USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -0.873! C(o=-1.3!,f=-1.2!) USER MOD Set 1.2: A 232 THR OG1 : rot -140:sc= -0.442 USER MOD Single : A 180 LYS NZ :NH3+ -128:sc= -0.0479 (180deg=-0.411) USER MOD Single : A 181 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.29) USER MOD Single : A 182 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.87) USER MOD Single : A 186 MET CE :methyl -140:sc= -0.249 (180deg=-1.67!) USER MOD Single : A 189 SER OG : rot -39:sc= 0.247 USER MOD Single : A 193 LYS NZ :NH3+ -163:sc= -0.0133 (180deg=-0.211) USER MOD Single : A 194 HIS : no HE2:sc= -0.75! C(o=-0.75!,f=-7.2!) USER MOD Single : A 195 GLN : amide:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 198 ASN : amide:sc= -3.42! C(o=-3.4!,f=-16!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 40:sc= 0.468 USER MOD Single : A 207 LYS NZ :NH3+ -163:sc= -0.029 (180deg=-0.302) USER MOD Single : A 208 GLN : amide:sc= -2.52 K(o=-2.5,f=-5.4!) USER MOD Single : A 212 TYR OH : rot 80:sc= 0.166 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 156:sc= -0.79 (180deg=-1.59) USER MOD Single : A 223 GLN : amide:sc= -12! C(o=-12!,f=-1.4!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.068) USER MOD Single : A 236 LYS NZ :NH3+ 151:sc= -0.178 (180deg=-0.97) USER MOD Single : A 239 TYR OH : rot -13:sc= -0.995 USER MOD Single : A 241 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 242 TYR OH : rot 178:sc= 0.557 USER MOD Single : A 243 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.00031) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.535 -13.660 -10.865 1.00 0.00 N ATOM 2 CA ARG A 175 3.321 -12.812 -11.020 1.00 0.00 C ATOM 3 C ARG A 175 3.637 -11.387 -10.575 1.00 0.00 C ATOM 4 O ARG A 175 4.649 -11.129 -9.953 1.00 0.00 O ATOM 5 CB ARG A 175 2.180 -13.389 -10.162 1.00 0.00 C ATOM 6 CG ARG A 175 1.022 -12.386 -10.089 1.00 0.00 C ATOM 7 CD ARG A 175 -0.227 -13.066 -9.544 1.00 0.00 C ATOM 8 NE ARG A 175 -0.708 -14.067 -10.534 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.640 -14.908 -10.197 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.140 -14.866 -8.994 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.071 -15.787 -11.058 1.00 0.00 N ATOM 0 HA ARG A 175 3.012 -12.801 -12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.832 -14.329 -10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.544 -13.611 -9.159 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.297 -11.547 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 175 0.821 -11.979 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.006 -13.553 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.004 -12.326 -9.350 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.309 -14.093 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.800 -14.176 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -2.872 -15.523 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.677 -15.816 -11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -2.802 -16.446 -10.791 1.00 0.00 H new ATOM 25 N ALA A 176 2.774 -10.458 -10.879 1.00 0.00 N ATOM 26 CA ALA A 176 3.017 -9.055 -10.462 1.00 0.00 C ATOM 27 C ALA A 176 3.027 -8.983 -8.935 1.00 0.00 C ATOM 28 O ALA A 176 3.101 -7.915 -8.357 1.00 0.00 O ATOM 29 CB ALA A 176 1.913 -8.147 -11.009 1.00 0.00 C ATOM 0 H ALA A 176 1.910 -10.613 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 176 3.977 -8.721 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.100 -7.119 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.904 -8.201 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.948 -8.474 -10.622 1.00 0.00 H new ATOM 35 N ARG A 177 2.961 -10.108 -8.271 1.00 0.00 N ATOM 36 CA ARG A 177 2.977 -10.083 -6.790 1.00 0.00 C ATOM 37 C ARG A 177 4.328 -9.541 -6.336 1.00 0.00 C ATOM 38 O ARG A 177 4.496 -9.129 -5.205 1.00 0.00 O ATOM 39 CB ARG A 177 2.773 -11.491 -6.228 1.00 0.00 C ATOM 40 CG ARG A 177 2.779 -11.435 -4.690 1.00 0.00 C ATOM 41 CD ARG A 177 2.030 -12.645 -4.121 1.00 0.00 C ATOM 42 NE ARG A 177 2.695 -13.900 -4.574 1.00 0.00 N ATOM 43 CZ ARG A 177 2.381 -15.045 -4.029 1.00 0.00 C ATOM 44 NH1 ARG A 177 1.478 -15.093 -3.086 1.00 0.00 N ATOM 45 NH2 ARG A 177 2.969 -16.140 -4.424 1.00 0.00 N ATOM 0 H ARG A 177 2.897 -11.034 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 177 2.169 -9.449 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.829 -11.903 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.563 -12.153 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.805 -11.425 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.309 -10.512 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 177 2.019 -12.600 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 177 0.991 -12.632 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 177 3.398 -13.865 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 177 1.019 -14.237 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 177 1.232 -15.987 -2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 177 3.675 -16.103 -5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 177 2.723 -17.033 -3.998 1.00 0.00 H new ATOM 59 N ALA A 178 5.288 -9.511 -7.221 1.00 0.00 N ATOM 60 CA ALA A 178 6.612 -8.961 -6.843 1.00 0.00 C ATOM 61 C ALA A 178 6.417 -7.483 -6.542 1.00 0.00 C ATOM 62 O ALA A 178 6.782 -6.991 -5.493 1.00 0.00 O ATOM 63 CB ALA A 178 7.583 -9.109 -8.013 1.00 0.00 C ATOM 0 H ALA A 178 5.209 -9.842 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 178 7.016 -9.490 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.555 -8.704 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.689 -10.164 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.199 -8.565 -8.876 1.00 0.00 H new ATOM 69 N ASP A 179 5.811 -6.779 -7.456 1.00 0.00 N ATOM 70 CA ASP A 179 5.548 -5.338 -7.227 1.00 0.00 C ATOM 71 C ASP A 179 4.618 -5.207 -6.024 1.00 0.00 C ATOM 72 O ASP A 179 4.762 -4.333 -5.211 1.00 0.00 O ATOM 73 CB ASP A 179 4.883 -4.720 -8.461 1.00 0.00 C ATOM 74 CG ASP A 179 5.905 -4.603 -9.597 1.00 0.00 C ATOM 75 OD1 ASP A 179 7.044 -4.273 -9.311 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.529 -4.838 -10.734 1.00 0.00 O ATOM 0 H ASP A 179 5.487 -7.143 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 179 6.486 -4.815 -7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 179 4.041 -5.335 -8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.484 -3.736 -8.216 1.00 0.00 H new ATOM 81 N LYS A 180 3.654 -6.075 -5.913 1.00 0.00 N ATOM 82 CA LYS A 180 2.709 -5.994 -4.764 1.00 0.00 C ATOM 83 C LYS A 180 3.495 -5.923 -3.452 1.00 0.00 C ATOM 84 O LYS A 180 3.355 -4.994 -2.687 1.00 0.00 O ATOM 85 CB LYS A 180 1.829 -7.244 -4.758 1.00 0.00 C ATOM 86 CG LYS A 180 0.685 -7.085 -3.751 1.00 0.00 C ATOM 87 CD LYS A 180 -0.006 -8.449 -3.510 1.00 0.00 C ATOM 88 CE LYS A 180 0.594 -9.135 -2.279 1.00 0.00 C ATOM 89 NZ LYS A 180 0.143 -8.424 -1.051 1.00 0.00 N ATOM 0 H LYS A 180 3.478 -6.837 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 180 2.091 -5.102 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.423 -7.416 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.429 -8.118 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.071 -6.693 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.040 -6.362 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.077 -8.303 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.115 -9.086 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 180 0.284 -10.179 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 180 1.682 -9.128 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 0.969 -8.182 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -0.359 -7.554 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -0.496 -9.039 -0.508 1.00 0.00 H new ATOM 103 N GLN A 181 4.321 -6.897 -3.187 1.00 0.00 N ATOM 104 CA GLN A 181 5.107 -6.880 -1.919 1.00 0.00 C ATOM 105 C GLN A 181 5.981 -5.625 -1.871 1.00 0.00 C ATOM 106 O GLN A 181 6.039 -4.926 -0.875 1.00 0.00 O ATOM 107 CB GLN A 181 5.989 -8.132 -1.866 1.00 0.00 C ATOM 108 CG GLN A 181 6.651 -8.243 -0.494 1.00 0.00 C ATOM 109 CD GLN A 181 5.586 -8.562 0.554 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.265 -9.711 0.783 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.018 -7.584 1.202 1.00 0.00 N ATOM 0 H GLN A 181 4.486 -7.702 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 181 4.431 -6.871 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.388 -9.020 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.751 -8.084 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.412 -9.024 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.156 -7.310 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.288 -6.620 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.303 -7.783 1.902 1.00 0.00 H new ATOM 120 N HIS A 182 6.656 -5.332 -2.940 1.00 0.00 N ATOM 121 CA HIS A 182 7.520 -4.128 -2.976 1.00 0.00 C ATOM 122 C HIS A 182 6.656 -2.863 -2.922 1.00 0.00 C ATOM 123 O HIS A 182 7.050 -1.852 -2.372 1.00 0.00 O ATOM 124 CB HIS A 182 8.338 -4.169 -4.261 1.00 0.00 C ATOM 125 CG HIS A 182 9.234 -2.973 -4.349 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.728 -2.313 -3.236 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.718 -2.305 -5.433 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.477 -1.285 -3.679 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.504 -1.235 -5.016 1.00 0.00 N ATOM 0 H HIS A 182 6.646 -5.881 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 182 8.189 -4.113 -2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.934 -5.081 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.671 -4.196 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.521 -2.567 -6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 182 10.992 -0.587 -3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.994 -0.559 -5.602 1.00 0.00 H new ATOM 137 N VAL A 183 5.481 -2.907 -3.491 1.00 0.00 N ATOM 138 CA VAL A 183 4.598 -1.713 -3.476 1.00 0.00 C ATOM 139 C VAL A 183 4.108 -1.462 -2.052 1.00 0.00 C ATOM 140 O VAL A 183 3.984 -0.332 -1.629 1.00 0.00 O ATOM 141 CB VAL A 183 3.401 -1.940 -4.414 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.375 -0.810 -4.217 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.876 -1.965 -5.893 1.00 0.00 C ATOM 0 H VAL A 183 5.097 -3.723 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 183 5.156 -0.843 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 183 2.939 -2.898 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.526 -0.970 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.031 -0.807 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.841 0.148 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 183 3.019 -2.126 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.347 -1.014 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.595 -2.773 -6.031 1.00 0.00 H new ATOM 153 N LEU A 184 3.828 -2.493 -1.294 1.00 0.00 N ATOM 154 CA LEU A 184 3.354 -2.242 0.092 1.00 0.00 C ATOM 155 C LEU A 184 4.426 -1.442 0.823 1.00 0.00 C ATOM 156 O LEU A 184 4.132 -0.540 1.580 1.00 0.00 O ATOM 157 CB LEU A 184 3.111 -3.564 0.826 1.00 0.00 C ATOM 158 CG LEU A 184 1.914 -4.303 0.219 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.781 -5.667 0.901 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.618 -3.495 0.420 1.00 0.00 C ATOM 0 H LEU A 184 3.906 -3.472 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 184 2.414 -1.690 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.001 -4.190 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.929 -3.372 1.883 1.00 0.00 H new ATOM 0 HG LEU A 184 2.076 -4.431 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.932 -6.204 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.692 -6.244 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.624 -5.525 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.220 -4.037 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.440 -3.352 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.716 -2.524 -0.065 1.00 0.00 H new ATOM 172 N ASP A 185 5.672 -1.751 0.587 1.00 0.00 N ATOM 173 CA ASP A 185 6.755 -0.987 1.261 1.00 0.00 C ATOM 174 C ASP A 185 6.604 0.497 0.919 1.00 0.00 C ATOM 175 O ASP A 185 6.746 1.358 1.766 1.00 0.00 O ATOM 176 CB ASP A 185 8.113 -1.495 0.778 1.00 0.00 C ATOM 177 CG ASP A 185 8.353 -2.901 1.334 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.786 -3.209 2.370 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.093 -3.646 0.714 1.00 0.00 O ATOM 0 H ASP A 185 5.983 -2.494 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 185 6.688 -1.121 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.141 -1.512 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.904 -0.821 1.107 1.00 0.00 H new ATOM 184 N MET A 186 6.306 0.808 -0.318 1.00 0.00 N ATOM 185 CA MET A 186 6.137 2.243 -0.700 1.00 0.00 C ATOM 186 C MET A 186 4.970 2.840 0.088 1.00 0.00 C ATOM 187 O MET A 186 4.990 3.995 0.461 1.00 0.00 O ATOM 188 CB MET A 186 5.854 2.360 -2.206 1.00 0.00 C ATOM 189 CG MET A 186 7.064 1.863 -3.006 1.00 0.00 C ATOM 190 SD MET A 186 8.494 2.929 -2.691 1.00 0.00 S ATOM 191 CE MET A 186 7.840 4.449 -3.424 1.00 0.00 C ATOM 0 H MET A 186 6.173 0.136 -1.074 1.00 0.00 H new ATOM 0 HA MET A 186 7.054 2.786 -0.470 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.971 1.776 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.637 3.397 -2.464 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.298 0.835 -2.727 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.830 1.859 -4.071 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.632 4.958 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 186 7.026 4.203 -4.106 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.467 5.102 -2.635 1.00 0.00 H new ATOM 201 N LEU A 187 3.953 2.066 0.346 1.00 0.00 N ATOM 202 CA LEU A 187 2.793 2.599 1.115 1.00 0.00 C ATOM 203 C LEU A 187 3.228 2.894 2.549 1.00 0.00 C ATOM 204 O LEU A 187 2.928 3.936 3.095 1.00 0.00 O ATOM 205 CB LEU A 187 1.668 1.561 1.133 1.00 0.00 C ATOM 206 CG LEU A 187 1.250 1.197 -0.295 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.119 0.168 -0.228 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.762 2.450 -1.042 1.00 0.00 C ATOM 0 H LEU A 187 3.874 1.090 0.059 1.00 0.00 H new ATOM 0 HA LEU A 187 2.436 3.514 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.999 0.666 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.811 1.954 1.680 1.00 0.00 H new ATOM 0 HG LEU A 187 2.105 0.783 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.189 -0.101 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.468 -0.723 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.729 0.594 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.468 2.178 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.094 2.876 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.565 3.185 -1.082 1.00 0.00 H new ATOM 220 N PHE A 188 3.942 1.995 3.166 1.00 0.00 N ATOM 221 CA PHE A 188 4.385 2.254 4.558 1.00 0.00 C ATOM 222 C PHE A 188 5.202 3.540 4.585 1.00 0.00 C ATOM 223 O PHE A 188 5.050 4.361 5.467 1.00 0.00 O ATOM 224 CB PHE A 188 5.222 1.076 5.071 1.00 0.00 C ATOM 225 CG PHE A 188 4.299 -0.062 5.446 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.543 0.021 6.621 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.186 -1.191 4.621 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.679 -1.021 6.975 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.321 -2.234 4.977 1.00 0.00 C ATOM 230 CZ PHE A 188 2.566 -2.147 6.154 1.00 0.00 C ATOM 0 H PHE A 188 4.234 1.102 2.770 1.00 0.00 H new ATOM 0 HA PHE A 188 3.517 2.364 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.925 0.752 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.812 1.382 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.627 0.891 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.765 -1.256 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.099 -0.955 7.883 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.236 -3.105 4.344 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.897 -2.950 6.427 1.00 0.00 H new ATOM 240 N SER A 189 6.047 3.740 3.615 1.00 0.00 N ATOM 241 CA SER A 189 6.847 4.995 3.592 1.00 0.00 C ATOM 242 C SER A 189 5.888 6.183 3.476 1.00 0.00 C ATOM 243 O SER A 189 6.005 7.174 4.177 1.00 0.00 O ATOM 244 CB SER A 189 7.788 4.968 2.387 1.00 0.00 C ATOM 245 OG SER A 189 7.021 4.970 1.191 1.00 0.00 O ATOM 0 H SER A 189 6.218 3.096 2.843 1.00 0.00 H new ATOM 0 HA SER A 189 7.437 5.086 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.450 5.833 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.421 4.081 2.425 1.00 0.00 H new ATOM 0 HG SER A 189 6.228 4.406 1.310 1.00 0.00 H new ATOM 251 N ALA A 190 4.919 6.078 2.612 1.00 0.00 N ATOM 252 CA ALA A 190 3.934 7.181 2.462 1.00 0.00 C ATOM 253 C ALA A 190 3.120 7.281 3.745 1.00 0.00 C ATOM 254 O ALA A 190 2.936 8.347 4.293 1.00 0.00 O ATOM 255 CB ALA A 190 3.001 6.879 1.291 1.00 0.00 C ATOM 0 H ALA A 190 4.767 5.274 2.003 1.00 0.00 H new ATOM 0 HA ALA A 190 4.453 8.121 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.279 7.689 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.585 6.788 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.472 5.945 1.479 1.00 0.00 H new ATOM 261 N PHE A 191 2.644 6.168 4.232 1.00 0.00 N ATOM 262 CA PHE A 191 1.847 6.183 5.490 1.00 0.00 C ATOM 263 C PHE A 191 2.751 6.551 6.672 1.00 0.00 C ATOM 264 O PHE A 191 2.282 6.933 7.724 1.00 0.00 O ATOM 265 CB PHE A 191 1.189 4.809 5.709 1.00 0.00 C ATOM 266 CG PHE A 191 -0.060 4.709 4.857 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.179 5.485 5.179 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.098 3.857 3.750 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.336 5.408 4.398 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.255 3.779 2.961 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.376 4.556 3.287 1.00 0.00 C ATOM 0 H PHE A 191 2.773 5.248 3.812 1.00 0.00 H new ATOM 0 HA PHE A 191 1.059 6.932 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.886 4.013 5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.937 4.678 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.149 6.145 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.765 3.257 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.199 6.006 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.283 3.122 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.269 4.498 2.682 1.00 0.00 H new ATOM 281 N GLU A 192 4.045 6.463 6.500 1.00 0.00 N ATOM 282 CA GLU A 192 4.973 6.830 7.610 1.00 0.00 C ATOM 283 C GLU A 192 4.920 8.345 7.819 1.00 0.00 C ATOM 284 O GLU A 192 5.116 8.839 8.912 1.00 0.00 O ATOM 