USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 341 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 209 CYS SG : rot -179:sc= -4.7! USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.227 USER MOD Set 1.3: A 226 CYS SG : rot -176:sc= -4.15! USER MOD Set 1.4: A 229 HIS :FLIP no HD1:sc= -9.72! C(o=-23!,f=-20!) USER MOD Set 1.5: A 230 THR OG1 : rot 180:sc= -1.19 USER MOD Set 1.6: A 233 GLN :FLIP amide:sc= -0.383 F(o=-22!,f=-20) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.044) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -111:sc= -0.21 (180deg=-0.375) USER MOD Single : A 221 THR OG1 : rot -16:sc= 0.879 USER MOD Single : A 223 SER OG : rot 36:sc= -0.752 USER MOD Single : A 228 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.17) USER MOD Single : A 236 THR OG1 : rot 86:sc= 0.294 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.997 -0.783 13.719 1.00 0.00 N ATOM 2 CA PRO A 198 51.069 -0.120 12.407 1.00 0.00 C ATOM 3 C PRO A 198 51.918 1.169 12.384 1.00 0.00 C ATOM 4 O PRO A 198 52.550 1.475 11.370 1.00 0.00 O ATOM 5 CB PRO A 198 49.602 0.191 12.078 1.00 0.00 C ATOM 6 CG PRO A 198 48.893 0.135 13.383 1.00 0.00 C ATOM 7 CD PRO A 198 49.602 -0.911 14.179 1.00 0.00 C ATOM 0 HA PRO A 198 51.567 -0.763 11.681 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.501 1.173 11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.193 -0.535 11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.924 1.100 13.888 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.842 -0.120 13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.512 -0.734 15.251 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.202 -1.906 13.986 1.00 0.00 H new ATOM 15 N GLU A 199 51.973 1.886 13.501 1.00 0.00 N ATOM 16 CA GLU A 199 52.702 3.150 13.560 1.00 0.00 C ATOM 17 C GLU A 199 54.188 2.912 13.505 1.00 0.00 C ATOM 18 O GLU A 199 54.892 3.478 12.668 1.00 0.00 O ATOM 19 CB GLU A 199 52.369 3.920 14.819 1.00 0.00 C ATOM 20 CG GLU A 199 50.928 4.314 14.931 1.00 0.00 C ATOM 21 CD GLU A 199 50.671 5.086 16.179 1.00 0.00 C ATOM 22 OE1 GLU A 199 50.353 4.467 17.211 1.00 0.00 O ATOM 23 OE2 GLU A 199 50.764 6.328 16.158 1.00 0.00 O ATOM 0 H GLU A 199 51.523 1.616 14.376 1.00 0.00 H new ATOM 0 HA GLU A 199 52.396 3.739 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.637 3.314 15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.984 4.819 14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.645 4.913 14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.303 3.421 14.919 1.00 0.00 H new ATOM 30 N GLU A 200 54.661 2.059 14.377 1.00 0.00 N ATOM 31 CA GLU A 200 56.023 1.729 14.450 1.00 0.00 C ATOM 32 C GLU A 200 56.460 0.913 13.293 1.00 0.00 C ATOM 33 O GLU A 200 57.606 0.944 12.914 1.00 0.00 O ATOM 34 CB GLU A 200 56.347 1.068 15.739 1.00 0.00 C ATOM 35 CG GLU A 200 55.341 0.061 16.287 1.00 0.00 C ATOM 36 CD GLU A 200 54.211 0.719 17.037 1.00 0.00 C ATOM 37 OE1 GLU A 200 54.398 1.025 18.235 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.149 0.965 16.437 1.00 0.00 O ATOM 0 H GLU A 200 54.080 1.575 15.062 1.00 0.00 H new ATOM 0 HA GLU A 200 56.584 2.662 14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.304 0.559 15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.487 1.846 16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.933 -0.524 15.463 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.854 -0.636 16.949 1.00 0.00 H new ATOM 45 N LEU A 201 55.556 0.179 12.758 1.00 0.00 N ATOM 46 CA LEU A 201 55.785 -0.538 11.531 1.00 0.00 C ATOM 47 C LEU A 201 56.068 0.439 10.374 1.00 0.00 C ATOM 48 O LEU A 201 56.990 0.254 9.587 1.00 0.00 O ATOM 49 CB LEU A 201 54.599 -1.433 11.225 1.00 0.00 C ATOM 50 CG LEU A 201 54.497 -1.879 9.804 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.060 -3.304 9.742 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.503 -1.011 9.065 1.00 0.00 C ATOM 0 H LEU A 201 54.624 0.049 13.152 1.00 0.00 H new ATOM 0 HA LEU A 201 56.666 -1.169 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.653 -2.314 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.684 -0.903 11.490 1.00 0.00 H new ATOM 0 HG LEU A 201 55.477 -1.787 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.989 -3.618 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.786 -3.930 10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.085 -3.407 10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.432 -1.341 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.525 -1.093 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.834 0.027 9.094 1.00 0.00 H new ATOM 64 N ARG A 202 55.249 1.443 10.279 1.00 0.00 N ATOM 65 CA ARG A 202 55.399 2.512 9.337 1.00 0.00 C ATOM 66 C ARG A 202 56.730 3.220 9.564 1.00 0.00 C ATOM 67 O ARG A 202 57.448 3.535 8.619 1.00 0.00 O ATOM 68 CB ARG A 202 54.226 3.453 9.532 1.00 0.00 C ATOM 69 CG ARG A 202 54.391 4.819 8.959 1.00 0.00 C ATOM 70 CD ARG A 202 53.139 5.615 9.192 1.00 0.00 C ATOM 71 NE ARG A 202 53.242 7.012 8.754 1.00 0.00 N ATOM 72 CZ ARG A 202 52.295 7.944 8.948 1.00 0.00 C ATOM 73 NH1 ARG A 202 51.108 7.612 9.442 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.531 9.199 8.626 1.00 0.00 N ATOM 0 H