USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 269 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 242 GLN : amide:sc= 0.431 X(o=0.92,f=0.65) USER MOD Set 1.2: A 244 THR OG1 : rot 90:sc= 0.489 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 247 GLN : amide:sc= -0.0515 X(o=-0.052,f=0.34) USER MOD Single : A 249 GLN : amide:sc= -3.76! K(o=-3.8!,f=-0.7) USER MOD Single : A 251 TYR OH : rot -30:sc= 0.417 USER MOD Single : A 254 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.3) USER MOD Single : A 255 THR OG1 : rot 53:sc= 0.112 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 257 THR OG1 : rot -49:sc= 0.0117 USER MOD Single : A 260 SER OG : rot 44:sc= 0.042 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HE2:sc= -0.921 K(o=-0.92,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 9.456 4.409 1.941 1.00 15.00 N ATOM 17 CA LEU A 236 9.402 2.954 1.891 1.00 15.00 C ATOM 18 C LEU A 236 10.723 2.369 1.430 1.00 15.00 C ATOM 19 O LEU A 236 11.494 3.010 0.712 1.00 15.00 O ATOM 20 CB LEU A 236 8.313 2.434 0.926 1.00 15.00 C ATOM 21 CG LEU A 236 6.986 3.202 0.863 1.00 15.00 C ATOM 22 CD1 LEU A 236 6.396 3.376 2.247 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.165 4.544 0.178 1.00 15.00 C ATOM 0 HA LEU A 236 9.171 2.639 2.909 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.737 2.415 -0.078 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.090 1.402 1.197 1.00 15.00 H new ATOM 0 HG LEU A 236 6.286 2.614 0.269 1.00 15.00 H new ATOM 0 HD11 LEU A 236 5.456 3.923 2.176 1.00 15.00 H new ATOM 0 HD12 LEU A 236 6.213 2.397 2.690 1.00 15.00 H new ATOM 0 HD13 LEU A 236 7.094 3.933 2.872 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.209 5.067 0.147 1.00 15.00 H new ATOM 0 HD22 LEU A 236 7.888 5.142 0.733 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.526 4.388 -0.838 1.00 15.00 H new ATOM 35 N PRO A 237 10.966 1.123 1.828 1.00 15.00 N ATOM 36 CA PRO A 237 12.003 0.285 1.230 1.00 15.00 C ATOM 37 C PRO A 237 11.629 -0.107 -0.186 1.00 15.00 C ATOM 38 O PRO A 237 10.483 0.044 -0.619 1.00 15.00 O ATOM 39 CB PRO A 237 12.027 -0.964 2.125 1.00 15.00 C ATOM 40 CG PRO A 237 11.283 -0.594 3.364 1.00 15.00 C ATOM 41 CD PRO A 237 10.309 0.479 2.970 1.00 15.00 C ATOM 0 HA PRO A 237 12.965 0.794 1.171 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.557 -1.811 1.626 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.050 -1.258 2.357 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.763 -1.458 3.777 1.00 15.00 H new ATOM 0 HG3 PRO A 237 11.966 -0.235 4.134 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.340 0.062 2.695 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.134 1.183 3.784 1.00 15.00 H new ATOM 49 N GLU A 238 12.605 -0.631 -0.884 1.00 15.00 N ATOM 50 CA GLU A 238 12.456 -0.956 -2.295 1.00 15.00 C ATOM 51 C GLU A 238 11.513 -2.130 -2.500 1.00 15.00 C ATOM 52 O GLU A 238 11.792 -3.259 -2.088 1.00 15.00 O ATOM 53 CB GLU A 238 13.809 -1.278 -2.914 1.00 15.00 C ATOM 54 CG GLU A 238 14.676 -0.059 -3.153 1.00 15.00 C ATOM 55 CD GLU A 238 16.097 -0.424 -3.528 1.00 15.00 C ATOM 56 OE1 GLU A 238 16.282 -1.263 -4.436 1.00 15.00 O ATOM 57 OE2 GLU A 238 17.039 0.129 -2.925 1.00 15.00 O1- ATOM 0 H GLU A 238 13.525 -0.847 -0.499 1.00 15.00 H new ATOM 0 HA GLU A 238 12.030 -0.082 -2.787 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.342 -1.969 -2.261 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.652 -1.792 -3.862 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.237 0.545 -3.947 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.688 0.557 -2.254 1.00 15.00 H new ATOM 64 