285 CB GLU A 192 6.403 6.408 7.261 1.00 0.00 C ATOM 286 CG GLU A 192 7.336 6.746 8.425 1.00 0.00 C ATOM 287 CD GLU A 192 8.710 6.116 8.185 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.788 5.205 7.376 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.660 6.553 8.814 1.00 0.00 O ATOM 0 H GLU A 192 4.498 6.153 5.640 1.00 0.00 H new ATOM 0 HA GLU A 192 4.670 6.318 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.437 5.339 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.733 6.919 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.433 7.827 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.915 6.377 9.360 1.00 0.00 H new ATOM 296 N LYS A 193 4.656 9.082 6.776 1.00 0.00 N ATOM 297 CA LYS A 193 4.589 10.566 6.908 1.00 0.00 C ATOM 298 C LYS A 193 3.220 10.968 7.471 1.00 0.00 C ATOM 299 O LYS A 193 3.128 11.721 8.422 1.00 0.00 O ATOM 300 CB LYS A 193 4.791 11.184 5.527 1.00 0.00 C ATOM 301 CG LYS A 193 6.240 10.958 5.092 1.00 0.00 C ATOM 302 CD LYS A 193 6.473 11.600 3.723 1.00 0.00 C ATOM 303 CE LYS A 193 7.940 11.419 3.326 1.00 0.00 C ATOM 304 NZ LYS A 193 8.789 12.324 4.149 1.00 0.00 N ATOM 0 H LYS A 193 4.484 8.722 5.837 1.00 0.00 H new ATOM 0 HA LYS A 193 5.364 10.922 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.107 10.733 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 193 4.567 12.250 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.922 11.387 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.453 9.890 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 193 5.823 11.142 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.221 12.660 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.243 10.383 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.072 11.641 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.724 12.423 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.337 13.258 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.901 11.924 5.102 1.00 0.00 H new ATOM 318 N HIS A 194 2.161 10.447 6.910 1.00 0.00 N ATOM 319 CA HIS A 194 0.787 10.764 7.420 1.00 0.00 C ATOM 320 C HIS A 194 -0.059 9.492 7.371 1.00 0.00 C ATOM 321 O HIS A 194 0.059 8.689 6.477 1.00 0.00 O ATOM 322 CB HIS A 194 0.107 11.812 6.541 1.00 0.00 C ATOM 323 CG HIS A 194 0.798 13.144 6.633 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.686 13.479 7.644 1.00 0.00 N ATOM 325 CD2 HIS A 194 0.715 14.244 5.827 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.097 14.743 7.415 1.00 0.00 C ATOM 327 NE2 HIS A 194 1.535 15.253 6.316 1.00 0.00 N ATOM 0 H HIS A 194 2.186 9.810 6.114 1.00 0.00 H new ATOM 0 HA HIS A 194 0.875 11.148 8.436 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.105 11.473 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.935 11.920 6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 194 1.975 12.880 8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.102 14.318 4.941 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.795 15.277 8.043 1.00 0.00 H new ATOM 335 N GLN A 195 -0.908 9.294 8.326 1.00 0.00 N ATOM 336 CA GLN A 195 -1.746 8.065 8.337 1.00 0.00 C ATOM 337 C GLN A 195 -2.756 8.095 7.159 1.00 0.00 C ATOM 338 O GLN A 195 -3.404 7.108 6.879 1.00 0.00 O ATOM 339 CB GLN A 195 -2.488 8.020 9.686 1.00 0.00 C ATOM 340 CG GLN A 195 -2.915 6.590 10.042 1.00 0.00 C ATOM 341 CD GLN A 195 -4.010 6.111 9.100 1.00 0.00 C ATOM 342 OE1 GLN A 195 -5.099 6.642 9.104 1.00 0.00 O ATOM 343 NE2 GLN A 195 -3.755 5.132 8.273 1.00 0.00 N ATOM 0 H GLN A 195 -1.063 9.931 9.107 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.126 7.176 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.843 8.415 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.367 8.663 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -2.056 5.922 9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -3.272 6.556 11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.836 4.689 8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -4.475 4.811 7.626 1.00 0.00 H new ATOM 352 N TYR A 196 -2.926 9.221 6.479 1.00 0.00 N ATOM 353 CA TYR A 196 -3.946 9.283 5.357 1.00 0.00 C ATOM 354 C TYR A 196 -3.332 9.615 3.987 1.00 0.00 C ATOM 355 O TYR A 196 -2.509 10.501 3.851 1.00 0.00 O ATOM 356 CB TYR A 196 -4.955 10.381 5.687 1.00 0.00 C ATOM 357 CG TYR A 196 -5.627 10.064 6.997 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.666 9.129 7.041 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.206 10.706 8.166 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.288 8.833 8.258 1.00 0.00 C ATOM 361 CE2 TYR A 196 -5.826 10.410 9.386 1.00 0.00 C ATOM 362 CZ TYR A 196 -6.868 9.474 9.433 1.00 0.00 C ATOM 363 OH TYR A 196 -7.476 9.184 10.637 1.00 0.00 O ATOM 0 H TYR A 196 -2.413 10.086 6.648 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.400 8.295 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.452 11.346 5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.698 10.458 4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.988 8.636 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.404 11.429 8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.091 8.112 8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.501 10.903 10.291 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.062 9.716 11.349 1.00 0.00 H new ATOM 373 N TYR A 197 -3.794 8.931 2.961 1.00 0.00 N ATOM 374 CA TYR A 197 -3.323 9.207 1.562 1.00 0.00 C ATOM 375 C TYR A 197 -4.445 8.903 0.566 1.00 0.00 C ATOM 376 O TYR A 197 -5.015 7.829 0.566 1.00 0.00 O ATOM 377 CB TYR A 197 -2.091 8.353 1.230 1.00 0.00 C ATOM 378 CG TYR A 197 -0.851 9.039 1.737 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.473 8.928 3.076 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.085 9.805 0.852 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.678 9.584 3.525 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.062 10.456 1.300 1.00 0.00 C ATOM 383 CZ TYR A 197 1.445 10.347 2.638 1.00 0.00 C ATOM 384 OH TYR A 197 2.581 10.987 3.080 1.00 0.00 O ATOM 0 H TYR A 197 -4.485 8.185 3.036 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.049 10.260 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.186 7.367 1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.020 8.201 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.065 8.339 3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.384 9.892 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.976 9.501 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.654 11.044 0.614 1.00 0.00 H new ATOM 0 HH TYR A 197 2.994 11.471 2.335 1.00 0.00 H new ATOM 394 N ASN A 198 -4.756 9.834 -0.299 1.00 0.00 N ATOM 395 CA ASN A 198 -5.829 9.591 -1.308 1.00 0.00 C ATOM 396 C ASN A 198 -5.224 8.905 -2.540 1.00 0.00 C ATOM 397 O ASN A 198 -4.020 8.815 -2.683 1.00 0.00 O ATOM 398 CB ASN A 198 -6.479 10.918 -1.713 1.00 0.00 C ATOM 399 CG ASN A 198 -5.527 11.749 -2.567 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.326 11.588 -2.499 1.00 0.00 O ATOM 401 ND2 ASN A 198 -6.031 12.641 -3.377 1.00 0.00 N ATOM 0 H ASN A 198 -4.313 10.751 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.593 8.946 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.397 10.724 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.758 11.479 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.414 13.208 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -7.041 12.770 -3.428 1.00 0.00 H new ATOM 408 N LEU A 199 -6.052 8.417 -3.427 1.00 0.00 N ATOM 409 CA LEU A 199 -5.527 7.730 -4.646 1.00 0.00 C ATOM 410 C LEU A 199 -4.633 8.679 -5.459 1.00 0.00 C ATOM 411 O LEU A 199 -3.609 8.283 -5.977 1.00 0.00 O ATOM 412 CB LEU A 199 -6.697 7.293 -5.537 1.00 0.00 C ATOM 413 CG LEU A 199 -7.570 6.243 -4.835 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.739 5.882 -5.761 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.749 4.977 -4.533 1.00 0.00 C ATOM 0 H LEU A 199 -7.069 8.464 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.946 6.865 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.304 8.161 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.313 6.884 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.940 6.650 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.370 5.136 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.328 6.775 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.351 5.477 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.382 4.243 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.371 4.558 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.911 5.233 -3.884 1.00 0.00 H new ATOM 427 N LYS A 200 -5.026 9.916 -5.606 1.00 0.00 N ATOM 428 CA LYS A 200 -4.207 10.865 -6.424 1.00 0.00 C ATOM 429 C LYS A 200 -2.795 10.998 -5.837 1.00 0.00 C ATOM 430 O LYS A 200 -1.813 11.046 -6.553 1.00 0.00 O ATOM 431 CB LYS A 200 -4.888 12.243 -6.461 1.00 0.00 C ATOM 432 CG LYS A 200 -4.201 13.156 -7.496 1.00 0.00 C ATOM 433 CD LYS A 200 -4.756 12.879 -8.903 1.00 0.00 C ATOM 434 CE LYS A 200 -4.154 13.876 -9.894 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.642 13.571 -11.269 1.00 0.00 N ATOM 0 H LYS A 200 -5.873 10.311 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.128 10.474 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.942 12.128 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.844 12.704 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.363 14.201 -7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.124 12.987 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.517 11.860 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.843 12.964 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.431 14.893 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.066 13.823 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.232 14.250 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.356 12.606 -11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.679 13.644 -11.293 1.00 0.00 H new ATOM 449 N ASP A 201 -2.674 11.073 -4.547 1.00 0.00 N ATOM 450 CA ASP A 201 -1.314 11.206 -3.952 1.00 0.00 C ATOM 451 C ASP A 201 -0.529 9.906 -4.138 1.00 0.00 C ATOM 452 O ASP A 201 0.663 9.919 -4.365 1.00 0.00 O ATOM 453 CB ASP A 201 -1.423 11.519 -2.458 1.00 0.00 C ATOM 454 CG ASP A 201 -1.952 12.941 -2.266 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.634 13.787 -3.086 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.669 13.160 -1.302 1.00 0.00 O ATOM 0 H ASP A 201 -3.446 11.049 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.793 12.019 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.089 10.805 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.447 11.417 -1.983 1.00 0.00 H new ATOM 461 N LEU A 202 -1.179 8.780 -4.017 1.00 0.00 N ATOM 462 CA LEU A 202 -0.455 7.483 -4.162 1.00 0.00 C ATOM 463 C LEU A 202 0.107 7.325 -5.576 1.00 0.00 C ATOM 464 O LEU A 202 1.197 6.820 -5.755 1.00 0.00 O ATOM 465 CB LEU A 202 -1.403 6.317 -3.860 1.00 0.00 C ATOM 466 CG LEU A 202 -1.755 6.278 -2.360 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.813 5.191 -2.114 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.495 5.966 -1.518 1.00 0.00 C ATOM 0 H LEU A 202 -2.178 8.701 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 202 0.373 7.477 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.314 6.420 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.937 5.377 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.145 7.252 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.064 5.161 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.709 5.417 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.418 4.223 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.760 5.942 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.091 4.997 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.255 6.738 -1.686 1.00 0.00 H new ATOM 480 N VAL A 203 -0.611 7.732 -6.588 1.00 0.00 N ATOM 481 CA VAL A 203 -0.070 7.566 -7.964 1.00 0.00 C ATOM 482 C VAL A 203 1.195 8.402 -8.127 1.00 0.00 C ATOM 483 O VAL A 203 2.137 7.985 -8.771 1.00 0.00 O ATOM 484 CB VAL A 203 -1.102 7.970 -9.013 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.208 6.922 -9.077 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.718 9.304 -8.637 1.00 0.00 C ATOM 0 H VAL A 203 -1.532 8.165 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 203 0.170 6.513 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.609 8.049 -9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.943 7.214 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.779 5.957 -9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.693 6.845 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.454 9.589 -9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.205 9.219 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.938 10.064 -8.587 1.00 0.00 H new ATOM 496 N ASP A 204 1.246 9.569 -7.547 1.00 0.00 N ATOM 497 CA ASP A 204 2.484 10.380 -7.693 1.00 0.00 C ATOM 498 C ASP A 204 3.649 9.571 -7.128 1.00 0.00 C ATOM 499 O ASP A 204 4.721 9.523 -7.697 1.00 0.00 O ATOM 500 CB ASP A 204 2.349 11.695 -6.922 1.00 0.00 C ATOM 501 CG ASP A 204 3.533 12.600 -7.265 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.436 12.128 -7.938 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.519 13.746 -6.850 1.00 0.00 O ATOM 0 H ASP A 204 0.501 9.988 -6.990 1.00 0.00 H new ATOM 0 HA ASP A 204 2.654 10.613 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.412 12.188 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.322 11.501 -5.850 1.00 0.00 H new ATOM 508 N ILE A 205 3.436 8.918 -6.022 1.00 0.00 N ATOM 509 CA ILE A 205 4.515 8.090 -5.417 1.00 0.00 C ATOM 510 C ILE A 205 4.782 6.882 -6.317 1.00 0.00 C ATOM 511 O ILE A 205 5.893 6.405 -6.422 1.00 0.00 O ATOM 512 CB ILE A 205 4.058 7.611 -4.040 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.654 8.833 -3.215 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.206 6.878 -3.335 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.261 8.408 -1.801 1.00 0.00 C ATOM 0 H ILE A 205 2.555 8.922 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 205 5.428 8.678 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 205 3.215 6.928 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.481 9.542 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.819 9.345 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.873 6.539 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.510 6.018 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.052 7.555 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.975 9.287 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.420 7.716 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.107 7.917 -1.320 1.00 0.00 H new ATOM 527 N THR A 206 3.756 6.378 -6.957 1.00 0.00 N ATOM 528 CA THR A 206 3.918 5.187 -7.845 1.00 0.00 C ATOM 529 C THR A 206 3.085 5.373 -9.121 1.00 0.00 C ATOM 530 O THR A 206 1.878 5.418 -9.085 1.00 0.00 O ATOM 531 CB THR A 206 3.419 3.955 -7.086 1.00 0.00 C ATOM 532 OG1 THR A 206 2.128 4.222 -6.552 1.00 0.00 O ATOM 533 CG2 THR A 206 4.384 3.620 -5.948 1.00 0.00 C ATOM 0 H THR A 206 2.806 6.744 -6.901 1.00 0.00 H new ATOM 0 HA THR A 206 4.965 5.066 -8.122 1.00 0.00 H new ATOM 0 HB THR A 206 3.365 3.108 -7.769 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.602 4.729 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.023 2.742 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.373 3.414 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.445 4.465 -5.262 1.00 0.00 H new ATOM 541 N LYS A 207 3.728 5.475 -10.250 1.00 0.00 N ATOM 542 CA LYS A 207 2.981 5.660 -11.530 1.00 0.00 C ATOM 543 C LYS A 207 2.404 4.326 -12.006 1.00 0.00 C ATOM 544 O LYS A 207 2.268 4.088 -13.190 1.00 0.00 O ATOM 545 CB LYS A 207 3.918 6.223 -12.605 1.00 0.00 C ATOM 546 CG LYS A 207 4.296 7.663 -12.254 1.00 0.00 C ATOM 547 CD LYS A 207 5.108 8.275 -13.399 1.00 0.00 C ATOM 548 CE LYS A 207 5.546 9.690 -13.012 1.00 0.00 C ATOM 549 NZ LYS A 207 4.347 10.571 -12.918 1.00 0.00 N ATOM 0 H LYS A 207 4.743 5.438 -10.344 1.00 0.00 H new ATOM 0 HA LYS A 207 2.164 6.360 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.815 5.608 -12.678 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.430 6.192 -13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.397 8.253 -12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.877 7.683 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.981 7.657 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.509 8.304 -14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.073 9.671 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.242 10.083 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 4.645 11.567 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 3.712 10.380 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 3.846 10.382 -12.026 1.00 0.00 H new ATOM 563 N GLN A 208 2.064 3.448 -11.098 1.00 0.00 N ATOM 564 CA GLN A 208 1.495 2.130 -11.511 1.00 0.00 C ATOM 565 C GLN A 208 -0.022 2.274 -11.719 1.00 0.00 C ATOM 566 O GLN A 208 -0.652 3.102 -11.092 1.00 0.00 O ATOM 567 CB GLN A 208 1.766 1.109 -10.408 1.00 0.00 C ATOM 568 CG GLN A 208 3.279 0.923 -10.267 1.00 0.00 C ATOM 569 CD GLN A 208 3.596 0.268 -8.925 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.208 -0.857 -8.675 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.278 0.941 -8.038 1.00 0.00 N ATOM 0 H GLN A 208 2.155 3.586 -10.091 1.00 0.00 H new ATOM 0 HA GLN A 208 1.956 1.799 -12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.338 1.450 -9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.290 0.158 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.656 0.305 -11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.782 1.887 -10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.602 1.884 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.487 0.523 -7.131 1.00 0.00 H new ATOM 580 N PRO A 209 -0.616 1.485 -12.590 1.00 0.00 N ATOM 581 CA PRO A 209 -2.084 1.561 -12.857 1.00 0.00 C ATOM 582 C PRO A 209 -2.919 1.672 -11.575 1.00 0.00 C ATOM 583 O PRO A 209 -2.761 0.903 -10.648 1.00 0.00 O ATOM 584 CB PRO A 209 -2.388 0.244 -13.582 1.00 0.00 C ATOM 585 CG PRO A 209 -1.111 -0.124 -14.273 1.00 0.00 C ATOM 586 CD PRO A 209 0.031 0.443 -13.416 1.00 0.00 C ATOM 0 HA PRO A 209 -2.339 2.451 -13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.694 -0.531 -12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.202 0.366 -14.297 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.021 -1.206 -14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.082 0.291 -15.281 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.486 -0.330 -12.797 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.824 0.862 -14.036 1.00 0.00 H new ATOM 594 N VAL A 210 -3.818 2.621 -11.526 1.00 0.00 N ATOM 595 CA VAL A 210 -4.674 2.776 -10.321 1.00 0.00 C ATOM 596 C VAL A 210 -5.435 1.483 -10.080 1.00 0.00 C ATOM 597 O VAL A 210 -5.534 1.005 -8.970 1.00 0.00 O ATOM 598 CB VAL A 210 -5.663 3.923 -10.539 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.886 5.182 -10.888 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.626 3.587 -11.680 1.00 0.00 C ATOM 0 H VAL A 210 -3.994 3.294 -12.272 1.00 0.00 H new ATOM 0 HA VAL A 210 -4.051 3.000 -9.455 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.241 4.077 -9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.581 6.007 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.209 5.430 -10.071 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.310 5.014 -11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.323 4.413 -11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -6.061 3.427 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.181 2.682 -11.433 1.00 0.00 H new ATOM 610 N VAL A 211 -5.969 0.908 -11.115 1.00 0.00 N ATOM 611 CA VAL A 211 -6.728 -0.349 -10.940 1.00 0.00 C ATOM 612 C VAL A 211 -5.879 -1.356 -10.170 1.00 0.00 C ATOM 613 O VAL A 211 -6.375 -2.090 -9.349 1.00 0.00 O ATOM 614 CB VAL A 211 -7.099 -0.926 -12.309 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.044 0.032 -13.036 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.831 -1.126 -13.147 1.00 0.00 C ATOM 0 H VAL A 211 -5.912 1.255 -12.072 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.640 -0.143 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.596 -1.886 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.305 -0.383 -14.009 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.950 0.168 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.552 0.995 -13.172 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.099 -1.537 -14.120 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.330 -0.168 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.161 -1.816 -12.634 1.00 0.00 H new ATOM 626 N TYR A 212 -4.603 -1.396 -10.419 1.00 0.00 N ATOM 627 CA TYR A 212 -3.744 -2.370 -9.680 1.00 0.00 C ATOM 628 C TYR A 212 -3.566 -1.881 -8.240 1.00 0.00 C ATOM 629 O TYR A 212 -3.674 -2.637 -7.294 1.00 0.00 O ATOM 630 CB TYR A 212 -2.383 -2.489 -10.374 1.00 0.00 C ATOM 631 CG TYR A 212 -1.535 -3.540 -9.686 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.701 -4.902 -9.996 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.577 -3.152 -8.745 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.903 -5.868 -9.359 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.215 -4.115 -8.111 1.00 0.00 C ATOM 636 CZ TYR A 212 0.052 -5.472 -8.418 1.00 0.00 C ATOM 637 OH TYR A 212 0.838 -6.417 -7.792 1.00 0.00 O ATOM 0 H TYR A 212 -4.117 -0.805 -11.094 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.216 -3.352 -9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.523 -2.753 -11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.871 -1.527 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.441 -5.205 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.448 -2.106 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.027 -6.914 -9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 212 0.953 -3.812 -7.384 1.00 0.00 H new ATOM 0 HH TYR A 212 1.566 -6.685 -8.391 1.00 0.00 H new ATOM 647 N LEU A 213 -3.312 -0.612 -8.076 1.00 0.00 N ATOM 648 CA LEU A 213 -3.143 -0.048 -6.709 1.00 0.00 C ATOM 649 C LEU A 213 -4.458 -0.172 -5.937 1.00 0.00 C ATOM 650 O LEU A 213 -4.475 -0.514 -4.772 1.00 0.00 O ATOM 651 CB LEU A 213 -2.770 1.433 -6.820 1.00 0.00 C ATOM 652 CG LEU A 213 -1.354 1.580 -7.398 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.149 3.028 -7.860 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.297 1.226 -6.334 1.00 0.00 C ATOM 0 H LEU A 213 -3.214 0.062 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.358 -0.594 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.487 1.950 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.821 1.903 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.242 0.898 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.146 3.140 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.885 3.273 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.270 3.701 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.700 1.336 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.402 1.895 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.440 0.196 -6.007 1.00 0.00 H new ATOM 666 N LYS A 214 -5.561 0.119 -6.575 1.00 0.00 N ATOM 667 CA LYS A 214 -6.871 0.028 -5.868 1.00 0.00 C ATOM 668 C LYS A 214 -7.102 -1.410 -5.391 1.00 0.00 C ATOM 669 O LYS A 214 -7.599 -1.639 -4.308 1.00 0.00 O ATOM 670 CB LYS A 214 -8.007 0.452 -6.801 1.00 0.00 C ATOM 671 CG LYS A 214 -7.933 1.966 -7.064 1.00 0.00 C ATOM 672 CD LYS A 214 -9.256 2.453 -7.671 1.00 0.00 C ATOM 673 CE LYS A 214 -9.470 1.805 -9.041 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.563 2.516 -9.765 1.00 0.00 N ATOM 0 H LYS A 214 -5.611 0.414 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.854 0.697 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.938 -0.093 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.969 0.198 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.732 2.497 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.108 2.187 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.084 2.204 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.243 3.538 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.549 1.846 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.725 0.752 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.707 2.075 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.442 2.455 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.303 3.515 -9.892 1.00 0.00 H new ATOM 688 N GLU A 215 -6.747 -2.383 -6.186 1.00 0.00 N ATOM 689 CA GLU A 215 -6.958 -3.800 -5.766 1.00 0.00 C ATOM 690 C GLU A 215 -6.183 -4.053 -4.476 1.00 0.00 C ATOM 691 O GLU A 215 -6.662 -4.716 -3.577 1.00 0.00 O ATOM 692 CB GLU A 215 -6.465 -4.741 -6.870 1.00 0.00 C ATOM 693 CG GLU A 215 -7.434 -4.679 -8.054 1.00 0.00 C ATOM 694 CD GLU A 215 -6.807 -5.354 -9.278 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.589 -5.410 -9.343 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.556 -5.804 -10.131 1.00 0.00 O ATOM 0 H GLU A 215 -6.322 -2.260 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.019 -3.985 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.463 -4.453 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.399 -5.761 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.370 -5.174 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.675 -3.641 -8.284 1.00 0.00 H new ATOM 703 N ILE A 216 -5.000 -3.521 -4.363 1.00 0.00 N ATOM 704 CA ILE A 216 -4.222 -3.724 -3.108 1.00 0.00 C ATOM 705 C ILE A 216 -4.894 -2.952 -1.977 1.00 0.00 C ATOM 706 O ILE A 216 -5.036 -3.437 -0.872 1.00 0.00 O ATOM 707 CB ILE A 216 -2.788 -3.207 -3.289 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.059 -4.086 -4.312 1.00 0.00 C ATOM 709 CG2 ILE A 216 -2.043 -3.244 -1.941 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.736 -3.426 -4.710 1.00 0.00 C ATOM 0 H ILE A 216 -4.539 -2.958 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.191 -4.787 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.815 -2.178 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.871 -5.073 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.684 -4.230 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -1.026 -2.876 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.564 -2.614 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -2.011 -4.269 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.221 -4.054 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.935 -2.449 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.109 -3.305 -3.826 1.00 0.00 H new ATOM 722 N LEU A 217 -5.306 -1.749 -2.248 1.00 0.00 N ATOM 723 CA LEU A 217 -5.970 -0.929 -1.199 1.00 0.00 C ATOM 724 C LEU A 217 -7.343 -1.524 -0.866 1.00 0.00 C ATOM 725 O LEU A 217 -7.765 -1.550 0.269 1.00 0.00 O ATOM 726 CB LEU A 217 -6.136 0.496 -1.725 1.00 0.00 C ATOM 727 CG LEU A 217 -4.751 1.127 -1.957 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.914 2.438 -2.732 1.00 0.00 C ATOM 729 CD2 LEU A 217 -4.056 1.416 -0.612 1.00 0.00 C ATOM 0 H LEU A 217 -5.211 -1.294 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.363 -0.922 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.703 0.487 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.704 1.094 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.139 0.428 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.935 2.887 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.388 2.236 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.536 3.125 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -3.078 1.862 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.665 2.106 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.932 0.485 -0.059 1.00 0.00 H new ATOM 741 N LYS A 218 -8.048 -2.003 -1.846 1.00 0.00 N ATOM 742 CA LYS A 218 -9.386 -2.590 -1.572 1.00 0.00 C ATOM 743 C LYS A 218 -9.251 -3.772 -0.604 1.00 0.00 C ATOM 744 O LYS A 218 -10.107 -3.996 0.229 1.00 0.00 O ATOM 745 CB LYS A 218 -10.013 -3.071 -2.885 1.00 0.00 C ATOM 746 CG LYS A 218 -10.539 -1.869 -3.679 1.00 0.00 C ATOM 747 CD LYS A 218 -10.903 -2.298 -5.105 1.00 0.00 C ATOM 748 CE LYS A 218 -11.929 -3.431 -5.063 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.961 -3.128 -4.030 1.00 0.00 N ATOM 0 H LYS A 218 -7.758 -2.014 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 218 -10.024 -1.830 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.274 -3.613 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.827 -3.766 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.414 -1.450 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.783 -1.084 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.308 -1.450 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.009 -2.625 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.399 -3.547 -6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.435 -4.375 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.839 -3.637 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.617 -3.430 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.148 -2.105 -4.015 1.00 0.00 H new ATOM 763 N GLU A 219 -8.204 -4.544 -0.718 1.00 0.00 N ATOM 764 CA GLU A 219 -8.056 -5.719 0.188 1.00 0.00 C ATOM 765 C GLU A 219 -7.578 -5.300 1.587 1.00 0.00 C ATOM 766 O GLU A 219 -8.205 -5.625 2.576 1.00 0.00 O ATOM 767 CB GLU A 219 -7.047 -6.694 -0.417 1.00 0.00 C ATOM 768 CG GLU A 219 -7.661 -7.343 -1.658 1.00 0.00 C ATOM 769 CD GLU A 219 -6.629 -8.247 -2.333 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.541 -8.373 -1.795 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.946 -8.799 -3.372 1.00 0.00 O ATOM 0 H GLU A 219 -7.451 -4.414 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 219 -9.032 -6.192 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -6.129 -6.169 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.778 -7.458 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.540 -7.924 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.995 -6.574 -2.354 1.00 0.00 H new ATOM 778 N ILE A 220 -6.468 -4.602 1.686 1.00 0.00 N ATOM 779 CA ILE A 220 -5.946 -4.191 3.038 1.00 0.00 C ATOM 780 C ILE A 220 -6.179 -2.697 3.293 1.00 0.00 C ATOM 781 O ILE A 220 -5.909 -2.203 4.366 1.00 0.00 O ATOM 782 CB ILE A 220 -4.436 -4.487 3.117 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.662 -3.669 2.064 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.201 -5.979 2.868 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.159 -3.727 2.355 1.00 0.00 C ATOM 0 H ILE A 220 -5.901 -4.299 0.894 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.484 -4.760 3.797 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.077 -4.209 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.863 -4.062 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.003 -2.634 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.134 -6.193 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.727 -6.561 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.574 -6.246 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.621 -3.146 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.964 -3.313 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.822 -4.763 2.322 1.00 0.00 H new ATOM 797 N GLY A 221 -6.641 -1.963 2.318 1.00 0.00 N ATOM 798 CA GLY A 221 -6.847 -0.492 2.529 1.00 0.00 C ATOM 799 C GLY A 221 -8.252 -0.201 3.067 1.00 0.00 C ATOM 800 O GLY A 221 -9.041 -1.091 3.309 1.00 0.00 O ATOM 0 H GLY A 221 -6.885 -2.309 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.101 -0.114 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.698 0.037 1.588 1.00 0.00 H new ATOM 804 N VAL A 222 -8.559 1.060 3.239 1.00 0.00 N ATOM 805 CA VAL A 222 -9.901 1.483 3.747 1.00 0.00 C ATOM 806 C VAL A 222 -10.291 2.747 2.980 1.00 0.00 C ATOM 807 O VAL A 222 -9.515 3.239 2.203 1.00 0.00 O ATOM 808 CB VAL A 222 -9.812 1.798 5.253 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.183 2.258 5.778 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.349 0.544 6.014 1.00 0.00 C ATOM 0 H VAL A 222 -7.921 1.832 3.044 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.639 0.694 3.604 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.091 2.600 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.110 2.478 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.495 3.155 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.917 1.467 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.286 0.767 7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.064 -0.263 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.369 0.238 5.649 1.00 0.00 H new ATOM 820 N GLN A 223 -11.471 3.280 3.177 1.00 0.00 N ATOM 821 CA GLN A 223 -11.871 4.523 2.431 1.00 0.00 C ATOM 822 C GLN A 223 -12.634 5.460 3.369 1.00 0.00 C ATOM 823 O GLN A 223 -13.292 5.030 4.294 1.00 0.00 O ATOM 824 CB GLN A 223 -12.763 4.147 1.238 1.00 0.00 C ATOM 825 CG GLN A 223 -13.230 5.414 0.500 1.00 0.00 C ATOM 826 CD GLN A 223 -12.018 6.237 0.048 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.304 5.843 -0.850 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.757 7.374 0.633 1.00 0.00 N ATOM 0 H GLN A 223 -12.175 2.914 3.818 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.977 5.027 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.213 3.501 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.627 3.581 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.835 5.139 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.863 6.013 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.355 7.708 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.955 7.929 0.335 1.00 0.00 H new ATOM 837 N ASN A 224 -12.541 6.750 3.141 1.00 0.00 N ATOM 838 CA ASN A 224 -13.255 7.716 4.023 1.00 0.00 C ATOM 839 C ASN A 224 -13.614 8.973 3.230 1.00 0.00 C ATOM 840 O ASN A 224 -12.764 9.778 2.897 1.00 0.00 O ATOM 841 CB ASN A 224 -12.348 8.136 5.188 1.00 0.00 C ATOM 842 CG ASN A 224 -11.529 6.940 5.664 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.902 6.262 6.601 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.413 6.656 5.049 1.00 0.00 N ATOM 0 H ASN A 224 -12.002 7.170 2.384 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.156 7.233 4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.684 8.940 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -12.951 8.525 6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.850 5.862 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.104 7.228 4.263 1.00 0.00 H new ATOM 851 N VAL A 225 -14.871 9.160 2.967 1.00 0.00 N ATOM 852 CA VAL A 225 -15.315 10.380 2.247 1.00 0.00 C ATOM 853 C VAL A 225 -15.561 11.448 3.307 1.00 0.00 C ATOM 854 O VAL A 225 -16.056 11.156 4.378 1.00 0.00 O ATOM 855 CB VAL A 225 -16.615 10.087 1.509 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.380 8.967 0.495 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.667 9.655 2.531 1.00 0.00 C ATOM 0 H VAL A 225 -15.618 8.514 3.222 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.569 10.707 1.522 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.960 10.976 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.309 8.755 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.617 9.277 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.046 8.069 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.605 9.441 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.324 8.760 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.822 10.456 3.254 1.00 0.00 H new ATOM 867 N LYS A 226 -15.186 12.665 3.045 1.00 0.00 N ATOM 868 CA LYS A 226 -15.352 13.749 4.064 1.00 0.00 C ATOM 869 C LYS A 226 -16.149 14.919 3.484 1.00 0.00 C ATOM 870 O LYS A 226 -16.656 14.845 2.384 1.00 0.00 O ATOM 871 CB LYS A 226 -13.956 14.186 4.478 1.00 0.00 C ATOM 872 CG LYS A 226 -13.251 12.955 5.062 1.00 0.00 C ATOM 873 CD LYS A 226 -11.856 13.321 5.596 1.00 0.00 C ATOM 874 CE LYS A 226 -11.492 12.425 6.786 1.00 0.00 C ATOM 875 NZ LYS A 226 -10.125 12.767 7.278 1.00 0.00 N ATOM 0 H LYS A 226 -14.768 12.964 2.164 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.910 13.389 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.405 14.575 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.006 14.987 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.854 12.534 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.161 12.185 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.115 13.207 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.838 14.367 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.220 12.555 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.530 11.377 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -9.884 12.157 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -9.434 12.621 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.103 13.762 7.578 1.00 0.00 H new ATOM 889 N GLY A 227 -16.288 15.986 4.240 1.00 0.00 N ATOM 890 CA GLY A 227 -17.076 17.174 3.771 1.00 0.00 C ATOM 891 C GLY A 227 -16.888 17.394 2.263 1.00 0.00 C ATOM 892 O GLY A 227 -17.743 17.052 1.470 1.00 0.00 O ATOM 0 H GLY A 227 -15.885 16.085 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.133 17.025 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.759 18.064 4.315 1.00 0.00 H new ATOM 896 N ILE A 228 -15.779 17.951 1.861 1.00 0.00 N ATOM 897 CA ILE A 228 -15.541 18.181 0.404 1.00 0.00 C ATOM 898 C ILE A 228 -15.327 16.833 -0.302 1.00 0.00 C