ARG A 202 54.429 1.544 10.877 1.00 0.00 H new ATOM 0 HA ARG A 202 55.405 2.141 8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.341 2.997 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.034 3.548 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.243 5.318 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.600 4.754 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.312 5.138 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.897 5.593 10.254 1.00 0.00 H new ATOM 0 HE ARG A 202 54.093 7.295 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.908 6.640 9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 202 50.397 8.329 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.433 9.463 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.812 9.907 8.773 1.00 0.00 H new ATOM 88 N SER A 203 57.059 3.414 10.826 1.00 0.00 N ATOM 89 CA SER A 203 58.309 4.040 11.205 1.00 0.00 C ATOM 90 C SER A 203 59.481 3.088 10.870 1.00 0.00 C ATOM 91 O SER A 203 60.583 3.528 10.502 1.00 0.00 O ATOM 92 CB SER A 203 58.272 4.393 12.708 1.00 0.00 C ATOM 93 OG SER A 203 59.425 5.104 13.126 1.00 0.00 O ATOM 0 H SER A 203 56.470 3.143 11.614 1.00 0.00 H new ATOM 0 HA SER A 203 58.455 4.965 10.646 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.385 4.991 12.916 1.00 0.00 H new ATOM 0 HB3 SER A 203 58.183 3.477 13.291 1.00 0.00 H new ATOM 0 HG SER A 203 59.356 5.306 14.082 1.00 0.00 H new ATOM 99 N LEU A 204 59.206 1.788 10.957 1.00 0.00 N ATOM 100 CA LEU A 204 60.155 0.739 10.656 1.00 0.00 C ATOM 101 C LEU A 204 60.585 0.863 9.214 1.00 0.00 C ATOM 102 O LEU A 204 61.748 1.096 8.941 1.00 0.00 O ATOM 103 CB LEU A 204 59.516 -0.656 10.938 1.00 0.00 C ATOM 104 CG LEU A 204 60.429 -1.893 10.819 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.004 -2.961 11.785 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.386 -2.475 9.411 1.00 0.00 C ATOM 0 H LEU A 204 58.294 1.435 11.246 1.00 0.00 H new ATOM 0 HA LEU A 204 61.034 0.837 11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.102 -0.639 11.946 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.679 -0.788 10.252 1.00 0.00 H new ATOM 0 HG LEU A 204 61.444 -1.566 11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.661 -3.825 11.685 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.064 -2.576 12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.978 -3.259 11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.039 -3.346 9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.365 -2.772 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.723 -1.724 8.696 1.00 0.00 H new ATOM 118 N LEU A 205 59.620 0.809 8.307 1.00 0.00 N ATOM 119 CA LEU A 205 59.868 0.872 6.858 1.00 0.00 C ATOM 120 C LEU A 205 60.628 2.124 6.394 1.00 0.00 C ATOM 121 O LEU A 205 61.079 2.183 5.267 1.00 0.00 O ATOM 122 CB LEU A 205 58.564 0.715 6.052 1.00 0.00 C ATOM 123 CG LEU A 205 58.086 -0.713 5.717 1.00 0.00 C ATOM 124 CD1 LEU A 205 59.109 -1.448 4.875 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.773 -1.498 6.945 1.00 0.00 C ATOM 0 H LEU A 205 58.633 0.720 8.549 1.00 0.00 H new ATOM 0 HA LEU A 205 60.525 0.026 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.768 1.212 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.685 1.255 5.113 1.00 0.00 H new ATOM 0 HG LEU A 205 57.166 -0.611 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.745 -2.452 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.269 -0.907 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 205 60.050 -1.515 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.440 -2.497 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.666 -1.574 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.984 -0.997 7.506 1.00 0.00 H new ATOM 137 N THR A 206 60.757 3.110 7.240 1.00 0.00 N ATOM 138 CA THR A 206 61.476 4.286 6.906 1.00 0.00 C ATOM 139 C THR A 206 63.021 4.028 6.924 1.00 0.00 C ATOM 140 O THR A 206 63.780 4.700 6.226 1.00 0.00 O ATOM 141 CB THR A 206 61.093 5.379 7.901 1.00 0.00 C ATOM 142 OG1 THR A 206 59.658 5.467 7.955 1.00 0.00 O ATOM 143 CG2 THR A 206 61.643 6.705 7.474 1.00 0.00 C ATOM 0 H THR A 206 60.361 3.110 8.180 1.00 0.00 H new ATOM 0 HA THR A 206 61.219 4.599 5.894 1.00 0.00 H new ATOM 0 HB THR A 206 61.505 5.128 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.397 6.164 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.357 7.468 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.730 6.647 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.243 6.967 6.495 1.00 0.00 H new ATOM 151 N THR A 207 63.469 3.047 7.701 1.00 0.00 N ATOM 152 CA THR A 207 64.901 2.767 7.798 1.00 0.00 C ATOM 153 C THR A 207 65.205 1.244 7.872 1.00 0.00 C ATOM 154 O THR A 207 66.295 0.795 7.499 1.00 0.00 O ATOM 155 CB THR A 207 65.534 3.533 9.010 1.00 0.00 C ATOM 156 OG1 THR A 207 66.960 3.354 9.054 1.00 0.00 O ATOM 157 CG2 THR A 207 64.923 3.091 10.339 1.00 0.00 C ATOM 0 H THR A 207 62.874 2.440 8.265 1.00 0.00 H new ATOM 0 HA THR A 207 65.363 3.131 6.880 1.00 0.00 H new ATOM 0 HB THR A 207 65.314 4.590 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.328 3.844 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.388 3.644 11.155 