD1 ASN A 62 -7.235 4.387 9.111 1.00 1.00 O ATOM 978 ND2 ASN A 62 -5.770 4.397 10.752 1.00 1.00 N ATOM 0 H ASN A 62 -5.099 2.490 8.374 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.146 4.491 6.721 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -4.007 4.722 8.907 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -5.017 6.031 8.326 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -6.491 4.131 11.423 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -4.810 4.539 11.065 1.00 1.00 H new ATOM 985 N ARG A 63 -2.911 3.974 6.275 1.00 1.00 N ATOM 986 CA ARG A 63 -1.775 4.280 5.375 1.00 1.00 C ATOM 987 C ARG A 63 -1.867 3.456 4.079 1.00 1.00 C ATOM 988 O ARG A 63 -1.036 3.611 3.185 1.00 1.00 O ATOM 989 CB ARG A 63 -0.422 3.976 6.100 1.00 1.00 C ATOM 990 CG ARG A 63 0.783 4.804 5.491 1.00 1.00 C ATOM 991 CD ARG A 63 0.931 6.173 6.193 1.00 1.00 C ATOM 992 NE ARG A 63 1.307 5.962 7.596 1.00 1.00 N ATOM 993 CZ ARG A 63 1.351 6.959 8.491 1.00 1.00 C ATOM 994 NH1 ARG A 63 1.012 8.177 8.157 1.00 1.00 N ATOM 995 NH2 ARG A 63 1.728 6.708 9.716 1.00 1.00 N ATOM 0 H ARG A 63 -2.714 3.250 6.966 1.00 1.00 H new ATOM 0 HA ARG A 63 -1.818 5.338 5.117 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.520 4.207 7.161 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -0.203 2.911 6.025 1.00 1.00 H new ATOM 0 HG2 ARG A 63 1.708 4.236 5.596 1.00 1.00 H new ATOM 0 HG3 ARG A 63 0.621 4.955 4.424 1.00 1.00 H new ATOM 0 HD2 ARG A 63 1.688 6.773 5.688 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -0.006 6.727 6.135 1.00 1.00 H new ATOM 0 HE ARG A 63 1.544 5.019 7.902 1.00 1.00 H new ATOM 0 HH11 ARG A 63 0.709 8.379 7.204 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.051 8.925 8.849 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.986 5.759 9.986 1.00 1.00 H new ATOM 0 HH22 ARG A 63 1.764 7.461 10.403 1.00 1.00 H new ATOM 1009 N VAL A 64 -2.867 2.587 3.972 1.00 1.00 N ATOM 1010 CA VAL A 64 -3.046 1.729 2.774 1.00 1.00 C ATOM 1011 C VAL A 64 -4.054 2.371 1.813 1.00 1.00 C ATOM 1012 O VAL A 64 -5.181 2.707 2.180 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.537 0.313 3.200 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -3.614 -0.633 1.968 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -2.555 -0.279 4.240 1.00 1.00 C ATOM 0 H VAL A 64 -3.574 2.448 4.694 1.00 1.00 H new ATOM 0 HA VAL A 64 -2.088 1.630 2.264 1.00 1.00 H new ATOM 0 HB VAL A 64 -4.532 0.404 3.635 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.959 -1.617 2.286 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -4.311 -0.223 1.237 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -2.626 -0.723 1.516 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -2.896 -1.270 4.540 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -1.561 -0.355 3.799 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -2.515 0.371 5.114 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.645 2.536 0.560 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.518 3.132 -0.484 1.00 1.00 C ATOM 1027 C LEU A 65 -4.872 2.075 -1.533 1.00 1.00 C ATOM 1028 O LEU A 65 -4.014 1.342 -2.027 1.00 1.00 O ATOM 1029 CB LEU A 65 -3.798 4.333 -1.147 1.00 1.00 C ATOM 1030 CG LEU A 65 -4.693 5.065 -2.213 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -6.012 5.635 -1.595 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -3.872 6.217 -2.849 1.00 1.00 C ATOM 0 H LEU A 65 -2.718 2.271 0.228 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.440 3.487 -0.023 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -3.503 5.045 -0.376 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -2.883 3.984 -1.625 1.00 1.00 H new ATOM 0 HG LEU A 65 -4.984 4.334 -2.968 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -6.594 6.130 -2.372 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.596 