ATOM 899 O ILE A 228 -14.905 16.779 -1.440 1.00 0.00 O ATOM 900 CB ILE A 228 -14.320 19.095 0.221 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.060 18.411 0.763 1.00 0.00 C ATOM 902 CG2 ILE A 228 -14.555 20.399 0.985 1.00 0.00 C ATOM 903 CD1 ILE A 228 -11.830 19.278 0.470 1.00 0.00 C ATOM 0 H ILE A 228 -15.026 18.258 2.477 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.408 18.669 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.182 19.301 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.156 18.251 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -12.942 17.430 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -13.693 21.054 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.445 20.893 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.695 20.180 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -10.938 18.786 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -11.730 19.415 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -11.947 20.249 0.950 1.00 0.00 H new ATOM 915 N HIS A 229 -15.603 15.753 0.388 1.00 0.00 N ATOM 916 CA HIS A 229 -15.426 14.380 -0.184 1.00 0.00 C ATOM 917 C HIS A 229 -13.937 14.082 -0.360 1.00 0.00 C ATOM 918 O HIS A 229 -13.478 13.794 -1.449 1.00 0.00 O ATOM 919 CB HIS A 229 -16.141 14.240 -1.538 1.00 0.00 C ATOM 920 CG HIS A 229 -17.554 14.744 -1.426 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.508 14.112 -0.643 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.189 15.814 -2.003 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.656 14.804 -0.772 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.516 15.851 -1.589 1.00 0.00 N ATOM 0 H HIS A 229 -15.952 15.766 1.346 1.00 0.00 H new ATOM 0 HA HIS A 229 -15.868 13.666 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.605 14.803 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.142 13.196 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -17.728 16.521 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.579 14.544 -0.275 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.229 16.531 -1.853 1.00 0.00 H new ATOM 932 N LYS A 230 -13.176 14.132 0.705 1.00 0.00 N ATOM 933 CA LYS A 230 -11.721 13.832 0.591 1.00 0.00 C ATOM 934 C LYS A 230 -11.538 12.316 0.608 1.00 0.00 C ATOM 935 O LYS A 230 -11.753 11.664 1.611 1.00 0.00 O ATOM 936 CB LYS A 230 -10.952 14.448 1.773 1.00 0.00 C ATOM 937 CG LYS A 230 -11.121 15.970 1.774 1.00 0.00 C ATOM 938 CD LYS A 230 -10.173 16.618 2.804 1.00 0.00 C ATOM 939 CE LYS A 230 -10.582 16.217 4.228 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.049 17.205 5.215 1.00 0.00 N ATOM 0 H LYS A 230 -13.500 14.367 1.643 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.334 14.256 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.319 14.033 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -9.895 14.192 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.913 16.366 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.154 16.227 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.147 16.306 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.200 17.703 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.668 16.168 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -10.201 15.222 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.332 16.923 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.011 17.232 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.433 18.148 5.004 1.00 0.00 H new ATOM 954 N ASN A 231 -11.146 11.747 -0.498 1.00 0.00 N ATOM 955 CA ASN A 231 -10.954 10.273 -0.545 1.00 0.00 C ATOM 956 C ASN A 231 -9.649 9.921 0.156 1.00 0.00 C ATOM 957 O ASN A 231 -8.589 10.226 -0.337 1.00 0.00 O ATOM 958 CB ASN A 231 -10.864 9.811 -2.004 1.00 0.00 C ATOM 959 CG ASN A 231 -11.933 10.518 -2.833 1.00 0.00 C ATOM 960 OD1 ASN A 231 -13.101 10.200 -2.741 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.573 11.477 -3.642 1.00 0.00 N ATOM 0 H ASN A 231 -10.951 12.239 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.795 9.783 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.875 10.031 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.999 8.731 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.274 11.963 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.590 11.740 -3.715 1.00 0.00 H new ATOM 968 N THR A 232 -9.708 9.274 1.288 1.00 0.00 N ATOM 969 CA THR A 232 -8.445 8.895 2.004 1.00 0.00 C ATOM 970 C THR A 232 -8.415 7.390 2.205 1.00 0.00 C ATOM 971 O THR A 232 -9.409 6.780 2.555 1.00 0.00 O ATOM 972 CB THR A 232 -8.394 9.582 3.366 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.554 9.247 4.104 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.320 11.092 3.171 1.00 0.00 C ATOM 0 H THR A 232 -10.571 8.990 1.751 1.00 0.00 H new ATOM 0 HA THR A 232 -7.587 9.209 1.409 1.00 0.00 H new ATOM 0 HB THR A 232 -7.512 9.249 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.873 10.037 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.284 11.583 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.423 11.342 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.200 11.432 2.626 1.00 0.00 H new ATOM 982 N TRP A 233 -7.272 6.789 1.984 1.00 0.00 N ATOM 983 CA TRP A 233 -7.131 5.312 2.156 1.00 0.00 C ATOM 984 C TRP A 233 -6.199 5.022 3.329 1.00 0.00 C ATOM 985 O TRP A 233 -5.228 5.724 3.546 1.00 0.00 O ATOM 986 CB TRP A 233 -6.564 4.692 0.869 1.00 0.00 C ATOM 987 CG TRP A 233 -7.617 4.712 -0.196 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.874 5.757 -1.014 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.560 3.660 -0.568 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.916 5.417 -1.860 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.372 4.138 -1.623 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.791 2.353 -0.097 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.376 3.350 -2.187 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.803 1.560 -0.662 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.593 2.058 -1.704 1.00 0.00 C ATOM 0 H TRP A 233 -6.421 7.266 1.688 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.109 4.875 2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.687 5.249 0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.240 3.668 1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.352 6.702 -1.009 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.300 6.038 -2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -8.185 1.958 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.982 3.737 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.972 0.560 -0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.370 1.444 -2.134 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.495 3.989 4.091 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.628 3.628 5.269 1.00 0.00 C ATOM 1008 C GLU A 234 -5.345 2.123 5.248 1.00 0.00 C ATOM 1009 O GLU A 234 -6.241 1.322 5.078 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.356 3.929 6.587 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.626 5.422 6.748 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.546 5.616 7.957 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -7.077 5.459 9.070 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -8.710 5.906 7.746 1.00 0.00 O ATOM 0 H GLU A 234 -7.300 3.379 3.949 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.709 4.210 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.299 3.382 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.756 3.574 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.691 5.964 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.092 5.823 5.848 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.119 1.722 5.454 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.825 0.258 5.473 1.00 0.00 C ATOM 1023 C LEU A 235 -4.486 -0.347 6.707 1.00 0.00 C ATOM 1024 O LEU A 235 -4.168 0.009 7.820 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.313 0.019 5.551 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.621 0.542 4.288 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.110 0.323 4.423 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.144 -0.202 3.042 1.00 0.00 C ATOM 0 H LEU A 235 -3.318 2.334 5.608 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.208 -0.202 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.905 0.518 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.113 -1.046 5.668 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.835 1.604 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.392 0.692 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.259 0.862 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.094 -0.741 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.643 0.181 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.941 -1.268 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.219 -0.045 2.949 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.405 -1.256 6.521 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.090 -1.874 7.689 1.00 0.00 C ATOM 1042 C LYS A 236 -5.040 -2.511 8.625 1.00 0.00 C ATOM 1043 O LYS A 236 -4.431 -3.502 8.269 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.026 -2.982 7.186 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.227 -2.359 6.468 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.142 -3.459 5.894 