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.851 3.289 10.330 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.094 2.024 10.481 1.00 0.00 H new ATOM 165 N GLN A 208 64.242 0.490 8.328 1.00 0.00 N ATOM 166 CA GLN A 208 64.328 -0.936 8.482 1.00 0.00 C ATOM 167 C GLN A 208 63.788 -1.606 7.237 1.00 0.00 C ATOM 168 O GLN A 208 62.779 -1.186 6.700 1.00 0.00 O ATOM 169 CB GLN A 208 63.512 -1.340 9.699 1.00 0.00 C ATOM 170 CG GLN A 208 64.151 -1.011 11.022 1.00 0.00 C ATOM 171 CD GLN A 208 65.179 -2.032 11.390 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.350 -1.913 11.042 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.754 -3.037 12.108 1.00 0.00 N ATOM 0 H GLN A 208 63.339 0.869 8.614 1.00 0.00 H new ATOM 0 HA GLN A 208 65.364 -1.244 8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.541 -0.848 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.328 -2.414 9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.614 -0.026 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.386 -0.964 11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 208 63.771 -3.094 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.405 -3.765 12.403 1.00 0.00 H new ATOM 182 N CYS A 209 64.494 -2.637 6.811 1.00 0.00 N ATOM 183 CA CYS A 209 64.242 -3.423 5.612 1.00 0.00 C ATOM 184 C CYS A 209 62.767 -3.708 5.434 1.00 0.00 C ATOM 185 O CYS A 209 62.208 -3.323 4.423 1.00 0.00 O ATOM 186 CB CYS A 209 65.091 -4.723 5.645 1.00 0.00 C ATOM 187 SG CYS A 209 65.893 -5.168 4.065 1.00 0.00 S ATOM 0 H CYS A 209 65.310 -2.971 7.324 1.00 0.00 H new ATOM 0 HA CYS A 209 64.547 -2.842 4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.862 -4.615 6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.450 -5.549 5.954 1.00 0.00 H new ATOM 0 HG CYS A 209 66.555 -6.277 4.212 1.00 0.00 H new ATOM 192 N GLY A 210 62.197 -4.497 6.337 1.00 0.00 N ATOM 193 CA GLY A 210 60.750 -4.673 6.451 1.00 0.00 C ATOM 194 C GLY A 210 60.141 -5.464 5.349 1.00 0.00 C ATOM 195 O GLY A 210 58.986 -5.813 5.385 1.00 0.00 O ATOM 0 H GLY A 210 62.729 -5.039 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.529 -5.163 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.278 -3.691 6.482 1.00 0.00 H new ATOM 199 N VAL A 211 60.948 -5.805 4.424 1.00 0.00 N ATOM 200 CA VAL A 211 60.553 -6.461 3.258 1.00 0.00 C ATOM 201 C VAL A 211 60.321 -7.926 3.454 1.00 0.00 C ATOM 202 O VAL A 211 61.221 -8.665 3.822 1.00 0.00 O ATOM 203 CB VAL A 211 61.588 -6.169 2.212 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.990 -6.322 2.693 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.307 -6.795 0.877 1.00 0.00 C ATOM 0 H VAL A 211 61.951 -5.622 4.468 1.00 0.00 H new ATOM 0 HA VAL A 211 59.581 -6.087 2.937 1.00 0.00 H new ATOM 0 HB VAL A 211 61.493 -5.101 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.680 -6.094 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.167 -5.637 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 211 63.150 -7.347 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 211 62.102 -6.535 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 211 61.260 -7.879 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.355 -6.427 0.496 1.00 0.00 H new ATOM 215 N ILE A 212 59.095 -8.302 3.263 1.00 0.00 N ATOM 216 CA ILE A 212 58.660 -9.656 3.357 1.00 0.00 C ATOM 217 C ILE A 212 59.345 -10.415 2.238 1.00 0.00 C ATOM 218 O ILE A 212 59.089 -10.132 1.057 1.00 0.00 O ATOM 219 CB ILE A 212 57.114 -9.719 3.207 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.464 -8.751 4.213 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.617 -11.139 3.462 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.999 -8.465 3.960 1.00 0.00 C ATOM 0 H ILE A 212 58.346 -7.650 3.029 1.00 0.00 H new ATOM 0 HA ILE A 212 58.914 -10.094 4.322 1.00 0.00 H new ATOM 0 HB ILE A 212 56.841 -9.430 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.571 -9.165 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 212 57.012 -7.809 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.533 -11.170 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 212 57.073 -11.819 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.890 -11.444 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.627 -7.775 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.881 -8.019 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.433 -9.395 4.008 1.00 0.00 H new ATOM 313 N LYS A 218 58.429 -13.559 6.662 1.00 0.00 N ATOM 314 CA LYS A 218 57.838 -12.342 7.162 1.00 0.00 C ATOM 315 C LYS A 218 58.646 -11.134 6.709 1.00 0.00 C ATOM 316 O LYS A 218 59.467 -11.234 5.780 1.00 0.00 O ATOM 317 CB LYS A 218 57.762 -12.358 8.694 1.00 0.00 C ATOM 318 CG LYS A 218 59.106 -12.407 9.407 1.00 0.00 C ATOM 319 CD LYS A 218 58.927 -12.036 10.855 1.00 0.00 C ATOM 320 CE LYS A 218 60.203 -12.181 11.656 1.00 0.00 C ATOM 321 NZ LYS A 218 59.995 -11.807 13.069 1.00 0.00 N ATOM 0 HA LYS A 218 56.827 -12.273 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.225 -11.469 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.172 -13.221 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 218 59.534 -13.406 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 