4.819 -1.169 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -5.767 6.353 -0.812 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -4.482 6.733 -3.590 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -3.572 6.921 -2.073 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -2.984 5.808 -3.331 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.150 2.017 -1.893 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.629 1.055 -2.887 1.00 1.00 C ATOM 1046 C LYS A 66 -6.043 1.366 -4.263 1.00 1.00 C ATOM 1047 O LYS A 66 -5.861 2.532 -4.616 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.180 1.088 -2.936 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.701 2.539 -3.151 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.269 2.561 -3.296 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.702 2.306 -4.760 1.00 1.00 C ATOM 1052 NZ LYS A 66 -10.180 3.406 -5.617 1.00 1.00 N ATOM 0 H LYS A 66 -6.876 2.624 -1.512 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.302 0.056 -2.600 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.536 0.447 -3.743 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.585 0.686 -2.007 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.401 3.165 -2.310 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.244 2.965 -4.044 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.707 1.802 -2.648 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.654 3.525 -2.963 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.318 1.346 -5.104 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -11.789 2.258 -4.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -10.734 3.454 -6.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -10.259 4.310 -5.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -9.182 3.224 -5.846 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.764 0.325 -5.040 1.00 1.00 N ATOM 1067 CA TYR A 67 -5.208 0.499 -6.388 1.00 1.00 C ATOM 1068 C TYR A 67 -6.348 0.745 -7.379 1.00 1.00 C ATOM 1069 O TYR A 67 -7.241 -0.087 -7.547 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.405 -0.762 -6.788 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.710 -0.542 -8.146 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -4.369 -0.869 -9.347 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -2.413 0.008 -8.199 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -3.737 -0.651 -10.581 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -1.784 0.222 -9.436 1.00 1.00 C ATOM 1076 CZ TYR A 67 -2.447 -0.107 -10.624 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.830 0.110 -11.841 1.00 1.00 O ATOM 0 H TYR A 67 -5.911 -0.647 -4.766 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.536 1.357 -6.401 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.662 -0.987 -6.023 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -5.071 -1.623 -6.847 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -5.364 -1.289 -9.318 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.901 0.266 -7.284 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.246 -0.903 -11.499 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -0.789 0.640 -9.471 1.00 1.00 H new ATOM 0 HH TYR A 67 -0.940 0.493 -11.693 1.00 1.00 H new ATOM 1087 N ASN A 68 -6.309 1.892 -8.049 1.00 1.00 N ATOM 1088 CA ASN A 68 -7.348 2.246 -9.028 1.00 1.00 C ATOM 1089 C ASN A 68 -6.800 3.228 -10.060 1.00 1.00 C ATOM 1090 O ASN A 68 -5.900 4.018 -9.766 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.558 2.858 -8.292 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.725 3.079 -9.259 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.610 3.863 -10.202 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -10.841 2.428 -9.081 1.00 1.00 N ATOM 0 H ASN A 68 -5.577 2.593 -7.938 