N GLY A 239 10.392 -1.837 -3.139 1.00 15.00 N ATOM 65 CA GLY A 239 9.405 -2.857 -3.427 1.00 15.00 C ATOM 66 C GLY A 239 7.976 -2.358 -3.296 1.00 15.00 C ATOM 67 O GLY A 239 7.050 -2.972 -3.826 1.00 15.00 O ATOM 0 H GLY A 239 10.146 -0.903 -3.466 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.562 -3.230 -4.439 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.553 -3.699 -2.750 1.00 15.00 H new ATOM 71 N TYR A 240 7.786 -1.246 -2.593 1.00 15.00 N ATOM 72 CA TYR A 240 6.443 -0.718 -2.353 1.00 15.00 C ATOM 73 C TYR A 240 6.141 0.450 -3.277 1.00 15.00 C ATOM 74 O TYR A 240 6.943 1.378 -3.402 1.00 15.00 O ATOM 75 CB TYR A 240 6.303 -0.235 -0.904 1.00 15.00 C ATOM 76 CG TYR A 240 6.762 -1.240 0.120 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.031 -1.164 0.670 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.933 -2.274 0.522 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.467 -2.090 1.586 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.359 -3.207 1.445 1.00 15.00 C ATOM 81 CZ TYR A 240 7.629 -3.114 1.974 1.00 15.00 C ATOM 82 OH TYR A 240 8.059 -4.051 2.888 1.00 15.00 O ATOM 0 H TYR A 240 8.538 -0.694 -2.181 1.00 15.00 H new ATOM 0 HA TYR A 240 5.739 -1.528 -2.546 1.00 15.00 H new ATOM 0 HB2 TYR A 240 6.877 0.683 -0.780 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.259 0.013 -0.713 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.690 -0.362 0.373 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.939 -2.351 0.107 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.462 -2.016 2.000 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.701 -4.006 1.752 1.00 15.00 H new ATOM 0 HH TYR A 240 7.344 -4.701 3.051 1.00 15.00 H new ATOM 92 N GLU A 241 4.982 0.411 -3.911 1.00 15.00 N ATOM 93 CA GLU A 241 4.488 1.559 -4.645 1.00 15.00 C ATOM 94 C GLU A 241 3.429 2.272 -3.813 1.00 15.00 C ATOM 95 O GLU A 241 2.590 1.632 -3.170 1.00 15.00 O ATOM 96 CB GLU A 241 3.914 1.157 -6.012 1.00 15.00 C ATOM 97 CG GLU A 241 2.712 0.225 -5.950 1.00 15.00 C ATOM 98 CD GLU A 241 1.815 0.380 -7.163 1.00 15.00 C ATOM 99 OE1 GLU A 241 0.775 1.065 -7.053 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.161 -0.126 -8.248 1.00 15.00 O1- ATOM 0 H GLU A 241 4.367 -0.403 -3.931 1.00 15.00 H new ATOM 0 HA GLU A 241 5.325 2.232 -4.832 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.628 2.061 -6.550 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.700 0.675 -6.593 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.056 -0.807 -5.882 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.139 0.431 -5.046 1.00 15.00 H new ATOM 107 N GLN A 242 3.473 3.591 -3.817 1.00 15.00 N ATOM 108 CA GLN A 242 2.523 4.386 -3.061 1.00 15.00 C ATOM 109 C GLN A 242 1.311 4.689 -3.930 1.00 15.00 C ATOM 110 O GLN A 242 1.404 5.429 -4.908 1.00 15.00 O ATOM 111 CB GLN A 242 3.203 5.672 -2.573 1.00 15.00 C ATOM 112 CG GLN A 242 2.441 6.444 -1.503 1.00 15.00 C ATOM 113 CD GLN A 242 1.404 7.397 -2.061 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.703 8.554 -2.357 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.176 6.929 -2.181 1.00 15.00 N ATOM 0 H GLN A 242 4.160 4.137 -4.338 1.00 15.00 H new ATOM 0 HA GLN A 242 2.182 3.833 -2.186 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.188 5.417 -2.182 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.360 6.328 -3.429 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.949 5.735 -0.837 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.152 7.008 -0.899 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.029 5.963 -1.924 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.568 