218 59.807 -11.722 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 218 58.576 -11.006 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 218 58.153 -12.666 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 218 60.556 -13.211 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 218 60.981 -11.553 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 60.887 -11.917 13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 59.681 -10.817 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 59.270 -12.423 13.488 1.00 0.00 H new ATOM 335 N MET A 219 58.393 -10.010 7.366 1.00 0.00 N ATOM 336 CA MET A 219 59.074 -8.747 7.112 1.00 0.00 C ATOM 337 C MET A 219 60.527 -8.876 7.450 1.00 0.00 C ATOM 338 O MET A 219 60.889 -9.531 8.427 1.00 0.00 O ATOM 339 CB MET A 219 58.481 -7.655 7.985 1.00 0.00 C ATOM 340 CG MET A 219 57.066 -7.359 7.733 1.00 0.00 C ATOM 341 SD MET A 219 56.368 -6.339 9.047 1.00 0.00 S ATOM 342 CE MET A 219 57.236 -4.814 8.759 1.00 0.00 C ATOM 0 H MET A 219 57.694 -9.949 8.106 1.00 0.00 H new ATOM 0 HA MET A 219 58.952 -8.494 6.059 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.596 -7.944 9.030 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.059 -6.742 7.841 1.00 0.00 H new ATOM 0 HG2 MET A 219 56.964 -6.845 6.777 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.505 -8.290 7.655 1.00 0.00 H new ATOM 0 HE1 MET A 219 57.935 -4.633 9.576 1.00 0.00 H new ATOM 0 HE2 MET A 219 57.785 -4.880 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 219 56.521 -3.993 8.705 1.00 0.00 H new ATOM 352 N CYS A 220 61.354 -8.261 6.658 1.00 0.00 N ATOM 353 CA CYS A 220 62.765 -8.314 6.905 1.00 0.00 C ATOM 354 C CYS A 220 63.120 -7.345 8.063 1.00 0.00 C ATOM 355 O CYS A 220 62.486 -6.332 8.213 1.00 0.00 O ATOM 356 CB CYS A 220 63.498 -7.968 5.638 1.00 0.00 C ATOM 357 SG CYS A 220 65.230 -8.290 5.722 1.00 0.00 S ATOM 0 H CYS A 220 61.079 -7.719 5.839 1.00 0.00 H new ATOM 0 HA CYS A 220 63.067 -9.317 7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.070 -8.536 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.342 -6.913 5.413 1.00 0.00 H new ATOM 0 HG CYS A 220 65.594 -8.981 4.683 1.00 0.00 H new ATOM 362 N THR A 221 64.130 -7.625 8.842 1.00 0.00 N ATOM 363 CA THR A 221 64.354 -6.794 10.038 1.00 0.00 C ATOM 364 C THR A 221 65.719 -6.034 10.118 1.00 0.00 C ATOM 365 O THR A 221 65.929 -5.278 11.051 1.00 0.00 O ATOM 366 CB THR A 221 64.071 -7.595 11.327 1.00 0.00 C ATOM 367 OG1 THR A 221 64.211 -6.778 12.504 1.00 0.00 O ATOM 368 CG2 THR A 221 65.006 -8.749 11.397 1.00 0.00 C ATOM 0 H THR A 221 64.796 -8.384 8.698 1.00 0.00 H new ATOM 0 HA THR A 221 63.628 -5.987 9.937 1.00 0.00 H new ATOM 0 HB THR A 221 63.040 -7.947 11.293 1.00 0.00 H new ATOM 0 HG1 THR A 221 64.707 -5.963 12.279 1.00 0.00 H new ATOM 0 HG21 THR A 221 64.812 -9.320 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 221 64.859 -9.390 10.527 1.00 0.00 H new ATOM 0 HG23 THR A 221 66.033 -8.385 11.410 1.00 0.00 H new ATOM 376 N ARG A 222 66.662 -6.250 9.210 1.00 0.00 N ATOM 377 CA ARG A 222 67.834 -5.347 9.182 1.00 0.00 C ATOM 378 C ARG A 222 67.455 -4.036 8.526 1.00 0.00 C ATOM 379 O ARG A 222 66.296 -3.808 8.262 1.00 0.00 O ATOM 380 CB ARG A 222 68.983 -5.946 8.415 1.00 0.00 C ATOM 381 CG ARG A 222 69.696 -7.047 9.121 1.00 0.00 C ATOM 382 CD ARG A 222 70.904 -7.481 8.314 1.00 0.00 C ATOM 383 NE ARG A 222 71.787 -6.352 7.950 1.00 0.00 N ATOM 384 CZ ARG A 222 72.599 -6.322 6.878 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.663 -7.371 6.046 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.348 -5.246 6.642 1.00 0.00 N ATOM 0 H ARG A 222 66.656 -6.995 8.514 1.00 0.00 H new ATOM 0 HA ARG A 222 68.146 -5.188 10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.609 -6.325 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.699 -5.157 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.009 -6.713 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.023 -7.892 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.474 -8.212 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 222 70.568 -7.981 7.405 1.00 0.00 H new ATOM 0 HE ARG A 222 71.780 -5.533 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.094 -8.199 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 222 73.281 -7.342 5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.305 -4.446 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 222 73.964 -5.222 5.830 1.00 0.00 H new ATOM 400 N SER A 223 68.428 -3.205 8.232 1.00 0.00 N ATOM 401 CA SER A 223 68.195 -1.945 7.513 1.00 0.00 C ATOM 402 C SER A 223 67.733 -2.263 6.070 1.00 0.00 C ATOM 403 O SER A 223 67.838 -3.429 5.638 1.00 0.00 O ATOM 404 CB SER A 223 69.498 -1.136 7.486 1.00 0.00 C ATOM 405 OG SER A 223 69.364 0.053 6.726 1.00 0.00 O ATOM 0 H SER A 223 69.404 -3.370 8.477 1.00 0.00 H new ATOM 0 HA SER A 223 67.422 -1.362 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.791 -0.885 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 223 70.297 -1.747 7.066 1.00 0.00 H new ATOM 0 HG SER A 223 68.463 0.420 6.848 1.00 0.00 H new ATOM 411 N LEU A 224 67.194 -1.262 5.324 1.00 0.00 N ATOM 412 CA LEU A 224 66.780 -1.473 3.922 1.00 0.00 C ATOM 