USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 347 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 220 THR OG1 : rot -89:sc= -3.35! USER MOD Set 1.2: A 222 HIS :FLIP no HD1:sc= -10.4! C(o=-15!,f=-14!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -6.99! C(o=-7!,f=-16!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -109:sc= -3.35! USER MOD Single : A 223 TYR OH : rot 180:sc= -1.33! USER MOD Single : A 226 ASN : amide:sc= -2.97! C(o=-3!,f=-10!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -0.534 F(o=-1.9,f=-0.53) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -0.0908 K(o=-0.091,f=-0.93) USER MOD Single : A 237 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.7!) USER MOD Single : A 238 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 3.923 -18.129 -4.789 1.00 1.00 N ATOM 2 CA GLY A 198 4.784 -16.964 -5.137 1.00 1.00 C ATOM 3 C GLY A 198 3.941 -15.687 -5.142 1.00 1.00 C ATOM 4 O GLY A 198 3.934 -14.934 -4.188 1.00 1.00 O ATOM 0 HA2 GLY A 198 5.597 -16.872 -4.417 1.00 1.00 H new ATOM 0 HA3 GLY A 198 5.240 -17.115 -6.116 1.00 1.00 H new ATOM 10 N SER A 199 3.229 -15.438 -6.206 1.00 1.00 N ATOM 11 CA SER A 199 2.388 -14.206 -6.269 1.00 1.00 C ATOM 12 C SER A 199 0.935 -14.535 -5.916 1.00 1.00 C ATOM 13 O SER A 199 0.033 -13.774 -6.199 1.00 1.00 O ATOM 14 CB SER A 199 2.492 -13.731 -7.717 1.00 1.00 C ATOM 15 OG SER A 199 1.843 -14.668 -8.567 1.00 1.00 O ATOM 0 H SER A 199 3.192 -16.032 -7.034 1.00 1.00 H new ATOM 0 HA SER A 199 2.720 -13.444 -5.564 1.00 1.00 H new ATOM 0 HB2 SER A 199 2.033 -12.748 -7.823 1.00 1.00 H new ATOM 0 HB3 SER A 199 3.539 -13.627 -8.003 1.00 1.00 H new ATOM 0 HG SER A 199 1.907 -14.365 -9.497 1.00 1.00 H new ATOM 21 N GLU A 200 0.703 -15.663 -5.301 1.00 1.00 N ATOM 22 CA GLU A 200 -0.695 -16.034 -4.932 1.00 1.00 C ATOM 23 C GLU A 200 -1.414 -14.834 -4.314 1.00 1.00 C ATOM 24 O GLU A 200 -2.317 -14.268 -4.897 1.00 1.00 O ATOM 25 CB GLU A 200 -0.553 -17.163 -3.911 1.00 1.00 C ATOM 26 CG GLU A 200 -1.904 -17.853 -3.720 1.00 1.00 C ATOM 27 CD GLU A 200 -2.036 -19.005 -4.718 1.00 1.00 C ATOM 28 OE1 GLU A 200 -1.685 -18.808 -5.870 1.00 1.00 O ATOM 29 OE2 GLU A 200 -2.488 -20.063 -4.314 1.00 1.00 O ATOM 0 H GLU A 200 1.417 -16.342 -5.039 1.00 1.00 H new ATOM 0 HA GLU A 200 -1.282 -16.343 -5.797 1.00 1.00 H new ATOM 0 HB2 GLU A 200 0.190 -17.884 -4.252 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.199 -16.765 -2.960 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -1.991 -18.229 -2.701 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -2.713 -17.137 -3.866 1.00 1.00 H new ATOM 36 N ALA A 201 -1.018 -14.442 -3.137 1.00 1.00 N ATOM 37 CA ALA A 201 -1.674 -13.277 -2.477 1.00 1.00 C ATOM 38 C ALA A 201 -1.331 -11.986 -3.225 1.00 1.00 C ATOM 39 O ALA A 201 -0.464 -11.963 -4.077 1.00 1.00 O ATOM 40 CB ALA A 201 -1.097 -13.247 -1.060 1.00 1.00 C ATOM 0 H ALA A 201 -0.267 -14.878 -2.601 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.761 -13.362 -2.472 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.532 -12.414 -0.508 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.332 -14.182 -0.551 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.015 -13.124 -1.110 1.00 1.00 H new ATOM 46 N ARG A 202 -2.005 -10.912 -2.915 1.00 1.00 N ATOM 47 CA ARG A 202 -1.716 -9.623 -3.610 1.00 1.00 C ATOM 48 C ARG A 202 -0.359 -9.074 -3.165 1.00 1.00 C ATOM 49 O ARG A 202 0.161 -9.439 -2.130 1.00 1.00 O ATOM 50 CB ARG A 202 -2.841 -8.681 -3.181 1.00 1.00 C ATOM 51 CG ARG A 202 -3.783 -8.439 -4.362 1.00 1.00 C ATOM 52 CD ARG A 202 -4.783 -9.592 -4.462 1.00 1.00 C ATOM 53 NE ARG A 202 -5.307 -9.525 -5.854 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.839 -10.584 -6.401 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.282 -11.553 -5.649 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.927 -10.673 -7.699 1.00 1.00 N ATOM 0 H ARG A 202 -2.743 -10.870 -2.212 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.672 -9.739 -4.693 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.392 -9.112 -2.345 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.425 -7.735 -2.834 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.312 -7.495 -4.231 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.211 -8.358 -5.286 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.302 -10.550 -4.267 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.585 -9.484 -3.732 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.250 -8.653 -6.380 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.213 -11.483 -4.634 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.698 -12.381 -6.076 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -5.580 -9.915 -8.287 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -6.343 -11.501 -8.126 1.00 1.00 H new ATOM 70 N GLU A 203 0.218 -8.196 -3.938 1.00 1.00 N ATOM 71 CA GLU A 203 1.539 -7.618 -3.557 1.00 1.00 C ATOM 72 C GLU A 203 1.399 -6.117 -3.299 1.00 1.00 C ATOM 73 O GLU A 203 1.059 -5.354 -4.181 1.00 1.00 O ATOM 74 CB GLU A 203 2.449 -7.877 -4.758 1.00 1.00 C ATOM 75 CG GLU A 203 3.064 -9.272 -4.638 1.00 1.00 C ATOM 76 CD GLU A 203 2.639 -10.122 -5.837 1.00 1.00 C ATOM 77 OE1 GLU A 203 1.449 -10.194 -6.094 1.00 1.00 O ATOM 78 OE2 GLU A 203 3.512 -10.685 -6.477 1.00 1.00 O ATOM 0 H GLU A 203 -0.168 -7.853 -4.818 1.00 1.00 H new ATOM 0 HA GLU A 203 1.938 -8.062 -2.645 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.879 -7.797 -5.684 