7.533 -2.530 1.00 15.00 H new ATOM 124 N ARG A 243 0.182 4.082 -3.597 1.00 15.00 N ATOM 125 CA ARG A 243 -1.033 4.281 -4.368 1.00 15.00 C ATOM 126 C ARG A 243 -2.080 5.046 -3.565 1.00 15.00 C ATOM 127 O ARG A 243 -2.409 4.683 -2.436 1.00 15.00 O ATOM 128 CB ARG A 243 -1.600 2.942 -4.849 1.00 15.00 C ATOM 129 CG ARG A 243 -2.824 3.106 -5.733 1.00 15.00 C ATOM 130 CD ARG A 243 -2.917 2.016 -6.789 1.00 15.00 C ATOM 131 NE ARG A 243 -3.555 2.501 -8.025 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.841 2.867 -8.147 1.00 15.00 C ATOM 133 NH1 ARG A 243 -5.697 2.718 -7.150 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.276 3.343 -9.304 1.00 15.00 N ATOM 0 H ARG A 243 0.083 3.451 -2.802 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.774 4.880 -5.241 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.829 2.403 -5.400 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.861 2.331 -3.985 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.722 3.089 -5.115 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.791 4.080 -6.220 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.918 1.646 -7.018 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.486 1.175 -6.393 1.00 15.00 H new ATOM 0 HE ARG A 243 -2.970 2.564 -8.858 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -5.385 2.318 -6.265 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -6.669 3.003 -7.266 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -4.636 3.429 -10.093 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -6.251 3.623 -9.406 1.00 15.00 H new ATOM 148 N THR A 244 -2.603 6.100 -4.173 1.00 15.00 N ATOM 149 CA THR A 244 -3.607 6.943 -3.550 1.00 15.00 C ATOM 150 C THR A 244 -4.928 6.812 -4.297 1.00 15.00 C ATOM 151 O THR A 244 -4.986 6.994 -5.513 1.00 15.00 O ATOM 152 CB THR A 244 -3.170 8.423 -3.552 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.830 8.538 -3.051 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.105 9.270 -2.698 1.00 15.00 C ATOM 0 H THR A 244 -2.341 6.394 -5.114 1.00 15.00 H new ATOM 0 HA THR A 244 -3.728 6.615 -2.517 1.00 15.00 H new ATOM 0 HB THR A 244 -3.211 8.787 -4.579 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.195 8.464 -3.794 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.774 10.308 -2.717 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.118 9.205 -3.094 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.092 8.904 -1.671 1.00 15.00 H new ATOM 162 N THR A 245 -5.975 6.479 -3.570 1.00 15.00 N ATOM 163 CA THR A 245 -7.293 6.329 -4.156 1.00 15.00 C ATOM 164 C THR A 245 -8.197 7.485 -3.748 1.00 15.00 C ATOM 165 O THR A 245 -8.007 8.084 -2.686 1.00 15.00 O ATOM 166 CB THR A 245 -7.950 4.982 -3.771 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.339 4.991 -4.125 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.794 4.688 -2.287 1.00 15.00 C ATOM 0 H THR A 245 -5.939 6.306 -2.565 1.00 15.00 H new ATOM 0 HA THR A 245 -7.165 6.339 -5.238 1.00 15.00 H new ATOM 0 HB THR A 245 -7.440 4.194 -4.325 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.745 4.134 -3.879 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.267 3.734 -2.053 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.735 4.639 -2.035 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.268 5.480 -1.707 1.00 15.00 H new ATOM 176 N VAL A 246 -9.147 7.817 -4.623 1.00 15.00 N ATOM 177 CA VAL A 246 -10.156 8.852 -4.364 1.00 15.00 C ATOM 178 C VAL A 246 -10.826 8.677 -2.998 1.00 15.00 C ATOM 179 O VAL A 246 -11.416 9.614 -2.454 1.00 15.00 O ATOM 180 CB VAL A 246 -11.241 8.839 -5.453 1.00 15.00 C ATOM 181 CG1 