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.665 1.345 -9.554 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.870 2.198 -7.483 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -8.272 3.806 -7.837 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -11.621 2.568 -9.723 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -10.934 1.779 -8.299 1.00 1.00 H new ATOM 1101 N ASP A 69 -7.354 3.168 -11.265 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.919 4.053 -12.352 1.00 1.00 C ATOM 1103 C ASP A 69 -6.874 5.524 -11.904 1.00 1.00 C ATOM 1104 O ASP A 69 -6.040 6.290 -12.385 1.00 1.00 O ATOM 1105 CB ASP A 69 -7.868 3.904 -13.551 1.00 1.00 C ATOM 1106 CG ASP A 69 -7.971 2.432 -13.953 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -6.957 1.754 -13.905 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -9.059 2.008 -14.306 1.00 1.00 O ATOM 0 H ASP A 69 -8.101 2.522 -11.519 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.909 3.761 -12.639 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -8.855 4.290 -13.295 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -7.502 4.495 -14.391 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.753 5.913 -10.988 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.791 7.293 -10.484 1.00 1.00 C ATOM 1115 C ASP A 70 -6.593 7.550 -9.574 1.00 1.00 C ATOM 1116 O ASP A 70 -5.971 8.609 -9.651 1.00 1.00 O ATOM 1117 CB ASP A 70 -9.111 7.558 -9.725 1.00 1.00 C ATOM 1118 CG ASP A 70 -9.269 6.598 -8.541 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -8.534 6.750 -7.581 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -10.131 5.739 -8.607 1.00 1.00 O ATOM 0 H ASP A 70 -8.452 5.296 -10.575 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.742 7.976 -11.332 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -9.128 8.587 -9.367 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.955 7.443 -10.405 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.257 6.596 -8.711 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.114 6.741 -7.802 1.00 1.00 C ATOM 1127 C ASN A 71 -3.830 6.793 -8.633 1.00 1.00 C ATOM 1128 O ASN A 71 -2.899 7.533 -8.319 1.00 1.00 O ATOM 1129 CB ASN A 71 -5.071 5.573 -6.803 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.317 5.590 -5.912 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.657 6.626 -5.341 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -7.014 4.499 -5.752 1.00 1.00 N ATOM 0 H ASN A 71 -6.757 5.712 -8.618 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.213 7.663 -7.229 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -5.013 4.627 -7.341 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.174 5.645 -6.187 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.840 4.505 -5.154 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.733 3.640 -6.225 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.792 6.006 -9.703 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.629 5.991 -10.606 1.00 1.00 C ATOM 1141 C VAL A 72 -2.552 7.358 -11.293 1.00 1.00 C ATOM 1142 O VAL A 72 -1.486 7.971 -11.361 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.765 4.848 -11.654 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.598 4.887 -12.688 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.753 3.479 -10.927 1.00 1.00 C ATOM 0 H VAL A 72 -4.544 5.371 -9.972 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.714 5.805 -10.043 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.705 4.986 -12.188 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.721 4.077 -13.406 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.609 5.842 -13.213 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.647 4.770 -12.168 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.848 2.677 -11.659 