413 C LEU A 224 67.946 -2.066 3.170 1.00 0.00 C ATOM 414 O LEU A 224 67.824 -3.132 2.576 1.00 0.00 O ATOM 415 CB LEU A 224 66.392 -0.180 3.235 1.00 0.00 C ATOM 416 CG LEU A 224 65.598 0.787 4.076 1.00 0.00 C ATOM 417 CD1 LEU A 224 65.559 2.093 3.411 1.00 0.00 C ATOM 418 CD2 LEU A 224 64.193 0.267 4.258 1.00 0.00 C ATOM 0 H LEU A 224 67.040 -0.315 5.670 1.00 0.00 H new ATOM 0 HA LEU A 224 65.911 -2.131 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 224 67.300 0.319 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.812 -0.422 2.344 1.00 0.00 H new ATOM 0 HG LEU A 224 66.070 0.891 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.985 2.793 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 224 66.575 2.468 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 224 65.088 1.990 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.622 0.968 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.716 0.159 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.225 -0.702 4.755 1.00 0.00 H new ATOM 430 N ARG A 225 69.117 -1.508 3.426 1.00 0.00 N ATOM 431 CA ARG A 225 70.366 -1.832 2.740 1.00 0.00 C ATOM 432 C ARG A 225 70.928 -3.213 3.096 1.00 0.00 C ATOM 433 O ARG A 225 72.079 -3.519 2.822 1.00 0.00 O ATOM 434 CB ARG A 225 71.369 -0.781 3.042 1.00 0.00 C ATOM 435 CG ARG A 225 71.703 -0.682 4.465 1.00 0.00 C ATOM 436 CD ARG A 225 72.694 0.382 4.636 1.00 0.00 C ATOM 437 NE ARG A 225 73.060 0.585 6.035 1.00 0.00 N ATOM 438 CZ ARG A 225 73.740 1.635 6.502 1.00 0.00 C ATOM 439 NH1 ARG A 225 74.224 2.548 5.668 1.00 0.00 N ATOM 440 NH2 ARG A 225 73.963 1.755 7.805 1.00 0.00 N ATOM 0 H ARG A 225 69.233 -0.791 4.142 1.00 0.00 H new ATOM 0 HA ARG A 225 70.145 -1.866 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 225 72.279 -0.985 2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.990 0.181 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.809 -0.465 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 225 72.099 -1.630 4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 225 73.588 0.138 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.298 1.312 4.229 1.00 0.00 H new ATOM 0 HE ARG A 225 72.775 -0.129 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 225 74.077 2.450 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 225 74.742 3.347 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 225 73.615 1.045 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.482 2.557 8.162 1.00 0.00 H new ATOM 454 N CYS A 226 70.100 -4.023 3.710 1.00 0.00 N ATOM 455 CA CYS A 226 70.413 -5.371 4.066 1.00 0.00 C ATOM 456 C CYS A 226 70.948 -6.254 2.883 1.00 0.00 C ATOM 457 O CYS A 226 72.044 -6.813 2.995 1.00 0.00 O ATOM 458 CB CYS A 226 69.159 -5.930 4.707 1.00 0.00 C ATOM 459 SG CYS A 226 68.638 -7.586 4.255 1.00 0.00 S ATOM 0 H CYS A 226 69.157 -3.744 3.982 1.00 0.00 H new ATOM 0 HA CYS A 226 71.255 -5.385 4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.301 -5.909 5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.338 -5.250 4.480 1.00 0.00 H new ATOM 0 HG CYS A 226 67.505 -7.857 4.832 1.00 0.00 H new ATOM 464 N PRO A 227 70.181 -6.438 1.767 1.00 0.00 N ATOM 465 CA PRO A 227 70.544 -7.341 0.690 1.00 0.00 C ATOM 466 C PRO A 227 70.443 -6.654 -0.728 1.00 0.00 C ATOM 467 O PRO A 227 71.153 -5.691 -1.019 1.00 0.00 O ATOM 468 CB PRO A 227 69.353 -8.275 0.902 1.00 0.00 C ATOM 469 CG PRO A 227 68.221 -7.295 1.224 1.00 0.00 C ATOM 470 CD PRO A 227 68.860 -5.963 1.483 1.00 0.00 C ATOM 0 HA PRO A 227 71.553 -7.753 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.137 -8.867 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.527 -8.977 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.517 -7.231 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.657 -7.629 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.822 -5.296 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.409 -5.429 2.319 1.00 0.00 H new ATOM 478 N GLN A 228 69.507 -7.154 -1.557 1.00 0.00 N ATOM 479 CA GLN A 228 69.232 -6.656 -2.868 1.00 0.00 C ATOM 480 C GLN A 228 67.728 -6.390 -2.899 1.00 0.00 C ATOM 481 O GLN A 228 67.079 -6.354 -3.943 1.00 0.00 O ATOM 482 CB GLN A 228 69.636 -7.713 -3.905 1.00 0.00 C ATOM 483 CG GLN A 228 69.531 -7.252 -5.357 1.00 0.00 C ATOM 484 CD GLN A 228 70.345 -5.999 -5.673 1.00 0.00 C ATOM 485 OE1 GLN A 228 69.950 -5.199 -6.524 1.00 0.00 O ATOM 486 NE2 GLN A 228 71.488 -5.832 -5.039 1.00 0.00 N ATOM 0 H GLN A 228 68.915 -7.943 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 228 69.788 -5.748 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.663 -8.021 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 228 69.008 -8.593 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 228 69.861 -8.061 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 228 68.484 -7.061 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 228 71.787 -6.512 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 228 72.073 -5.023 -5.247 1.00 0.00 H new ATOM 495 N HIS A 229 67.182 -6.208 -1.698 1.00 0.00 N ATOM 496 CA HIS A 229 65.807 -5.890 -1.530 1.00 0.00 C ATOM 497 C HIS A 229 65.548 -4.519 -2.198 1.00 0.00 C ATOM 498 O HIS A 229 66.241 -3.549 -1.946 1.00 0.00 