1.00 1.00 H new ATOM 0 HB3 GLU A 203 3.235 -7.123 -4.802 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.151 -9.200 -4.597 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.741 -9.745 -3.711 1.00 1.00 H new ATOM 85 N CYS A 204 1.655 -5.690 -2.094 1.00 1.00 N ATOM 86 CA CYS A 204 1.532 -4.242 -1.772 1.00 1.00 C ATOM 87 C CYS A 204 2.286 -3.392 -2.794 1.00 1.00 C ATOM 88 O CYS A 204 3.498 -3.435 -2.883 1.00 1.00 O ATOM 89 CB CYS A 204 2.160 -4.099 -0.393 1.00 1.00 C ATOM 90 SG CYS A 204 2.001 -2.393 0.168 1.00 1.00 S ATOM 0 H CYS A 204 1.945 -6.283 -1.317 1.00 1.00 H new ATOM 0 HA CYS A 204 0.496 -3.904 -1.794 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.671 -4.772 0.312 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.211 -4.384 -0.429 1.00 1.00 H new ATOM 95 N VAL A 205 1.575 -2.612 -3.557 1.00 1.00 N ATOM 96 CA VAL A 205 2.241 -1.742 -4.567 1.00 1.00 C ATOM 97 C VAL A 205 3.365 -0.933 -3.914 1.00 1.00 C ATOM 98 O VAL A 205 4.247 -0.425 -4.580 1.00 1.00 O ATOM 99 CB VAL A 205 1.135 -0.812 -5.067 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.806 0.209 -3.977 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.611 -0.078 -6.322 1.00 1.00 C ATOM 0 H VAL A 205 0.558 -2.538 -3.526 1.00 1.00 H new ATOM 0 HA VAL A 205 2.694 -2.316 -5.375 1.00 1.00 H new ATOM 0 HB VAL A 205 0.246 -1.397 -5.305 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.018 0.875 -4.328 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.469 -0.312 -3.081 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.697 0.792 -3.744 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.822 0.585 -6.677 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.498 0.509 -6.086 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.852 -0.804 -7.098 1.00 1.00 H new ATOM 111 N ASN A 206 3.330 -0.792 -2.614 1.00 1.00 N ATOM 112 CA ASN A 206 4.386 0.006 -1.924 1.00 1.00 C ATOM 113 C ASN A 206 5.562 -0.870 -1.483 1.00 1.00 C ATOM 114 O ASN A 206 6.690 -0.633 -1.867 1.00 1.00 O ATOM 115 CB ASN A 206 3.691 0.609 -0.702 1.00 1.00 C ATOM 116 CG ASN A 206 3.104 1.975 -1.064 1.00 1.00 C ATOM 117 OD1 ASN A 206 1.984 2.281 -0.708 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.821 2.819 -1.757 1.00 1.00 N ATOM 0 H ASN A 206 2.619 -1.193 -2.003 1.00 1.00 H new ATOM 0 HA ASN A 206 4.804 0.763 -2.588 1.00 1.00 H new ATOM 0 HB2 ASN A 206 2.901 -0.057 -0.356 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.402 0.714 0.118 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.440 3.734 -1.998 1.00 1.00 H new ATOM 0 HD22 ASN A 206 4.762 2.563 -2.057 1.00 1.00 H new ATOM 125 N CYS A 207 5.331 -1.859 -0.658 1.00 1.00 N ATOM 126 CA CYS A 207 6.464 -2.692 -0.189 1.00 1.00 C ATOM 127 C CYS A 207 6.329 -4.154 -0.655 1.00 1.00 C ATOM 128 O CYS A 207 7.207 -4.964 -0.431 1.00 1.00 O ATOM 129 CB CYS A 207 6.415 -2.563 1.335 1.00 1.00 C ATOM 130 SG CYS A 207 5.067 -3.555 2.018 1.00 1.00 S ATOM 0 H CYS A 207 4.414 -2.119 -0.295 1.00 1.00 H new ATOM 0 HA CYS A 207 7.420 -2.364 -0.597 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.364 -2.886 1.763 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.280 -1.517 1.612 1.00 1.00 H new ATOM 135 N GLY A 208 5.259 -4.493 -1.326 1.00 1.00 N ATOM 136 CA GLY A 208 5.102 -5.895 -1.832 1.00 1.00 C ATOM 137 C GLY A 208 4.681 -6.837 -0.701 1.00 1.00 C ATOM 138 O GLY A 208 4.670 -8.041 -0.857 1.00 1.00 O ATOM 0 H GLY A 208 4.487 -3.864 -1.547 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.357 -5.918 -2.627 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.042 -6.237 -2.266 1.00 1.00 H new ATOM 142 N ALA A 209 4.332 -6.302 0.429 1.00 1.00 N ATOM 143 CA ALA A 209 3.908 -7.163 1.568 1.00 1.00 C ATOM 144 C ALA A 209 2.850 -8.167 1.103 1.00 1.00 C ATOM 145 O ALA A 209 1.789 -7.794 0.642 1.00 1.00 O ATOM 146 CB ALA A 209 3.315 -6.193 2.589 1.00 1.00 C ATOM 0 H ALA A 209 4.321 -5.300 0.617 1.00 1.00 H new ATOM 0 HA ALA A 209 4.733 -7.741 1.984 1.00 1.00 H new ATOM 0 HB1 ALA A 209 2.976 -6.748 3.464 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.075 -5.471 2.889 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.471 -5.667 2.144 1.00 1.00 H new ATOM 152 N THR A 210 3.129 -9.434 1.220 1.00 1.00 N ATOM 153 CA THR A 210 2.140 -10.457 0.783 1.00 1.00 C ATOM 154 C THR A 210 1.464 -11.092 2.000 1.00 1.00 C ATOM 155 O THR A 210 0.476 -11.789 1.881 1.00 1.00 O ATOM 156 CB THR A 210 2.959 -11.498 0.020 1.00 1.00 C ATOM 157 OG1 THR A 210 4.038 -10.852 -0.643 1.00 1.00 O ATOM 158 CG2 THR A 210 2.065 -12.196 -1.005 1.00 1.00 C ATOM 0 H THR A 210 4.000 -9.806 1.600 1.00 1.00 H new ATOM 0 HA THR A 210 1.348 -10.030 0.167 1.00 1.00 H new ATOM 0 HB THR A 210 3.354 -12.239 0.716 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.566 -11.517 -1.132 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.648 -12.939 -1.550 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.239 -12.688 -0.492 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.670 -11.460 -1.705 1.00 1.00 H new ATOM 166 N ALA A 211 1.991 -10.856 3.170 1.00 1.00 N ATOM 167 CA ALA A 211 1.382 -11.443 4.397 1.00 1.00 C ATOM 168 C ALA A 211 0.634 -10.365 5.187 1.00 1.00 C ATOM 169 O ALA A 211 0.478 -10.459 6.388 1.00 1.00 O ATOM 170 CB ALA A 211 2.563 -11.983 5.205 1.00 1.00 C ATOM 0 H ALA A 211 2.818 -10.281 3.329 1.00 1.00 H new ATOM 0 HA ALA A 211 0.657 -12.223 4.166 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.197 -12.433 6.128 