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.815 3.364 -10.383 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.587 3.432 -10.227 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.689 7.833 -11.790 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.773 9.134 -12.459 1.00 1.00 C ATOM 1157 C LYS A 73 -3.199 10.232 -11.549 1.00 1.00 C ATOM 1158 O LYS A 73 -2.490 11.125 -12.014 1.00 1.00 O ATOM 1159 CB LYS A 73 -5.248 9.426 -12.810 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.394 10.732 -13.628 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.884 10.968 -13.972 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.046 12.252 -14.806 1.00 1.00 C ATOM 1163 NZ LYS A 73 -6.508 13.414 -14.045 1.00 1.00 N ATOM 0 H LYS A 73 -4.577 7.333 -11.743 1.00 1.00 H new ATOM 0 HA LYS A 73 -3.186 9.117 -13.377 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.659 8.592 -13.379 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.832 9.504 -11.893 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -5.005 11.575 -13.058 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.805 10.667 -14.543 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.275 10.115 -14.526 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -7.467 11.047 -13.055 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.519 12.150 -15.755 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -8.098 12.414 -15.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -7.140 14.231 -14.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -6.447 13.170 -13.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -5.561 13.654 -14.401 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.493 10.158 -10.255 1.00 1.00 N ATOM 1178 CA ARG A 74 -2.979 11.132 -9.279 1.00 1.00 C ATOM 1179 C ARG A 74 -1.457 11.013 -9.189 1.00 1.00 C ATOM 1180 O ARG A 74 -0.756 12.011 -9.020 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.636 10.905 -7.889 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.123 11.342 -7.911 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.794 11.041 -6.559 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.132 11.798 -5.487 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.289 13.121 -5.337 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.080 13.796 -6.135 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -4.656 13.744 -4.377 1.00 1.00 N ATOM 0 H ARG A 74 -4.086 9.434 -9.850 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.233 12.139 -9.609 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.565 9.853 -7.614 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.096 11.470 -7.129 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.192 12.408 -8.128 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.650 10.819 -8.709 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -6.851 11.305 -6.602 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.740 9.973 -6.347 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.530 11.298 -4.832 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -6.584 13.315 -6.880 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.191 14.802 -6.011 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.046 13.223 -3.747 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -4.772 14.750 -4.259 1.00 1.00 H new ATOM 1201 N ARG A 75 -0.939 9.794 -9.296 1.00 1.00 N ATOM 1202 CA ARG A 75 0.512 9.561 -9.242 1.00 1.00 C ATOM 1203 C ARG A 75 1.140 10.157 -10.504 1.00 1.00 C ATOM 1204 O ARG A 75 2.231 10.726 -10.462 1.00 1.00 O ATOM 1205 CB ARG A 75 0.823 8.050 -9.115 1.00 1.00 C ATOM 1206 CG ARG A 75 2.349 7.810 -8.956 1.00 1.00 C ATOM 1207 CD ARG A 75 2.640 6.304 -8.780 1.00 1.00 C ATOM 1208 NE ARG A 75 4.070 6.089 -8.509 1.00 1.00 N ATOM 1209 CZ ARG A 75 5.009 6.248 -9.453 1.00 1.00 C ATOM 1210 NH1 ARG A 75 