O ATOM 499 CB HIS A 229 65.334 -5.959 -0.019 1.00 0.00 C ATOM 500 CG HIS A 229 65.057 -7.428 0.568 1.00 0.00 C ATOM 501 ND1 HIS A 229 64.249 -8.304 -0.035 1.00 0.00 N flip ATOM 502 CD2 HIS A 229 65.343 -8.018 1.963 1.00 0.00 C flip ATOM 503 CE1 HIS A 229 63.978 -9.323 0.824 1.00 0.00 C flip ATOM 504 NE2 HIS A 229 64.617 -9.082 1.968 1.00 0.00 N flip ATOM 0 H HIS A 229 67.702 -6.282 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 229 65.195 -6.646 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.092 -5.479 0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.422 -5.371 0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 229 65.989 -7.636 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 229 63.353 -10.179 0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 229 64.538 -9.691 2.782 1.00 0.00 H new ATOM 512 N THR A 230 64.601 -4.466 -3.060 1.00 0.00 N ATOM 513 CA THR A 230 64.420 -3.298 -3.904 1.00 0.00 C ATOM 514 C THR A 230 63.417 -2.296 -3.351 1.00 0.00 C ATOM 515 O THR A 230 62.746 -2.562 -2.354 1.00 0.00 O ATOM 516 CB THR A 230 63.989 -3.721 -5.322 1.00 0.00 C ATOM 517 OG1 THR A 230 62.786 -4.490 -5.230 1.00 0.00 O ATOM 518 CG2 THR A 230 65.060 -4.565 -5.987 1.00 0.00 C ATOM 0 H THR A 230 63.924 -5.213 -3.216 1.00 0.00 H new ATOM 0 HA THR A 230 65.388 -2.798 -3.933 1.00 0.00 H new ATOM 0 HB THR A 230 63.830 -2.824 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.503 -4.763 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.730 -4.850 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 230 65.983 -3.990 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.237 -5.462 -5.394 1.00 0.00 H new ATOM 526 N ASP A 231 63.334 -1.150 -4.024 1.00 0.00 N ATOM 527 CA ASP A 231 62.338 -0.093 -3.774 1.00 0.00 C ATOM 528 C ASP A 231 60.955 -0.682 -3.873 1.00 0.00 C ATOM 529 O ASP A 231 60.108 -0.459 -3.019 1.00 0.00 O ATOM 530 CB ASP A 231 62.493 1.015 -4.851 1.00 0.00 C ATOM 531 CG ASP A 231 61.343 2.039 -4.902 1.00 0.00 C ATOM 532 OD1 ASP A 231 60.284 1.739 -5.502 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.502 3.176 -4.424 1.00 0.00 O ATOM 0 H ASP A 231 63.975 -0.918 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 231 62.490 0.329 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 231 63.426 1.548 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 231 62.581 0.541 -5.829 1.00 0.00 H new ATOM 538 N GLU A 232 60.792 -1.548 -4.868 1.00 0.00 N ATOM 539 CA GLU A 232 59.526 -2.157 -5.199 1.00 0.00 C ATOM 540 C GLU A 232 59.132 -3.079 -4.084 1.00 0.00 C ATOM 541 O GLU A 232 57.975 -3.186 -3.704 1.00 0.00 O ATOM 542 CB GLU A 232 59.689 -2.941 -6.495 1.00 0.00 C ATOM 543 CG GLU A 232 60.295 -2.110 -7.608 1.00 0.00 C ATOM 544 CD GLU A 232 60.328 -2.807 -8.928 1.00 0.00 C ATOM 545 OE1 GLU A 232 61.264 -3.583 -9.194 1.00 0.00 O ATOM 546 OE2 GLU A 232 59.433 -2.564 -9.751 1.00 0.00 O ATOM 0 H GLU A 232 61.557 -1.846 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 232 58.753 -1.399 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.320 -3.811 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 232 58.716 -3.314 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.727 -1.185 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.311 -1.831 -7.329 1.00 0.00 H new ATOM 553 N GLN A 233 60.133 -3.688 -3.540 1.00 0.00 N ATOM 554 CA GLN A 233 60.014 -4.599 -2.457 1.00 0.00 C ATOM 555 C GLN A 233 59.584 -3.951 -1.161 1.00 0.00 C ATOM 556 O GLN A 233 58.763 -4.497 -0.428 1.00 0.00 O ATOM 557 CB GLN A 233 61.304 -5.362 -2.301 1.00 0.00 C ATOM 558 CG GLN A 233 61.396 -6.470 -3.296 1.00 0.00 C ATOM 559 CD GLN A 233 62.486 -7.423 -3.007 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.603 -7.223 -3.625 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.295 -8.385 -2.274 1.00 0.00 N flip ATOM 0 H GLN A 233 61.095 -3.557 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 233 59.209 -5.292 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.148 -4.684 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.370 -5.769 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.448 -7.008 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.546 -6.046 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 233 61.395 -8.500 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.036 -9.071 -2.130 1.00 0.00 H new ATOM 570 N ARG A 234 60.101 -2.796 -0.884 1.00 0.00 N ATOM 571 CA ARG A 234 59.751 -2.123 0.350 1.00 0.00 C ATOM 572 C ARG A 234 58.404 -1.439 0.151 1.00 0.00 C ATOM 573 O ARG A 234 57.589 -1.336 1.073 1.00 0.00 O ATOM 574 CB ARG A 234 60.784 -1.086 0.701 1.00 0.00 C ATOM 575 CG ARG A 234 62.218 -1.463 0.396 1.00 0.00 C ATOM 576 CD ARG A 234 62.737 -2.533 1.119 1.00 0.00 C ATOM 577 NE ARG A 234 64.057 -2.618 0.587 1.00 0.00 N ATOM 578 CZ ARG A 234 65.048 -2.875 1.196 1.00 0.00 C ATOM 579 NH1 ARG A 234 64.944 -3.159 2.421 1.00 0.00 N ATOM 580 NH2 ARG A 234 66.207 -2.821 0.595 1.00 0.00 N ATOM 0 H ARG A 234 60.760 -2.295 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 234 59.704 -2.851 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 234 60.547 -0.167 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 234 60.704 -0.865 