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.091 -12.735 4.619 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.244 -11.166 5.445 1.00 1.00 H new ATOM 176 N THR A 212 0.171 -9.342 4.522 1.00 1.00 N ATOM 177 CA THR A 212 -0.570 -8.260 5.236 1.00 1.00 C ATOM 178 C THR A 212 -1.940 -8.776 5.688 1.00 1.00 C ATOM 179 O THR A 212 -2.488 -9.681 5.088 1.00 1.00 O ATOM 180 CB THR A 212 -0.726 -7.145 4.200 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.273 -5.990 4.824 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.659 -7.611 3.083 1.00 1.00 C ATOM 0 H THR A 212 0.273 -9.207 3.516 1.00 1.00 H new ATOM 0 HA THR A 212 -0.051 -7.914 6.130 1.00 1.00 H new ATOM 0 HB THR A 212 0.250 -6.903 3.779 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.196 -5.860 4.521 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.769 -6.816 2.346 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.239 -8.495 2.603 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.635 -7.855 3.502 1.00 1.00 H new ATOM 190 N PRO A 213 -2.450 -8.185 6.735 1.00 1.00 N ATOM 191 CA PRO A 213 -3.769 -8.600 7.273 1.00 1.00 C ATOM 192 C PRO A 213 -4.901 -8.190 6.321 1.00 1.00 C ATOM 193 O PRO A 213 -5.523 -9.022 5.693 1.00 1.00 O ATOM 194 CB PRO A 213 -3.863 -7.861 8.606 1.00 1.00 C ATOM 195 CG PRO A 213 -2.951 -6.683 8.465 1.00 1.00 C ATOM 196 CD PRO A 213 -1.857 -7.088 7.510 1.00 1.00 C ATOM 0 HA PRO A 213 -3.863 -9.680 7.388 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.886 -7.545 8.810 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.556 -8.500 9.434 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.494 -5.817 8.085 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.534 -6.399 9.431 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.562 -6.259 6.867 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.963 -7.413 8.042 1.00 1.00 H new ATOM 204 N LEU A 214 -5.176 -6.919 6.209 1.00 1.00 N ATOM 205 CA LEU A 214 -6.268 -6.472 5.296 1.00 1.00 C ATOM 206 C LEU A 214 -5.714 -5.513 4.238 1.00 1.00 C ATOM 207 O LEU A 214 -4.957 -4.611 4.540 1.00 1.00 O ATOM 208 CB LEU A 214 -7.273 -5.758 6.199 1.00 1.00 C ATOM 209 CG LEU A 214 -8.293 -5.013 5.335 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.704 -5.505 5.671 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.200 -3.512 5.618 1.00 1.00 C ATOM 0 H LEU A 214 -4.694 -6.172 6.709 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.725 -7.304 4.759 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.780 -6.480 6.839 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.756 -5.058 6.855 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.082 -5.201 4.282 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.431 -4.974 5.056 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.773 -6.575 5.473 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.914 -5.317 6.724 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -8.926 -2.980 5.003 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.411 -3.327 6.671 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.196 -3.159 5.382 1.00 1.00 H new ATOM 223 N TRP A 215 -6.081 -5.703 3.000 1.00 1.00 N ATOM 224 CA TRP A 215 -5.573 -4.805 1.926 1.00 1.00 C ATOM 225 C TRP A 215 -6.473 -3.573 1.791 1.00 1.00 C ATOM 226 O TRP A 215 -7.449 -3.422 2.498 1.00 1.00 O ATOM 227 CB TRP A 215 -5.629 -5.647 0.652 1.00 1.00 C ATOM 228 CG TRP A 215 -4.633 -6.760 0.737 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.848 -7.946 1.352 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.278 -6.818 0.201 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.712 -8.726 1.229 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.717 -8.074 0.527 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.490 -5.910 -0.530 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.421 -8.418 0.143 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.184 -6.253 -0.917 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.651 -7.505 -0.581 1.00 1.00 C ATOM 0 H TRP A 215 -6.711 -6.442 2.687 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.567 -4.441 2.135 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.631 -6.053 0.517 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.418 -5.023 -0.217 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.758 -8.236 1.856 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.620 -9.668 1.610 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.892 -4.943 -0.795 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.015 -9.384 0.404 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.587 -5.548 -1.477 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.354 -7.763 -0.882 1.00 1.00 H new ATOM 247 N ARG A 216 -6.150 -2.694 0.884 1.00 1.00 N ATOM 248 CA ARG A 216 -6.981 -1.470 0.691 1.00 1.00 C ATOM 249 C ARG A 216 -6.563 -0.762 -0.600 1.00 1.00 C ATOM 250 O ARG A 216 -5.439 -0.322 -0.741 1.00 1.00 O ATOM 251 CB ARG A 216 -6.688 -0.592 1.908 1.00 1.00 C ATOM 252 CG ARG A 216 -7.941 -0.495 2.783 1.00 1.00 C ATOM 253 CD ARG A 216 -9.114 0.010 1.940 1.00 1.00 C ATOM 254 NE ARG A 216 -10.028 0.674 2.911 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.581 1.817 2.609 1.00 1.00 C ATOM 256 NH1 ARG A 216 -9.860 2.904 2.580 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.856 1.872 2.337 1.00 1.00 N ATOM 0 H ARG A 216 -5.343 -2.770 0.265 1.00 1.00 H new ATOM 0 HA ARG A 216 -8.044 -1.695 0.606 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -5.862 -1.012 2.482 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -6.379 0.402 1.586 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -8.178 -1.471 3.207 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.762 0.181 3.619 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -8.778 0.708 1.174 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -9.613 -0.811 1.426 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.222 0.236 3.811 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -8.864 2.861 2.793 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -10.293 3.797 2.344 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.420 1.022 2.361 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.289 2.765 2.101 1.00 1.00 H new ATOM 271 N ARG A 217 -7.451 -0.658 -1.550 1.00 1.00 N ATOM 272 CA ARG A 217 -7.095 0.010 -2.833 1.00 1.00 C ATOM 273 C ARG A 217 -7.399 1.509 -2.763 1.00 1.00 C ATOM 274 O ARG A 217 -8.149 1.965 -1.923 1.00 1.00 O ATOM 275 CB ARG A 217 -7.975 -0.659 -3.887 1.00 1.00 C ATOM 276 CG ARG A 217 -7.999 -2.174 -3.662 1.00 1.00 C ATOM 277 CD ARG A 217 -8.902 -2.830 -4.709 1.00 1.00 C ATOM 278 NE ARG A 217 -10.210 -2.126 -4.582 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.259 -2.770 -4.151 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.233 -3.356 -2.987 1.00 1.00 N ATOM 281 NH2 ARG A 217 -12.338 -2.827 -4.885 1.00 1.00 N ATOM 0 H ARG A 217 -8.408 -1.007 -1.493 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.033 -0.087 -3.060 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.988 -0.259 -3.835 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.595 -0.437 -4.884 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.989 -2.579 -3.732 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.364 -2.398 -2.660 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.489 -2.719 -5.712 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.009 -3.899 -4.525 1.00 1.00 H new ATOM 0 HE ARG A 217 -10.285 -1.140 -4.832 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.392 -3.311 -2.412 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.054 -3.859 -2.651 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -12.360 -2.368 -5.796 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -13.158 -3.331 -4.548 1.00 1.00 H new ATOM 295 N ASP A 218 -6.818 2.273 -3.646 1.00 1.00 N ATOM 296 CA ASP A 218 -7.062 3.739 -3.649 1.00 1.00 C ATOM 297 C ASP A 218 -7.461 4.197 -5.057 1.00 1.00 C ATOM 298 O ASP A 218 -7.889 3.409 -5.876 1.00 1.00 O ATOM 299 CB ASP A 218 -5.723 4.355 -3.240 1.00 1.00 C ATOM 300 CG ASP A 218 -4.579 3.642 -3.966 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.259 4.049 -5.071 1.00 1.00 O ATOM 302 OD2 ASP A 218 -4.040 2.702 -3.403 1.00 1.00 O ATOM 0 H ASP A 218 -6.181 1.941 -4.370 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.868 4.034 -2.978 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.713 5.418 -3.482 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.589 4.272 -2.161 1.00 1.00 H new ATOM 307 N ARG A 219 -7.324 5.463 -5.344 1.00 1.00 N ATOM 308 CA ARG A 219 -7.695 5.967 -6.699 1.00 1.00 C ATOM 309 C ARG A 219 -7.028 5.123 -7.785 1.00 1.00 C ATOM 310 O ARG A 219 -7.564 4.941 -8.860 1.00 1.00 O ATOM 311 CB ARG A 219 -7.158 7.394 -6.753 1.00 1.00 C ATOM 312 CG ARG A 219 -8.321 8.371 -6.931 1.00 1.00 C ATOM 313 CD ARG A 219 -8.282 9.418 -5.817 1.00 1.00 C ATOM 314 NE ARG A 219 -9.586 10.132 -5.916 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.306 10.324 -4.846 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.880 9.312 -4.255 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.455 11.529 -4.366 1.00 1.00 N ATOM 0 H ARG A 219 -6.971 6.171 -4.700 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.771 5.920 -6.867 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.613 7.624 -5.837 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.453 7.497 -7.578 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.256 8.857 -7.904 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.269 7.833 -6.906 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.161 8.951 -4.840 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.445 10.104 -5.949 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.915 10.470 -6.820 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.765 8.370 -4.630 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.443 9.463 -3.418 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.008 12.321 -4.828 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.018 11.678 -3.529 1.00 1.00 H new ATOM 331 N THR A 220 -5.855 4.619 -7.520 1.00 1.00 N ATOM 332 CA THR A 220 -5.149 3.806 -8.547 1.00 1.00 C ATOM 333 C THR A 220 -5.542 2.331 -8.420 1.00 1.00 C ATOM 334 O THR A 220 -5.006 1.475 -9.095 1.00 1.00 O ATOM 335 CB THR A 220 -3.662 3.995 -8.250 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.324 3.285 -7.068 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.369 5.485 -8.056 1.00 1.00 C ATOM 0 H THR A 220 -5.356 4.735 -6.638 1.00 1.00 H new ATOM 0 HA THR A 220 -5.403 4.113 -9.562 1.00 1.00 H new ATOM 0 HB THR A 220 -3.070 3.615 -9.083 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.462 3.863 -6.289 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.309 5.623 -7.844 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.631 6.029 -8.964 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.958 5.866 -7.222 1.00 1.00 H