4.674 6.578 -10.674 1.00 1.00 N ATOM 1211 NH2 ARG A 75 6.270 6.057 -9.159 1.00 1.00 N ATOM 0 H ARG A 75 -1.496 8.949 -9.421 1.00 1.00 H new ATOM 0 HA ARG A 75 0.936 10.045 -8.362 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.294 7.637 -8.256 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.458 7.524 -9.997 1.00 1.00 H new ATOM 0 HG2 ARG A 75 2.877 8.189 -9.831 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.723 8.363 -8.094 1.00 1.00 H new ATOM 0 HD2 ARG A 75 2.043 5.905 -7.960 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.348 5.763 -9.680 1.00 1.00 H new ATOM 0 HE ARG A 75 4.357 5.809 -7.571 1.00 1.00 H new ATOM 0 HH11 ARG A 75 3.692 6.716 -10.914 1.00 1.00 H new ATOM 0 HH12 ARG A 75 5.395 6.697 -11.386 1.00 1.00 H new ATOM 0 HH21 ARG A 75 6.538 5.787 -8.212 1.00 1.00 H new ATOM 0 HH22 ARG A 75 6.985 6.178 -9.876 1.00 1.00 H new ATOM 1225 N GLN A 76 0.447 10.025 -11.630 1.00 1.00 N ATOM 1226 CA GLN A 76 0.929 10.573 -12.910 1.00 1.00 C ATOM 1227 C GLN A 76 0.961 12.110 -12.807 1.00 1.00 C ATOM 1228 O GLN A 76 1.879 12.760 -13.307 1.00 1.00 O ATOM 1229 CB GLN A 76 0.015 10.120 -14.081 1.00 1.00 C ATOM 1230 CG GLN A 76 0.120 8.588 -14.326 1.00 1.00 C ATOM 1231 CD GLN A 76 1.504 8.207 -14.867 1.00 1.00 C ATOM 1232 OE1 GLN A 76 1.972 8.794 -15.843 1.00 1.00 O ATOM 1233 NE2 GLN A 76 2.187 7.252 -14.292 1.00 1.00 N ATOM 0 H GLN A 76 -0.451 9.545 -11.691 1.00 1.00 H new ATOM 0 HA GLN A 76 1.932 10.199 -13.114 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.019 10.384 -13.860 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.293 10.655 -14.989 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -0.069 8.054 -13.395 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.648 8.277 -15.034 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.801 6.765 -13.483 1.00 1.00 H new ATOM 0 HE22 GLN A 76 3.106 6.994 -14.652 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.036 12.676 -12.136 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.092 14.142 -11.941 1.00 1.00 C ATOM 1244 C GLU A 77 1.081 14.559 -11.044 1.00 1.00 C ATOM 1245 O GLU A 77 1.896 15.407 -11.408 1.00 1.00 O ATOM 1246 CB GLU A 77 -1.435 14.563 -11.271 1.00 1.00 C ATOM 1247 CG GLU A 77 -2.627 14.437 -12.259 1.00 1.00 C ATOM 1248 CD GLU A 77 -3.968 14.718 -11.558 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -3.958 15.065 -10.385 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -4.987 14.583 -12.213 1.00 1.00 O ATOM 0 H GLU A 77 -0.812 12.161 -11.719 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.027 14.635 -12.911 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -1.618 13.939 -10.396 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -1.360 15.592 -10.918 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.493 15.136 -13.085 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.642 13.435 -12.688 1.00 1.00 H new ATOM 1257 N LEU A 78 1.159 13.940 -9.870 1.00 1.00 N ATOM 1258 CA LEU A 78 2.231 14.224 -8.906 1.00 1.00 C ATOM 1259 C LEU A 78 3.604 13.984 -9.564 1.00 1.00 C ATOM 1260 O LEU A 78 4.554 14.730 -9.324 1.00 1.00 O ATOM 1261 CB LEU A 78 2.069 13.308 -7.657 1.00 1.00 C ATOM 1262 CG LEU A 78 0.777 13.671 -6.826 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.374 12.479 -5.921 1.00 1.00 C ATOM 1264 CD2 LEU A 78 1.017 14.917 -5.920 1.00 1.00 C ATOM 0 H LEU A 78 0.492 13.234 -9.557 1.00 1.00 H new ATOM 0 HA LEU A 78 2.167 15.266 -8.594 1.00 1.00 H new ATOM 0 HB2 LEU A 78 2.016 12.267 -7.975 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.949 13.403 -7.021 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.018 13.894 -7.538 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.518 12.740 -5.352 1.00 1.00 H new ATOM 0 HD12 LEU A 78 0.168 11.606 -6.540 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.189 