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.113 -3.958 6.971 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.010 -2.842 7.384 1.00 0.00 N ATOM 0 H LYS A 236 -5.710 -1.597 5.609 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.653 -1.111 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.489 -3.645 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.367 -3.591 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.790 -1.735 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.881 -1.709 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.701 -3.070 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -8.538 -4.289 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.703 -4.790 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -9.558 -4.331 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.923 -3.228 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.571 -2.315 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.163 -2.203 6.578 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.830 -1.984 9.815 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.849 -2.568 10.771 1.00 0.00 C ATOM 1064 C PRO A 237 -4.476 -3.735 11.526 1.00 0.00 C ATOM 1065 O PRO A 237 -3.852 -4.394 12.334 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.533 -1.406 11.718 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.777 -0.565 11.738 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.500 -0.798 10.396 1.00 0.00 C ATOM 0 HA PRO A 237 -2.958 -2.965 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.286 -1.768 12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.676 -0.833 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.418 -0.844 12.575 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.528 0.489 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.565 -0.977 10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.411 0.069 9.741 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.733 -3.946 11.280 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.488 -5.014 11.983 1.00 0.00 C ATOM 1078 C GLU A 238 -5.824 -6.381 11.830 1.00 0.00 C ATOM 1079 O GLU A 238 -5.709 -7.115 12.792 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.893 -5.079 11.383 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.663 -3.804 11.736 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.154 -4.022 11.485 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.480 -4.871 10.673 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.943 -3.333 12.109 1.00 0.00 O ATOM 0 H GLU A 238 -6.282 -3.412 10.606 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.515 -4.774 13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.832 -5.191 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.422 -5.952 11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.494 -3.542 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.301 -2.970 11.135 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.414 -6.755 10.643 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.792 -8.109 10.458 1.00 0.00 C ATOM 1093 C TYR A 239 -3.488 -8.032 9.666 1.00 0.00 C ATOM 1094 O TYR A 239 -3.077 -9.003 9.065 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.773 -9.016 9.724 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.018 -8.489 8.335 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.947 -7.467 8.140 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.325 -9.030 7.245 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.189 -6.977 6.856 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.571 -8.546 5.955 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.503 -7.519 5.759 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.754 -7.049 4.485 1.00 0.00 O ATOM 0 H TYR A 239 -5.481 -6.188 9.798 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.562 -8.511 11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.376 -10.030 9.673 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.713 -9.069 10.273 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.480 -7.054 8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.603 -9.818 7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.904 -6.181 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.042 -8.964 5.111 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.570 -6.506 4.492 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.808 -6.920 9.665 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.523 -6.880 8.911 1.00 0.00 C ATOM 1114 C ARG A 240 -0.469 -7.665 9.682 1.00 0.00 C ATOM 1115 O ARG A 240 0.252 -7.130 10.500 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.051 -5.427 8.702 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.745 -4.806 7.468 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.971 -5.149 6.180 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.381 -6.500 5.705 1.00 0.00 N ATOM 1120 CZ ARG A 240 -1.044 -6.907 4.516 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.334 -6.137 3.739 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.417 -8.086 4.108 1.00 0.00 N ATOM 0 H ARG A 240 -3.076 -6.058 10.140 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.675 -7.328 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.274 -4.834 9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.031 -5.405 8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.767 -5.177 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.806 -3.724 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.173 -4.404 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.102 -5.128 6.370 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.928 -7.108 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.042 -5.215 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -0.070 -6.457 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.971 -8.686 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -1.155 -8.410 3.177 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.359 -8.935 9.405 1.00 0.00 N ATOM 1137 CA HIS A 241 0.664 -9.754 10.098 1.00 0.00 C ATOM 1138 C HIS A 241 2.027 -9.294 9.582 1.00 0.00 C ATOM 1139 O HIS A 241 3.029 -9.352 10.269 1.00 0.00 O ATOM 1140 CB HIS A 241 0.456 -11.237 9.764 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.910 -11.682 10.223 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.167 -12.060 11.534 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.102 -11.826 9.551 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.465 -12.412 11.606 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.080 -12.288 10.426 1.00 0.00 N ATOM 0 H HIS A 241 -0.934 -9.437 8.729 1.00 0.00 H new ATOM 0 HA HIS A 241 0.594 -9.634 11.179 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.557 -11.394 8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.225 -11.839 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.255 -11.613 8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.950 -12.753 12.508 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.057 -12.489 10.213 1.00 0.00 H new ATOM 1153 N TYR A 242 2.047 -8.825 8.365 1.00 0.00 N ATOM 1154 CA TYR A 242 3.307 -8.334 7.746 1.00 0.00 C ATOM 1155 C TYR A 242 3.594 -6.899 8.216 1.00 0.00 C ATOM 1156 O TYR A 242 2.793 -6.003 8.038 1.00 0.00 O ATOM 1157 CB TYR A 242 3.115 -8.367 6.225 1.00 0.00 C ATOM 1158 CG TYR A 242 4.259 -7.672 5.529 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.470 -8.341 5.324 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.100 -6.356 5.080 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.522 -7.691 4.668 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.148 -5.707 4.429 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.361 -6.373 4.221 1.00 0.00 C ATOM 1164 OH TYR A 242 7.399 -5.732 3.572 1.00 0.00 O ATOM 0 H TYR A 242 1.226 -8.761 7.763 1.00 0.00 H new ATOM 0 HA TYR A 242 4.151 -8.959 8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.049 -9.400 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.174 -7.883 5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.593 -9.356 5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.163 -5.842 5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.458 -8.206 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.024 -4.691 4.085 1.00 0.00 H new ATOM 0 HH TYR A 242 7.111 -4.836 3.299 1.00 0.00 H new ATOM 1174 N GLN A 243 4.742 -6.681 8.808 1.00 0.00 N ATOM 1175 CA GLN A 243 5.103 -5.312 9.293 1.00 0.00 C ATOM 1176 C GLN A 243 6.553 -5.318 9.788 1.00 0.00 C ATOM 1177 O GLN A 243 6.992 -4.411 10.469 1.00 0.00 O ATOM 1178 CB GLN A 243 4.174 -4.891 10.440 1.00 0.00 C ATOM 1179 CG GLN A 243 4.329 -5.860 11.615 1.00 0.00 C ATOM 1180 CD GLN A 243 3.279 -5.540 12.684 1.00 0.00 C ATOM 1181 OE1 GLN A 243 3.597 -5.428 13.851 1.00 0.00 O ATOM 1182 NE2 GLN A 243 2.032 -5.384 12.330 1.00 0.00 N ATOM 0 H GLN A 243 5.449 -7.396 8.977 1.00 0.00 H new ATOM 0 HA GLN A 243 4.993 -4.603 8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.412 -3.876 10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 243 3.139 -4.883 10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 243 4.211 -6.887 11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 243 5.330 -5.778 12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.764 -5.478 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.325 -5.168 13.033 1.00 0.00 H new TER 1191 GLN A 243