new ATOM 345 N GLY A 221 -6.482 2.034 -7.567 1.00 1.00 N ATOM 346 CA GLY A 221 -6.922 0.621 -7.400 1.00 1.00 C ATOM 347 C GLY A 221 -5.738 -0.260 -6.992 1.00 1.00 C ATOM 348 O GLY A 221 -5.732 -1.450 -7.235 1.00 1.00 O ATOM 0 H GLY A 221 -6.966 2.711 -6.977 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.704 0.564 -6.643 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.353 0.255 -8.332 1.00 1.00 H new ATOM 352 N HIS A 222 -4.741 0.303 -6.366 1.00 1.00 N ATOM 353 CA HIS A 222 -3.574 -0.524 -5.944 1.00 1.00 C ATOM 354 C HIS A 222 -3.957 -1.373 -4.727 1.00 1.00 C ATOM 355 O HIS A 222 -5.116 -1.488 -4.384 1.00 1.00 O ATOM 356 CB HIS A 222 -2.474 0.476 -5.587 1.00 1.00 C ATOM 357 CG HIS A 222 -1.951 1.116 -6.842 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.882 1.946 -7.070 1.00 1.00 N flip ATOM 359 CD2 HIS A 222 -2.554 0.927 -8.077 1.00 1.00 C flip ATOM 360 CE1 HIS A 222 -0.818 2.268 -8.423 1.00 1.00 C flip ATOM 361 NE2 HIS A 222 -1.848 1.629 -8.984 1.00 1.00 N flip ATOM 0 H HIS A 222 -4.683 1.294 -6.129 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.246 -1.210 -6.725 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.866 1.238 -4.913 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.665 -0.030 -5.060 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -3.430 0.327 -8.275 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.092 2.899 -8.914 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -2.073 1.668 -9.978 1.00 1.00 H new ATOM 369 N TYR A 223 -3.001 -1.980 -4.078 1.00 1.00 N ATOM 370 CA TYR A 223 -3.331 -2.827 -2.899 1.00 1.00 C ATOM 371 C TYR A 223 -2.279 -2.667 -1.795 1.00 1.00 C ATOM 372 O TYR A 223 -1.510 -3.568 -1.538 1.00 1.00 O ATOM 373 CB TYR A 223 -3.304 -4.253 -3.440 1.00 1.00 C ATOM 374 CG TYR A 223 -4.677 -4.644 -3.935 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.167 -4.115 -5.135 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.456 -5.542 -3.195 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.438 -4.482 -5.592 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.725 -5.909 -3.654 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.217 -5.380 -4.852 1.00 1.00 C ATOM 380 OH TYR A 223 -8.470 -5.742 -5.305 1.00 1.00 O ATOM 0 H TYR A 223 -2.010 -1.926 -4.313 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.290 -2.556 -2.457 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.580 -4.329 -4.252 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.980 -4.941 -2.659 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.565 -3.425 -5.707 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.077 -5.951 -2.270 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.818 -4.072 -6.516 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.326 -6.601 -3.083 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.876 -6.373 -4.674 1.00 1.00 H new ATOM 390 N LEU A 224 -2.240 -1.544 -1.130 1.00 1.00 N ATOM 391 CA LEU A 224 -1.231 -1.373 -0.043 1.00 1.00 C ATOM 392 C LEU A 224 -1.424 -2.463 1.014 1.00 1.00 C ATOM 393 O LEU A 224 -2.391 -3.197 0.988 1.00 1.00 O ATOM 394 CB LEU A 224 -1.501 0.008 0.555 1.00 1.00 C ATOM 395 CG LEU A 224 -0.376 0.963 0.159 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.378 1.150 -1.357 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.596 2.316 0.835 1.00 1.00 C ATOM 0 H LEU A 224 -2.855 -0.746 -1.289 1.00 1.00 H new ATOM 0 HA LEU A 224 -0.209 -1.453 -0.412 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.458 0.389 0.199 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.569 -0.061 1.641 1.00 1.00 H new ATOM 0 HG LEU A 224 0.581 0.548 0.475 1.00 1.00 H new ATOM 0 HD11 LEU A 224 0.424 1.831 -1.641 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -0.224 0.186 -1.843 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -1.335 1.566 -1.671 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.206 2.998 0.553 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -1.553 2.730 0.517 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.598 2.186 1.917 1.00 1.00 H new ATOM 409 N CYS A 225 -0.512 -2.585 1.941 1.00 1.00 N ATOM 410 CA CYS A 225 -0.659 -3.639 2.984 1.00 1.00 C ATOM 411 C CYS A 225 -1.174 -3.040 4.296 1.00 1.00 C ATOM 412 O CYS A 225 -1.992 -3.632 4.971 1.00 1.00 O ATOM 413 CB CYS A 225 0.743 -4.226 3.170 1.00 1.00 C ATOM 414 SG CYS A 225 1.850 -2.970 3.859 1.00 1.00 S ATOM 0 H CYS A 225 0.323 -2.004 2.021 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.381 -4.400 2.688 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.700 -5.089 3.834 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.129 -4.578 2.214 1.00 1.00 H new ATOM 419 N ASN A 226 -0.711 -1.872 4.664 1.00 1.00 N ATOM 420 CA ASN A 226 -1.187 -1.252 5.939 1.00 1.00 C ATOM 421 C ASN A 226 -0.453 0.066 6.206 1.00 1.00 C ATOM 422 O ASN A 226 -0.960 1.138 5.943 1.00 1.00 O ATOM 423 CB ASN A 226 -0.845 -2.277 7.027 1.00 1.00 C ATOM 424 CG ASN A 226 -1.129 -1.684 8.410 1.00 1.00 C ATOM 425 OD1 ASN A 226 -0.900 -0.515 8.647 1.00 1.00 O ATOM 426 ND2 ASN A 226 -1.622 -2.453 9.343 1.00 1.00 N ATOM 0 H ASN A 226 -0.028 -1.324 4.141 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.251 -1.020 5.906 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -1.433 -3.183 6.883 1.00 1.00 H new ATOM 0 HB3 ASN A 226 0.204 -2.563 6.953 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -1.814 -2.072 10.269 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -1.815 -3.435 