VAL A 246 -10.672 9.311 -6.781 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.852 7.451 -5.599 1.00 15.00 C ATOM 0 H VAL A 246 -9.241 7.375 -5.537 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.630 9.807 -4.372 1.00 15.00 H new ATOM 0 HB VAL A 246 -12.030 9.527 -5.150 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -11.455 9.295 -7.539 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -10.292 10.327 -6.674 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.860 8.650 -7.084 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.616 7.470 -6.376 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -11.074 6.738 -5.873 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -12.303 7.151 -4.653 1.00 15.00 H new ATOM 192 N GLN A 247 -10.740 7.463 -2.476 1.00 15.00 N ATOM 193 CA GLN A 247 -11.155 7.132 -1.114 1.00 15.00 C ATOM 194 C GLN A 247 -10.530 8.088 -0.081 1.00 15.00 C ATOM 195 O GLN A 247 -11.023 8.223 1.038 1.00 15.00 O ATOM 196 CB GLN A 247 -10.736 5.685 -0.825 1.00 15.00 C ATOM 197 CG GLN A 247 -10.992 5.200 0.590 1.00 15.00 C ATOM 198 CD GLN A 247 -12.465 5.135 0.934 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.035 6.084 1.468 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.090 4.021 0.614 1.00 15.00 N ATOM 0 H GLN A 247 -10.374 6.664 -2.993 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.237 7.240 -1.033 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.263 5.028 -1.516 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.672 5.584 -1.038 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.551 4.211 0.715 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.489 5.864 1.293 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.578 3.258 0.172 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.086 3.921 0.808 1.00 15.00 H new ATOM 209 N GLY A 248 -9.426 8.729 -0.456 1.00 15.00 N ATOM 210 CA GLY A 248 -8.780 9.681 0.426 1.00 15.00 C ATOM 211 C GLY A 248 -7.744 9.020 1.309 1.00 15.00 C ATOM 212 O GLY A 248 -7.270 9.609 2.280 1.00 15.00 O ATOM 0 H GLY A 248 -8.967 8.604 -1.358 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.305 10.462 -0.168 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.531 10.166 1.049 1.00 15.00 H new ATOM 216 N GLN A 249 -7.396 7.789 0.971 1.00 15.00 N ATOM 217 CA GLN A 249 -6.440 7.023 1.753 1.00 15.00 C ATOM 218 C GLN A 249 -5.384 6.431 0.833 1.00 15.00 C ATOM 219 O GLN A 249 -5.660 6.125 -0.329 1.00 15.00 O ATOM 220 CB GLN A 249 -7.149 5.899 2.516 1.00 15.00 C ATOM 221 CG GLN A 249 -8.382 6.349 3.274 1.00 15.00 C ATOM 222 CD GLN A 249 -8.998 5.261 4.128 1.00 15.00 C ATOM 223 OE1 GLN A 249 -8.643 5.094 5.293 1.00 15.00 O ATOM 224 NE2 GLN A 249 -9.934 4.522 3.557 1.00 15.00 N ATOM 0 H GLN A 249 -7.763 7.297 0.156 1.00 15.00 H new ATOM 0 HA GLN A 249 -5.964 7.688 2.474 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.434 5.119 1.810 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.446 5.452 3.219 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.119 7.194 3.910 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.126 6.706 2.562 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.199 4.694 2.587 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.391 3.780 4.086 1.00 15.00 H new ATOM 233 N VAL A 250 -4.183 6.263 1.356 1.00 15.00 N ATOM 234 CA VAL A 250 -3.098 5.664 0.598 1.00 15.00 C ATOM 235 C VAL A 250 -2.894 4.216 1.035 1.00 15.00 C ATOM 236 O VAL A 250 -2.970 3.908 2.223 1.00 15.00 O ATOM 237 CB VAL A 250 -1.777 6.457 0.770 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.935 7.871 0.235 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.338 