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.292 -1.698 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 234 62.847 -0.591 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 234 62.738 -2.342 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.170 -3.450 0.959 1.00 0.00 H new ATOM 0 HE ARG A 234 64.163 -2.442 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 234 64.027 -3.165 2.867 1.00 0.00 H new ATOM 0 HH12 ARG A 234 65.777 -3.383 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 234 66.259 -2.560 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 234 67.059 -3.040 1.111 1.00 0.00 H new ATOM 594 N ARG A 235 58.171 -1.012 -1.091 1.00 0.00 N ATOM 595 CA ARG A 235 56.932 -0.371 -1.516 1.00 0.00 C ATOM 596 C ARG A 235 55.818 -1.348 -1.305 1.00 0.00 C ATOM 597 O ARG A 235 54.799 -1.025 -0.724 1.00 0.00 O ATOM 598 CB ARG A 235 57.039 -0.002 -2.997 1.00 0.00 C ATOM 599 CG ARG A 235 55.815 0.654 -3.597 1.00 0.00 C ATOM 600 CD ARG A 235 56.061 1.014 -5.052 1.00 0.00 C ATOM 601 NE ARG A 235 56.219 -0.162 -5.930 1.00 0.00 N ATOM 602 CZ ARG A 235 57.085 -0.234 -6.956 1.00 0.00 C ATOM 603 NH1 ARG A 235 58.109 0.615 -7.026 1.00 0.00 N ATOM 604 NH2 ARG A 235 56.978 -1.210 -7.860 1.00 0.00 N ATOM 0 H ARG A 235 58.854 -1.105 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 235 56.745 0.538 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 235 57.889 0.669 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.259 -0.907 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 235 54.961 -0.020 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.563 1.552 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.230 1.619 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.957 1.631 -5.119 1.00 0.00 H new ATOM 0 HE ARG A 235 55.631 -0.975 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 235 58.237 1.321 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 235 58.765 0.559 -7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 235 56.237 -1.905 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 235 57.637 -1.260 -8.637 1.00 0.00 H new ATOM 618 N THR A 236 56.084 -2.554 -1.741 1.00 0.00 N ATOM 619 CA THR A 236 55.246 -3.705 -1.578 1.00 0.00 C ATOM 620 C THR A 236 54.793 -3.887 -0.124 1.00 0.00 C ATOM 621 O THR A 236 53.629 -4.097 0.132 1.00 0.00 O ATOM 622 CB THR A 236 56.036 -4.942 -2.108 1.00 0.00 C ATOM 623 OG1 THR A 236 55.817 -5.148 -3.512 1.00 0.00 O ATOM 624 CG2 THR A 236 55.872 -6.221 -1.284 1.00 0.00 C ATOM 0 H THR A 236 56.943 -2.766 -2.248 1.00 0.00 H new ATOM 0 HA THR A 236 54.326 -3.580 -2.150 1.00 0.00 H new ATOM 0 HB THR A 236 57.087 -4.686 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 236 56.445 -4.598 -4.025 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.460 -7.021 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.218 -6.045 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 236 54.821 -6.509 -1.265 1.00 0.00 H new ATOM 632 N VAL A 237 55.701 -3.739 0.800 1.00 0.00 N ATOM 633 CA VAL A 237 55.397 -3.931 2.189 1.00 0.00 C ATOM 634 C VAL A 237 54.613 -2.767 2.770 1.00 0.00 C ATOM 635 O VAL A 237 53.610 -2.962 3.453 1.00 0.00 O ATOM 636 CB VAL A 237 56.678 -4.208 2.979 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.470 -4.131 4.464 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.184 -5.563 2.613 1.00 0.00 C ATOM 0 H VAL A 237 56.670 -3.483 0.611 1.00 0.00 H new ATOM 0 HA VAL A 237 54.750 -4.804 2.273 1.00 0.00 H new ATOM 0 HB VAL A 237 57.404 -3.437 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.411 -4.336 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.122 -3.133 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.726 -4.868 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 237 58.097 -5.773 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.430 -6.311 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.395 -5.596 1.544 1.00 0.00 H new ATOM 648 N ARG A 238 55.038 -1.578 2.465 1.00 0.00 N ATOM 649 CA ARG A 238 54.382 -0.381 2.966 1.00 0.00 C ATOM 650 C ARG A 238 52.963 -0.289 2.418 1.00 0.00 C ATOM 651 O ARG A 238 52.029 -0.026 3.156 1.00 0.00 O ATOM 652 CB ARG A 238 55.163 0.852 2.536 1.00 0.00 C ATOM 653 CG ARG A 238 56.538 1.011 3.146 1.00 0.00 C ATOM 654 CD ARG A 238 57.391 1.868 2.245 1.00 0.00 C ATOM 655 NE ARG A 238 58.712 2.201 2.782 1.00 0.00 N ATOM 656 CZ ARG A 238 59.844 2.249 2.043 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.795 2.126 0.723 1.00 0.00 N ATOM 658 NH2 ARG A 238 61.014 2.447 2.617 1.00 0.00 N ATOM 0 H ARG A 238 55.844 -1.398 1.866 1.00 0.00 H new ATOM 0 HA ARG A 238 54.345 -0.433 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.269 0.831 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.574 1.735 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.459 1.468 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.002 0.034 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.521 1.352 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.856 2.794 2.035 1.00 0.00 H new ATOM 0 HE ARG A 238 58.783 2.410 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.898 1.994 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.654 2.164 