9.145 1.00 1.00 H new ATOM 433 N ALA A 227 0.734 -0.009 6.748 1.00 1.00 N ATOM 434 CA ALA A 227 1.501 1.233 7.061 1.00 1.00 C ATOM 435 C ALA A 227 1.981 1.929 5.784 1.00 1.00 C ATOM 436 O ALA A 227 2.579 2.986 5.836 1.00 1.00 O ATOM 437 CB ALA A 227 2.696 0.755 7.886 1.00 1.00 C ATOM 0 H ALA A 227 1.207 -0.880 6.988 1.00 1.00 H new ATOM 0 HA ALA A 227 0.888 1.961 7.592 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.315 1.610 8.159 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.340 0.261 8.790 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.287 0.053 7.298 1.00 1.00 H new ATOM 443 N CYS A 228 1.733 1.358 4.637 1.00 1.00 N ATOM 444 CA CYS A 228 2.190 2.014 3.380 1.00 1.00 C ATOM 445 C CYS A 228 1.217 3.127 2.981 1.00 1.00 C ATOM 446 O CYS A 228 1.526 3.971 2.162 1.00 1.00 O ATOM 447 CB CYS A 228 2.202 0.907 2.338 1.00 1.00 C ATOM 448 SG CYS A 228 3.741 -0.040 2.482 1.00 1.00 S ATOM 0 H CYS A 228 1.239 0.474 4.516 1.00 1.00 H new ATOM 0 HA CYS A 228 3.171 2.478 3.487 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.344 0.250 2.479 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.116 1.333 1.338 1.00 1.00 H new ATOM 453 N GLY A 229 0.045 3.136 3.556 1.00 1.00 N ATOM 454 CA GLY A 229 -0.945 4.195 3.210 1.00 1.00 C ATOM 455 C GLY A 229 -0.918 5.288 4.279 1.00 1.00 C ATOM 456 O GLY A 229 -1.289 6.419 4.034 1.00 1.00 O ATOM 0 H GLY A 229 -0.269 2.457 4.249 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.712 4.620 2.234 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.944 3.765 3.140 1.00 1.00 H new ATOM 460 N LEU A 230 -0.482 4.961 5.465 1.00 1.00 N ATOM 461 CA LEU A 230 -0.432 5.985 6.549 1.00 1.00 C ATOM 462 C LEU A 230 0.130 7.299 6.007 1.00 1.00 C ATOM 463 O LEU A 230 -0.480 8.343 6.125 1.00 1.00 O ATOM 464 CB LEU A 230 0.500 5.400 7.605 1.00 1.00 C ATOM 465 CG LEU A 230 -0.165 5.494 8.980 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.540 4.549 9.956 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.059 6.930 9.496 1.00 1.00 C ATOM 0 H LEU A 230 -0.159 4.031 5.731 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.419 6.205 6.955 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.727 4.360 7.369 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.447 5.940 7.609 1.00 1.00 H new ATOM 0 HG LEU A 230 -1.214 5.211 8.897 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.066 4.617 10.935 1.00 1.00 H new ATOM 0 HD12 LEU A 230 0.468 3.526 9.588 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.590 4.831 10.041 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.532 7.000 10.476 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.991 7.210 9.579 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.561 7.604 8.802 1.00 1.00 H new ATOM 479 N TYR A 231 1.291 7.258 5.411 1.00 1.00 N ATOM 480 CA TYR A 231 1.890 8.507 4.861 1.00 1.00 C ATOM 481 C TYR A 231 0.876 9.233 3.973 1.00 1.00 C ATOM 482 O TYR A 231 0.638 10.415 4.123 1.00 1.00 O ATOM 483 CB TYR A 231 3.089 8.039 4.038 1.00 1.00 C ATOM 484 CG TYR A 231 4.130 9.131 3.999 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.898 10.295 3.255 1.00 1.00 C ATOM 486 CD2 TYR A 231 5.329 8.980 4.707 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.864 11.307 3.220 1.00 1.00 C ATOM 488 CE2 TYR A 231 6.295 9.992 4.672 1.00 1.00 C ATOM 489 CZ TYR A 231 6.063 11.155 3.928 1.00 1.00 C ATOM 490 OH TYR A 231 7.015 12.153 3.893 1.00 1.00 O ATOM 0 H TYR A 231 1.850 6.415 5.281 1.00 1.00 H new ATOM 0 HA TYR A 231 2.182 9.207 5.644 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.512 7.134 4.474 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.773 7.787 3.026 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.974 10.411 2.708 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.508 8.082 5.280 1.00 1.00 H new ATOM 0 HE1 TYR A 231 4.685 12.205 2.647 1.00 1.00 H new ATOM 0 HE2 TYR A 231 7.219 9.876 5.219 1.00 1.00 H new ATOM 0 HH TYR A 231 7.786 11.889 4.438 1.00 1.00 H new ATOM 500 N HIS A 232 0.280 8.534 3.045 1.00 1.00 N ATOM 501 CA HIS A 232 -0.713 9.182 2.145 1.00 1.00 C ATOM 502 C HIS A 232 -1.950 9.612 2.938 1.00 1.00 C ATOM 503 O HIS A 232 -2.664 10.516 2.552 1.00 1.00 O ATOM 504 CB HIS A 232 -1.080 8.109 1.120 1.00 1.00 C ATOM 505 CG HIS A 232 -1.628 8.768 -0.116 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.050 9.591 -1.050 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -2.945 8.607 -0.518 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -1.990 9.939 -2.015 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.114 9.320 -1.647 1.00 1.00 N flip ATOM 0 H HIS A 232 0.439 7.541 2.872 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.314 10.079 1.672 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.202 7.514 0.870 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.819 7.426 1.540 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.078 9.901 -1.038 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -3.698 8.017 -0.017 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -1.842 10.573 -2.876 1.00 1.00 H new ATOM 517 N LYS A 233 -2.211 8.970 4.045 1.00 1.00 N ATOM 518 CA LYS A 233 -3.404 9.343 4.858 1.00 1.00 C ATOM 519 C LYS A 233 -3.105 10.582 5.706 1.00 1.00 C ATOM 520 O LYS A 233 -3.943 11.445 5.874 1.00 1.00 O ATOM 521 CB LYS A 233 -3.664 8.129 5.753 1.00 1.00 C ATOM 522 CG LYS A 233 -3.986 6.912 4.883 1.00 1.00 C ATOM 523 CD LYS A 233 -5.503 6.721 4.812 1.00 1.00 C ATOM 524 CE LYS A 233 -5.999 6.089 6.116 1.00 1.00 C ATOM 525 NZ LYS A 233 -7.340 6.694 6.349 1.00 1.00 N ATOM 0 H LYS A 233 -1.651 8.205 4.421 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.266 9.588 4.238 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.790 7.926 6.371 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.493 8.334 6.431 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.579 7.050 3.881 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.516 6.021 5.298 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.994 7.681 4.651 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.761 6.085 3.966 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.064 5.004 6.030 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.320 6.303 6.