6.491 2.228 1.00 15.00 C ATOM 0 H VAL A 250 -3.933 6.534 2.307 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.372 5.693 -0.457 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.003 5.946 0.197 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -0.999 8.415 0.363 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.191 7.833 -0.824 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.728 8.380 0.782 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.409 7.054 2.315 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.111 6.970 2.830 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.180 5.473 2.584 1.00 15.00 H new ATOM 249 N TYR A 251 -2.661 3.325 0.084 1.00 15.00 N ATOM 250 CA TYR A 251 -2.398 1.937 0.423 1.00 15.00 C ATOM 251 C TYR A 251 -1.080 1.479 -0.190 1.00 15.00 C ATOM 252 O TYR A 251 -0.841 1.637 -1.390 1.00 15.00 O ATOM 253 CB TYR A 251 -3.598 1.024 0.058 1.00 15.00 C ATOM 254 CG TYR A 251 -4.100 1.042 -1.385 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.087 1.933 -1.796 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.652 0.107 -2.317 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.601 1.884 -3.079 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.151 0.065 -3.595 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.126 0.949 -3.973 1.00 15.00 C ATOM 260 OH TYR A 251 -5.635 0.897 -5.248 1.00 15.00 O ATOM 0 H TYR A 251 -2.649 3.534 -0.914 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.287 1.855 1.504 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.324 -0.002 0.303 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.432 1.294 0.705 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.457 2.674 -1.103 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -2.892 -0.603 -2.026 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.373 2.577 -3.380 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -3.776 -0.662 -4.300 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.569 1.194 -5.240 1.00 15.00 H new ATOM 270 N PHE A 252 -0.229 0.911 0.663 1.00 15.00 N ATOM 271 CA PHE A 252 1.140 0.562 0.294 1.00 15.00 C ATOM 272 C PHE A 252 1.221 -0.829 -0.260 1.00 15.00 C ATOM 273 O PHE A 252 1.054 -1.809 0.472 1.00 15.00 O ATOM 274 CB PHE A 252 2.070 0.661 1.497 1.00 15.00 C ATOM 275 CG PHE A 252 2.438 2.082 1.821 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.340 2.572 3.116 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.844 2.941 0.814 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.644 3.890 3.396 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.154 4.256 1.089 1.00 15.00 C ATOM 280 CZ PHE A 252 3.053 4.732 2.382 1.00 15.00 C ATOM 0 H PHE A 252 -0.469 0.681 1.627 1.00 15.00 H new ATOM 0 HA PHE A 252 1.451 1.272 -0.472 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.589 0.207 2.363 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.977 0.090 1.300 1.00 15.00 H new ATOM 0 HD1 PHE A 252 2.023 1.916 3.913 1.00 15.00 H new ATOM 0 HD2 PHE A 252 2.919 2.576 -0.200 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.562 4.261 4.407 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.475 4.913 0.295 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.294 5.762 2.599 1.00 15.00 H new ATOM 290 N LEU A 253 1.471 -0.913 -1.555 1.00 15.00 N ATOM 291 CA LEU A 253 1.482 -2.189 -2.228 1.00 15.00 C ATOM 292 C LEU A 253 2.851 -2.635 -2.677 1.00 15.00 C ATOM 293 O LEU A 253 3.621 -1.903 -3.295 1.00 15.00 O ATOM 294 CB LEU A 253 0.468 -2.237 -3.369 1.00 15.00 C ATOM 295 CG LEU A 253 -0.904 -2.751 -2.936 1.00 15.00 C ATOM 296 CD1 LEU A 