12.252 -5.234 1.00 1.00 H new ATOM 0 HD21 LEU A 78 0.108 15.141 -5.361 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.830 14.710 -5.224 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.281 15.773 -6.541 1.00 1.00 H new ATOM 1276 N ALA A 79 3.696 12.959 -10.404 1.00 1.00 N ATOM 1277 CA ALA A 79 4.956 12.634 -11.090 1.00 1.00 C ATOM 1278 C ALA A 79 5.341 13.774 -12.016 1.00 1.00 C ATOM 1279 O ALA A 79 6.497 14.186 -12.112 1.00 1.00 O ATOM 1280 CB ALA A 79 4.807 11.340 -11.906 1.00 1.00 C ATOM 0 H ALA A 79 2.920 12.337 -10.630 1.00 1.00 H new ATOM 0 HA ALA A 79 5.734 12.490 -10.340 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.749 11.115 -12.407 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.545 10.518 -11.240 1.00 1.00 H new ATOM 0 HB3 ALA A 79 4.022 11.468 -12.651 1.00 1.00 H new ATOM 1286 N ARG A 80 4.334 14.295 -12.710 1.00 1.00 N ATOM 1287 CA ARG A 80 4.523 15.396 -13.639 1.00 1.00 C ATOM 1288 C ARG A 80 4.855 16.663 -12.859 1.00 1.00 C ATOM 1289 O ARG A 80 5.698 17.458 -13.274 1.00 1.00 O ATOM 1290 CB ARG A 80 3.242 15.565 -14.467 1.00 1.00 C ATOM 1291 CG ARG A 80 3.424 16.654 -15.545 1.00 1.00 C ATOM 1292 CD ARG A 80 2.138 16.800 -16.372 1.00 1.00 C ATOM 1293 NE ARG A 80 2.358 17.750 -17.469 1.00 1.00 N ATOM 1294 CZ ARG A 80 2.521 19.063 -17.257 1.00 1.00 C ATOM 1295 NH1 ARG A 80 2.407 19.563 -16.053 1.00 1.00 N ATOM 1296 NH2 ARG A 80 2.781 19.853 -18.264 1.00 1.00 N ATOM 0 H ARG A 80 3.371 13.966 -12.643 1.00 1.00 H new ATOM 0 HA ARG A 80 5.352 15.193 -14.317 1.00 1.00 H new ATOM 0 HB2 ARG A 80 2.983 14.618 -14.941 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.413 15.831 -13.812 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.672 17.605 -15.074 1.00 1.00 H new ATOM 0 HG3 ARG A 80 4.258 16.395 -16.198 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.840 15.831 -16.772 1.00 1.00 H new ATOM 0 HD3 ARG A 80 1.323 17.147 -15.736 1.00 1.00 H new ATOM 0 HE ARG A 80 2.388 17.398 -18.426 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.192 18.952 -15.265 1.00 1.00 H new ATOM 0 HH12 ARG A 80 2.533 20.564 -15.902 1.00 1.00 H new ATOM 0 HH21 ARG A 80 2.859 19.470 -19.206 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.906 20.853 -18.108 1.00 1.00 H new ATOM 1310 N GLN A 81 4.194 16.849 -11.721 1.00 1.00 N ATOM 1311 CA GLN A 81 4.415 18.026 -10.879 1.00 1.00 C ATOM 1312 C GLN A 81 5.876 18.080 -10.419 1.00 1.00 C ATOM 1313 O GLN A 81 6.564 19.077 -10.639 1.00 1.00 O ATOM 1314 CB GLN A 81 3.463 17.962 -9.663 1.00 1.00 C ATOM 1315 CG GLN A 81 3.529 19.265 -8.834 1.00 1.00 C ATOM 1316 CD GLN A 81 2.573 19.184 -7.641 1.00 1.00 C ATOM 1317 OE1 GLN A 81 2.720 18.307 -6.790 1.00 1.00 O ATOM 1318 NE2 GLN A 81 1.602 20.048 -7.528 1.00 1.00 N ATOM 0 H GLN A 81 3.498 16.199 -11.357 1.00 1.00 H new ATOM 0 HA GLN A 81 4.207 18.931 -11.450 1.00 1.00 H new ATOM 0 HB2 GLN A 81 2.441 17.797 -10.006 1.00 1.00 H new ATOM 0 HB3 GLN A 81 3.729 17.113 -9.033 1.00 1.00 H new ATOM 0 HG2 GLN A 81 4.548 19.429 -8.482 1.00 1.00 H new ATOM 0 HG3 GLN A 81 3.267 20.117 -9.461 1.00 1.00 H new ATOM 0 HE21 GLN A 81 1.481 20.774 -8.234 1.00 1.00 H new ATOM 0 HE22 GLN A 81 0.964 19.997 -6.734 1.00 1.00 H new ATOM 1327 N CYS A 82 6.355 17.007 -9.798 1.00 1.00 N ATOM 1328 CA CYS A 82 7.736 16.927 -9.322 1.00 1.00 C ATOM 1329 C CYS A 82 8.710 16.952 -10.498 1.00 1.00 C ATOM 1330 O CYS A 82 9.847 17.407 -10.370 1.00 1.00 O ATOM 1331 CB CYS A 82 7.939 15.635 -8.497 1.00 1.00 C ATOM 1332 SG CYS A 82 7.810 14.174 -9.558 1.00 1.00 S ATOM 0 H CYS A 82 5.802 16.171 -9.610 1.00 1.00 H new ATOM 0 HA CYS A 82 7.934 17.791 -8.687 1.00 1.00 H new ATOM 0 HB2 CYS A 82 8.916 15.655 -8.014 1.00 1.00 H new ATOM 0 HB3 CYS A 82 7.193 15.582 -7.704 1.00 1.00 H new ATOM 0 HG CYS A 82 7.377 14.527 -10.732 1.00 1.00 H new