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.746 6.310 7.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.245 7.726 6.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.966 6.468 5.550 1.00 1.00 H new ATOM 539 N MET A 234 -1.918 10.676 6.243 1.00 1.00 N ATOM 540 CA MET A 234 -1.571 11.860 7.080 1.00 1.00 C ATOM 541 C MET A 234 -0.787 12.884 6.258 1.00 1.00 C ATOM 542 O MET A 234 -1.193 14.018 6.105 1.00 1.00 O ATOM 543 CB MET A 234 -0.704 11.306 8.211 1.00 1.00 C ATOM 544 CG MET A 234 -1.602 10.802 9.344 1.00 1.00 C ATOM 545 SD MET A 234 -1.244 11.730 10.856 1.00 1.00 S ATOM 546 CE MET A 234 -1.479 10.368 12.023 1.00 1.00 C ATOM 0 H MET A 234 -1.175 9.985 6.138 1.00 1.00 H new ATOM 0 HA MET A 234 -2.458 12.370 7.456 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.079 10.494 7.840 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.033 12.081 8.582 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.651 10.921 9.071 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.434 9.738 9.509 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.304 10.724 13.038 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.498 9.991 11.941 1.00 1.00 H new ATOM 0 HE3 MET A 234 -0.776 9.567 11.794 1.00 1.00 H new ATOM 556 N ASN A 235 0.336 12.489 5.734 1.00 1.00 N ATOM 557 CA ASN A 235 1.159 13.434 4.922 1.00 1.00 C ATOM 558 C ASN A 235 0.481 13.716 3.579 1.00 1.00 C ATOM 559 O ASN A 235 0.609 14.787 3.021 1.00 1.00 O ATOM 560 CB ASN A 235 2.491 12.714 4.711 1.00 1.00 C ATOM 561 CG ASN A 235 3.403 12.967 5.913 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.470 14.070 6.418 1.00 1.00 O ATOM 563 ND2 ASN A 235 4.112 11.984 6.397 1.00 1.00 N ATOM 0 H ASN A 235 0.724 11.551 5.831 1.00 1.00 H new ATOM 0 HA ASN A 235 1.288 14.397 5.416 1.00 1.00 H new ATOM 0 HB2 ASN A 235 2.323 11.644 4.587 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.968 13.069 3.798 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.722 12.142 7.199 1.00 1.00 H new ATOM 0 HD22 ASN A 235 4.056 11.058 5.973 1.00 1.00 H new ATOM 570 N GLY A 236 -0.237 12.762 3.057 1.00 1.00 N ATOM 571 CA GLY A 236 -0.920 12.972 1.755 1.00 1.00 C ATOM 572 C GLY A 236 0.016 12.578 0.611 1.00 1.00 C ATOM 573 O GLY A 236 -0.421 12.159 -0.443 1.00 1.00 O ATOM 0 H GLY A 236 -0.380 11.844 3.478 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -1.832 12.377 1.712 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -1.215 14.016 1.653 1.00 1.00 H new ATOM 577 N GLN A 237 1.300 12.707 0.808 1.00 1.00 N ATOM 578 CA GLN A 237 2.259 12.337 -0.272 1.00 1.00 C ATOM 579 C GLN A 237 2.461 10.819 -0.302 1.00 1.00 C ATOM 580 O GLN A 237 1.732 10.074 0.323 1.00 1.00 O ATOM 581 CB GLN A 237 3.564 13.047 0.095 1.00 1.00 C ATOM 582 CG GLN A 237 3.490 14.511 -0.345 1.00 1.00 C ATOM 583 CD GLN A 237 3.453 14.585 -1.874 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.704 13.606 -2.547 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.149 15.715 -2.453 1.00 1.00 N ATOM 0 H GLN A 237 1.726 13.052 1.668 1.00 1.00 H new ATOM 0 HA GLN A 237 1.902 12.629 -1.260 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.733 12.987 1.170 1.00 1.00 H new ATOM 0 HB3 GLN A 237 4.407 12.553 -0.388 1.00 1.00 H new ATOM 0 HG2 GLN A 237 2.601 14.983 0.074 1.00 1.00 H new ATOM 0 HG3 GLN A 237 4.352 15.060 0.035 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.938 16.537 -1.887 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.122 15.776 -3.471 1.00 1.00 H new ATOM 594 N ASN A 238 3.444 10.354 -1.025 1.00 1.00 N ATOM 595 CA ASN A 238 3.687 8.885 -1.094 1.00 1.00 C ATOM 596 C ASN A 238 4.855 8.495 -0.184 1.00 1.00 C ATOM 597 O ASN A 238 5.693 9.310 0.150 1.00 1.00 O ATOM 598 CB ASN A 238 4.034 8.612 -2.558 1.00 1.00 C ATOM 599 CG ASN A 238 2.748 8.372 -3.351 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.722 8.048 -2.785 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.759 8.519 -4.648 1.00 1.00 N ATOM 0 H ASN A 238 4.088 10.927 -1.570 1.00 1.00 H new ATOM 0 HA ASN A 238 2.823 8.308 -0.763 1.00 1.00 H new ATOM 0 HB2 ASN A 238 4.580 9.457 -2.977 1.00 1.00 H new ATOM 0 HB3 ASN A 238 4.687 7.742 -2.632 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.907 8.362 -5.186 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.620 8.791 -5.123 1.00 1.00 H new ATOM 608 N ARG A 239 4.919 7.256 0.218 1.00 1.00 N ATOM 609 CA ARG A 239 6.036 6.818 1.105 1.00 1.00 C ATOM 610 C ARG A 239 7.020 5.945 0.320 1.00 1.00 C ATOM 611 O ARG A 239 6.678 4.864 -0.116 1.00 1.00 O ATOM 612 CB ARG A 239 5.368 6.006 2.214 1.00 1.00 C ATOM 613 CG ARG A 239 6.391 5.709 3.313 1.00 1.00 C ATOM 614 CD ARG A 239 5.718 4.925 4.442 1.00 1.00 C ATOM 615 NE ARG A 239 6.557 