253 -0.979 -4.232 -3.214 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.121 -2.475 -1.461 1.00 15.00 C ATOM 0 H LEU A 253 1.668 -0.112 -2.155 1.00 15.00 H new ATOM 0 HA LEU A 253 1.175 -2.915 -1.475 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.358 -1.238 -3.790 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.854 -2.877 -4.163 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.686 -2.238 -3.496 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -1.955 -4.611 -2.909 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.838 -4.410 -4.280 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.199 -4.747 -2.654 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.102 -2.845 -1.162 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.350 -2.980 -0.879 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.068 -1.401 -1.280 1.00 15.00 H new ATOM 309 N HIS A 254 3.102 -3.885 -2.361 1.00 15.00 N ATOM 310 CA HIS A 254 4.333 -4.572 -2.689 1.00 15.00 C ATOM 311 C HIS A 254 3.973 -5.972 -3.094 1.00 15.00 C ATOM 312 O HIS A 254 3.743 -6.824 -2.226 1.00 15.00 O ATOM 313 CB HIS A 254 5.275 -4.624 -1.473 1.00 15.00 C ATOM 314 CG HIS A 254 6.404 -5.616 -1.589 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.604 -6.628 -0.671 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.360 -5.781 -2.535 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.620 -7.377 -1.054 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.100 -6.883 -2.181 1.00 15.00 N ATOM 0 H HIS A 254 2.437 -4.469 -1.854 1.00 15.00 H new ATOM 0 HA HIS A 254 4.847 -4.043 -3.492 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.697 -3.631 -1.316 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.688 -4.865 -0.587 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.512 -5.161 -3.406 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.995 -8.246 -0.534 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.891 -7.259 -2.704 1.00 15.00 H new ATOM 327 N THR A 255 3.861 -6.242 -4.376 1.00 15.00 N ATOM 328 CA THR A 255 3.488 -7.582 -4.715 1.00 15.00 C ATOM 329 C THR A 255 4.721 -8.445 -4.894 1.00 15.00 C ATOM 330 O THR A 255 5.310 -8.551 -5.968 1.00 15.00 O ATOM 331 CB THR A 255 2.624 -7.603 -5.989 1.00 15.00 C ATOM 332 OG1 THR A 255 3.221 -6.781 -7.000 1.00 15.00 O ATOM 333 CG2 THR A 255 1.216 -7.107 -5.692 1.00 15.00 C ATOM 0 H THR A 255 4.013 -5.595 -5.150 1.00 15.00 H new ATOM 0 HA THR A 255 2.895 -7.990 -3.896 1.00 15.00 H new ATOM 0 HB THR A 255 2.565 -8.631 -6.346 1.00 15.00 H new ATOM 0 HG1 THR A 255 4.157 -7.045 -7.126 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.622 -7.130 -6.606 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.754 -7.750 -4.943 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.262 -6.085 -5.315 1.00 15.00 H new ATOM 341 N GLN A 256 5.131 -8.998 -3.770 1.00 15.00 N ATOM 342 CA GLN A 256 5.853 -10.246 -3.686 1.00 15.00 C ATOM 343 C GLN A 256 4.885 -11.342 -3.276 1.00 15.00 C ATOM 344 O GLN A 256 4.879 -12.449 -3.810 1.00 15.00 O ATOM 345 CB GLN A 256 6.978 -10.128 -2.660 1.00 15.00 C ATOM 346 CG GLN A 256 7.577 -11.453 -2.237 1.00 15.00 C ATOM 347 CD GLN A 256 8.629 -11.293 -1.164 1.00 15.00 C ATOM 348 OE1 GLN A 256 8.320 -11.335 0.027 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.871 -11.101 -1.574 1.00 15.00 N ATOM 0 H GLN A 256 4.963 -8.573 -2.858 1.00 15.00 H new ATOM 0 HA GLN A 256 6.292 -10.487 -4.654 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.768 -9.501 -3.074 1.00 15.00 H new ATOM 0 HB3 GLN A 256 6.596 -9.617 -1.776 1.00 15.00 H new ATOM 0 HG2 GLN A 256 6.785 -12.106 -1.871 