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 238 61.072 2.566 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.861 2.481 2.050 1.00 0.00 H new ATOM 672 N VAL A 239 52.819 -0.553 1.139 1.00 0.00 N ATOM 673 CA VAL A 239 51.542 -0.433 0.450 1.00 0.00 C ATOM 674 C VAL A 239 50.577 -1.516 0.954 1.00 0.00 C ATOM 675 O VAL A 239 49.361 -1.338 0.997 1.00 0.00 O ATOM 676 CB VAL A 239 51.774 -0.531 -1.092 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.734 -1.931 -1.626 1.00 0.00 C ATOM 678 CG2 VAL A 239 50.891 0.370 -1.887 1.00 0.00 C ATOM 0 H VAL A 239 53.585 -0.859 0.539 1.00 0.00 H new ATOM 0 HA VAL A 239 51.090 0.536 0.661 1.00 0.00 H new ATOM 0 HB VAL A 239 52.796 -0.175 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.903 -1.915 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 239 52.511 -2.526 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.759 -2.372 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.108 0.248 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 239 49.848 0.116 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.071 1.405 -1.596 1.00 0.00 H new ATOM 688 N TYR A 240 51.152 -2.608 1.344 1.00 0.00 N ATOM 689 CA TYR A 240 50.444 -3.737 1.904 1.00 0.00 C ATOM 690 C TYR A 240 49.981 -3.438 3.338 1.00 0.00 C ATOM 691 O TYR A 240 48.808 -3.620 3.679 1.00 0.00 O ATOM 692 CB TYR A 240 51.382 -4.957 1.866 1.00 0.00 C ATOM 693 CG TYR A 240 50.919 -6.189 2.583 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.099 -7.114 1.969 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.331 -6.432 3.877 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.695 -8.251 2.630 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.938 -7.550 4.546 1.00 0.00 C ATOM 698 CZ TYR A 240 50.117 -8.465 3.921 1.00 0.00 C ATOM 699 OH TYR A 240 49.713 -9.591 4.597 1.00 0.00 O ATOM 0 H TYR A 240 52.160 -2.753 1.284 1.00 0.00 H new ATOM 0 HA TYR A 240 49.548 -3.943 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.558 -5.218 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.343 -4.660 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.770 -6.943 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 240 51.978 -5.721 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 240 49.053 -8.968 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.267 -7.720 5.561 1.00 0.00 H new ATOM 0 HH TYR A 240 50.101 -9.589 5.497 1.00 0.00 H new ATOM 709 N PHE A 241 50.898 -2.996 4.166 1.00 0.00 N ATOM 710 CA PHE A 241 50.608 -2.719 5.555 1.00 0.00 C ATOM 711 C PHE A 241 49.899 -1.390 5.811 1.00 0.00 C ATOM 712 O PHE A 241 48.819 -1.366 6.407 1.00 0.00 O ATOM 713 CB PHE A 241 51.900 -2.713 6.335 1.00 0.00 C ATOM 714 CG PHE A 241 52.453 -4.050 6.694 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.719 -4.959 7.438 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.722 -4.383 6.318 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.264 -6.183 7.786 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.271 -5.598 6.669 1.00 0.00 C ATOM 719 CZ PHE A 241 53.550 -6.491 7.397 1.00 0.00 C ATOM 0 H PHE A 241 51.866 -2.818 3.897 1.00 0.00 H new ATOM 0 HA PHE A 241 49.924 -3.506 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.650 -2.176 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.744 -2.148 7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.715 -4.711 7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.305 -3.684 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.685 -6.892 8.359 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.278 -5.841 6.364 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.984 -7.441 7.670 1.00 0.00 H new ATOM 729 N LEU A 242 50.451 -0.306 5.327 1.00 0.00 N ATOM 730 CA LEU A 242 49.927 0.999 5.674 1.00 0.00 C ATOM 731 C LEU A 242 49.024 1.615 4.619 1.00 0.00 C ATOM 732 O LEU A 242 48.469 2.698 4.829 1.00 0.00 O ATOM 733 CB LEU A 242 50.995 1.992 6.236 1.00 0.00 C ATOM 734 CG LEU A 242 52.367 2.081 5.546 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.942 3.466 5.759 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.341 1.059 6.155 1.00 0.00 C ATOM 0 H LEU A 242 51.254 -0.296 4.698 1.00 0.00 H new ATOM 0 HA LEU A 242 49.266 0.794 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.555 2.989 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.168 1.732 7.280 1.00 0.00 H new ATOM 0 HG LEU A 242 52.236 1.874 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.915 3.535 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.269 4.209 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.057 3.652 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.307 1.135 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.465 1.263 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.942 0.053 6.023 1.00 0.00 H new ATOM 748 N GLY A 243 48.848 0.938 3.508 1.00 0.00 N ATOM 749 CA GLY A 243 47.875 1.390 2.549 1.00 0.00 C ATOM 750 C GLY A 243 48.448 1.714 1.190 1.00 0.00 C ATOM 751 O GLY A 243 49.655 1.862 1.044 1.00 0.00 O ATOM 0 H GLY A 243 49.355 0.091 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.110 0.622 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.379 2.277 2.942 1.00 0.00 H new