3.706 4.616 1.00 1.00 N ATOM 616 CZ ARG A 239 7.527 3.699 5.490 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.261 3.854 6.758 1.00 1.00 N ATOM 618 NH2 ARG A 239 8.760 3.533 5.096 1.00 1.00 N ATOM 0 H ARG A 239 4.248 6.528 -0.028 1.00 1.00 H new ATOM 0 HA ARG A 239 6.603 7.660 1.502 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.524 6.559 2.627 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.971 5.075 1.810 1.00 1.00 H new ATOM 0 HG2 ARG A 239 7.223 5.136 2.904 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.805 6.640 3.700 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.678 5.511 5.360 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.691 4.664 4.185 1.00 1.00 H new ATOM 0 HE ARG A 239 6.373 2.876 4.052 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.297 3.980 7.065 1.00 1.00 H new ATOM 0 HH12 ARG A 239 8.018 3.849 7.442 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.966 3.409 4.105 1.00 1.00 H new ATOM 0 HH22 ARG A 239 9.517 3.528 5.779 1.00 1.00 H new ATOM 632 N PRO A 240 8.217 6.448 0.168 1.00 1.00 N ATOM 633 CA PRO A 240 9.266 5.705 -0.572 1.00 1.00 C ATOM 634 C PRO A 240 9.770 4.520 0.257 1.00 1.00 C ATOM 635 O PRO A 240 9.444 4.379 1.420 1.00 1.00 O ATOM 636 CB PRO A 240 10.370 6.742 -0.764 1.00 1.00 C ATOM 637 CG PRO A 240 10.172 7.727 0.343 1.00 1.00 C ATOM 638 CD PRO A 240 8.700 7.741 0.664 1.00 1.00 C ATOM 0 HA PRO A 240 8.911 5.287 -1.514 1.00 1.00 H new ATOM 0 HB2 PRO A 240 11.357 6.282 -0.711 1.00 1.00 H new ATOM 0 HB3 PRO A 240 10.294 7.223 -1.739 1.00 1.00 H new ATOM 0 HG2 PRO A 240 10.755 7.444 1.219 1.00 1.00 H new ATOM 0 HG3 PRO A 240 10.510 8.718 0.042 1.00 1.00 H new ATOM 0 HD2 PRO A 240 8.526 7.848 1.735 1.00 1.00 H new ATOM 0 HD3 PRO A 240 8.192 8.572 0.174 1.00 1.00 H new ATOM 646 N LEU A 241 10.563 3.667 -0.332 1.00 1.00 N ATOM 647 CA LEU A 241 11.089 2.496 0.415 1.00 1.00 C ATOM 648 C LEU A 241 12.568 2.281 0.086 1.00 1.00 C ATOM 649 O LEU A 241 13.189 3.082 -0.582 1.00 1.00 O ATOM 650 CB LEU A 241 10.256 1.309 -0.065 1.00 1.00 C ATOM 651 CG LEU A 241 8.773 1.685 -0.050 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.392 2.309 -1.394 1.00 1.00 C ATOM 653 CD2 LEU A 241 7.932 0.429 0.183 1.00 1.00 C ATOM 0 H LEU A 241 10.869 3.734 -1.303 1.00 1.00 H new ATOM 0 HA LEU A 241 11.019 2.631 1.494 1.00 1.00 H new ATOM 0 HB2 LEU A 241 10.559 1.022 -1.072 1.00 1.00 H new ATOM 0 HB3 LEU A 241 10.430 0.446 0.578 1.00 1.00 H new ATOM 0 HG LEU A 241 8.588 2.402 0.750 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.336 2.577 -1.384 1.00 1.00 H new ATOM 0 HD12 LEU A 241 8.992 3.203 -1.563 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.577 1.592 -2.194 1.00 1.00 H new ATOM 0 HD21 LEU A 241 6.875 0.696 0.194 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.117 -0.287 -0.618 1.00 1.00 H new ATOM 0 HD23 LEU A 241 8.203 -0.018 1.139 1.00 1.00 H new ATOM 665 N ILE A 242 13.139 1.205 0.556 1.00 1.00 N ATOM 666 CA ILE A 242 14.573 0.939 0.274 1.00 1.00 C ATOM 667 C ILE A 242 14.716 -0.250 -0.680 1.00 1.00 C ATOM 668 O ILE A 242 14.406 -1.374 -0.337 1.00 1.00 O ATOM 669 CB ILE A 242 15.190 0.617 1.634 1.00 1.00 C ATOM 670 CG1 ILE A 242 14.963 1.793 2.587 1.00 1.00 C ATOM 671 CG2 ILE A 242 16.692 0.378 1.469 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.748 1.503 3.472 1.00 1.00 C ATOM 0 H ILE A 242 12.671 0.499 1.124 1.00 1.00 H new ATOM 0 HA ILE A 242 15.064 1.786 -0.205 1.00 1.00 H new ATOM 0 HB ILE A 242 14.722 -0.279 2.043 1.00 1.00 H new ATOM 0 HG12 ILE A 242 15.847 1.951 3.205 1.00 1.00 H new ATOM 0 HG13 ILE A 242 14.803 2.710 2.019 1.00 1.00 H new ATOM 0 HG21 ILE A 242 17.133 0.148 2.439 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.855 -0.458 0.789 1.00 1.00 H new ATOM 0 HG23 ILE A 242 17.160 1.274 1.061 1.00 1.00 H new ATOM 0 HD11 ILE A 242 13.585 2.340 4.151 1.00 1.00 H new ATOM 0 HD12 ILE A 242 12.866 1.367 2.846 1.00 1.00 H new ATOM 0 HD13 ILE A 242 13.927 0.596 4.050 1.00 1.00 H new ATOM 684 N ARG A 243 15.185 -0.012 -1.875 1.00 1.00 N ATOM 685 CA ARG A 243 15.347 -1.131 -2.847 1.00 1.00 C ATOM 686 C ARG A 243 16.665 -0.983 -3.614 1.00 1.00 C ATOM 687 O ARG A 243 16.863 -1.727 -4.560 1.00 1.00 O ATOM 688 CB ARG A 243 14.160 -1.006 -3.796 1.00 1.00 C ATOM 689 CG ARG A 243 13.254 -2.229 -3.644 1.00 1.00 C ATOM 690 CD ARG A 243 13.969 -3.464 -4.197 1.00 1.00 C ATOM 691 NE ARG A 243 13.069 -4.606 -3.876 1.00 1.00 N ATOM 692 CZ ARG A 243 12.551 -5.320 -4.837 1.00 1.00 C ATOM 693 NH1 ARG A 243 13.273 -5.641 -5.875 1.00 1.00 N ATOM 694 NH2 ARG A 243 11.309 -5.713 -4.759 1.00 1.00 N ATOM 695 OXT ARG A 243 17.451 -0.128 -3.242 1.00 0.00 O ATOM 0 H ARG A 243 15.462 0.907 -2.220 1.00 1.00 H new ATOM 0 HA ARG A 243 15.375 -2.103 -2.354 1.00 1.00 H new ATOM 0 HB2 ARG A 243 13.601 -0.096 -3.578 1.00 1.00 H new ATOM 0 HB3 ARG A 243 14.510 -0.925 -4.825 1.00 1.00 H new ATOM 0 HG2 ARG A 243 13.002 -2.381 -2.594 1.00 1.00 H new ATOM 0 HG3 ARG A 243 12.317 -2.069 -4.177 1.00 1.00 H new ATOM 0 HD2 ARG A 243 14.130 -3.379 -5.272 1.00 1.00 H new ATOM 0 HD3 ARG A 243 14.949 -3.592 -3.737 1.00 1.00 H new ATOM 0 HE ARG A 243 12.857 -4.830 -2.904 1.00 1.00 H new ATOM 0 HH11 ARG A 243 14.244 -5.334 -5.936 1.00 1.00 H new ATOM 0 HH12 ARG A 243 12.867 -6.199 -6.626 1.00 1.00 H new ATOM 0 HH21 ARG A 243 10.745 -5.462 -3.947 1.00 1.00 H new ATOM 0 HH22 ARG A 243 10.903 -6.271 -5.510 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.175 -2.236 2.131 1.00 1.00 ZN