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.019 -11.943 -3.105 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.080 -11.074 -2.572 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.620 -10.980 -0.892 1.00 15.00 H new ATOM 358 N THR A 257 4.077 -10.987 -2.280 1.00 15.00 N ATOM 359 CA THR A 257 3.271 -11.927 -1.540 1.00 15.00 C ATOM 360 C THR A 257 1.990 -11.262 -1.153 1.00 15.00 C ATOM 361 O THR A 257 1.285 -11.620 -0.210 1.00 15.00 O ATOM 362 CB THR A 257 4.075 -12.337 -0.327 1.00 15.00 C ATOM 363 OG1 THR A 257 3.571 -13.535 0.282 1.00 15.00 O ATOM 364 CG2 THR A 257 4.177 -11.208 0.692 1.00 15.00 C ATOM 0 H THR A 257 3.969 -10.022 -1.968 1.00 15.00 H new ATOM 0 HA THR A 257 3.021 -12.811 -2.127 1.00 15.00 H new ATOM 0 HB THR A 257 5.081 -12.555 -0.685 1.00 15.00 H new ATOM 0 HG1 THR A 257 2.604 -13.452 0.415 1.00 15.00 H new ATOM 0 HG21 THR A 257 4.762 -11.543 1.548 1.00 15.00 H new ATOM 0 HG22 THR A 257 4.664 -10.347 0.234 1.00 15.00 H new ATOM 0 HG23 THR A 257 3.178 -10.926 1.023 1.00 15.00 H new ATOM 372 N GLY A 258 1.710 -10.324 -1.977 1.00 15.00 N ATOM 373 CA GLY A 258 0.589 -9.438 -1.794 1.00 15.00 C ATOM 374 C GLY A 258 0.649 -8.651 -0.496 1.00 15.00 C ATOM 375 O GLY A 258 -0.057 -8.971 0.460 1.00 15.00 O ATOM 0 H GLY A 258 2.254 -10.134 -2.818 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.545 -8.741 -2.631 1.00 15.00 H new ATOM 0 HA3 GLY A 258 -0.332 -10.020 -1.815 1.00 15.00 H new ATOM 379 N VAL A 259 1.495 -7.625 -0.440 1.00 15.00 N ATOM 380 CA VAL A 259 1.345 -6.641 0.641 1.00 15.00 C ATOM 381 C VAL A 259 0.412 -5.535 0.232 1.00 15.00 C ATOM 382 O VAL A 259 0.681 -4.776 -0.695 1.00 15.00 O ATOM 383 CB VAL A 259 2.659 -5.980 1.146 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.340 -4.860 2.125 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.494 -7.015 1.844 1.00 15.00 C ATOM 0 H VAL A 259 2.258 -7.452 -1.094 1.00 15.00 H new ATOM 0 HA VAL A 259 0.951 -7.234 1.466 1.00 15.00 H new ATOM 0 HB VAL A 259 3.201 -5.569 0.294 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.268 -4.405 2.472 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.729 -4.106 1.629 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.794 -5.266 2.977 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.417 -6.558 2.201 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.939 -7.420 2.690 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.733 -7.819 1.148 1.00 15.00 H new ATOM 395 N SER A 260 -0.689 -5.483 0.954 1.00 15.00 N ATOM 396 CA SER A 260 -1.666 -4.413 0.836 1.00 15.00 C ATOM 397 C SER A 260 -1.961 -3.871 2.226 1.00 15.00 C ATOM 398 O SER A 260 -2.614 -4.530 3.040 1.00 15.00 O ATOM 399 CB SER A 260 -2.951 -4.882 0.124 1.00 15.00 C ATOM 400 OG SER A 260 -3.382 -6.145 0.614 1.00 15.00 O ATOM 0 H SER A 260 -0.936 -6.189 1.648 1.00 15.00 H new ATOM 0 HA SER A 260 -1.253 -3.618 0.216 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.740 -4.144 0.270 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.771 -4.948 -0.949 1.00 15.00 H new ATOM 0 HG SER A 260 -3.315 -6.157 1.592 1.00 15.00 H new ATOM 406 N THR A 261 -1.443 -2.689 2.513 1.00 15.00 N ATOM 407 CA THR A 261 -1.432 -2.187 3.882 1.00 15.00 C ATOM 408 C THR A 261 -1.685 -0.686 3.968 1.00 15.00 C ATOM 409 O THR A 261 -1.365 0.060 3.042 1.00 15.00 O ATOM 410 CB THR A 261 -0.092 -2.505 4.575 1.00 15.00 C ATOM 411 OG1 THR A 261 1.002 -2.199 3.701 1.00 15.00 O ATOM 412 CG2 THR A 261 -0.015 -3.966 4.995 1.00 15.00 C ATOM 0 H THR A 261 -1.027 -2.061 1.825 1.00 15.00 H new ATOM 0 HA THR A 261 -2.250 -2.697 4.391 1.00 15.00 H new ATOM 0 HB THR A 261 -0.029 -1.887 5.471 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.848 -2.403 4.152 1.00 15.00 H new ATOM 0 HG21 THR A 261 0.943 -4.155 5.480 1.00 15.00 H new ATOM 0 HG22 THR A 261 -0.824 -4.188 5.691 1.00 15.00 H new ATOM 0 HG23 THR A 261 -0.108 -4.603 4.115 1.00 15.00 H new ATOM 420 N TRP A 262 -2.289 -0.267 5.078 1.00 15.00 N ATOM 421 CA TRP A 262 -2.442 1.147 5.394 1.00 15.00 C ATOM 422 C TRP A 262 -1.130 1.705 5.924 1.00 15.00 C ATOM 423 O TRP A 262 -0.784 2.862 5.690 1.00 15.00 O ATOM 424 CB TRP A 262 -3.501 1.369 6.477 1.00 15.00 C ATOM 425 CG TRP A 262 -4.917 1.109 6.074 1.00 15.00 C ATOM 426 CD1 TRP A 262 -5.789 0.243 6.672 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.640 1.731 5.010 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.009 0.304 6.060 1.00 15.00 N ATOM 429 CE2 TRP A 262 -6.942 1.205 5.039 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.325 2.685 4.035 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -7.915 1.599 4.144 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.310 3.062 3.143 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.590 2.516 3.215 1.00 15.00 C ATOM 0 H TRP A 262 -2.683 -0.895 5.778 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.744 1.649 4.475 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.263 0.729 7.326 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.427 2.400 6.824 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.548 -0.397 7.508 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -7.834 -0.235 6.323 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.336 3.116 3.982 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -8.911 1.183 4.188 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.085 3.791 2.378 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.340 2.837 2.507 1.00 15.00 H new ATOM 444 N HIS A 263 -0.429 0.875 6.688 1.00 15.00 N ATOM 445 CA HIS A 263 0.766 1.310 7.391 1.00 15.00 C ATOM 446 C HIS A 263 1.966 1.344 6.460 1.00 15.00 C ATOM 447 O HIS A 263 2.133 0.463 5.617 1.00 15.00 O ATOM 448 CB HIS A 263 1.054 0.386 8.593 1.00 15.00 C ATOM 449 CG HIS A 263 1.872 -0.841 8.279 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.223 -0.925 8.543 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.526 -2.038 7.742 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.667 -2.114 8.183 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.658 -2.810 7.697 1.00 15.00 N ATOM 0 H HIS A 263 -0.671 -0.105 6.835 1.00 15.00 H new ATOM 0 HA HIS A 263 0.588 2.321 7.758 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.573 0.963 9.358 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.104 0.069 9.023 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.791 -0.183 8.953 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.540 -2.329 7.411 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.686 -2.460 8.272 1.00 15.00 H new ATOM 462 N ASP A 264 2.800 2.356 6.632 1.00 15.00 N ATOM 463 CA ASP A 264 4.089 2.397 5.958 1.00 15.00 C ATOM 464 C ASP A 264 4.888 1.172 6.391 1.00 15.00 C ATOM 465 O ASP A 264 5.038 0.917 7.577 1.00 15.00 O ATOM 466 CB ASP A 264 4.832 3.691 6.326 1.00 15.00 C ATOM 467 CG ASP A 264 6.108 3.906 5.528 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.860 2.938 5.320 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.367 5.059 5.118 1.00 15.00 O1- ATOM 0 H ASP A 264 2.609 3.159 7.231 1.00 15.00 H new ATOM 0 HA ASP A 264 3.956 2.385 4.876 1.00 15.00 H new ATOM 0 HB2 ASP A 264 4.167 4.540 6.168 1.00 15.00 H new ATOM 0 HB3 ASP A 264 5.076 3.671 7.388 1.00 15.00 H new ATOM 474 N PRO A 265 5.372 0.364 5.455 1.00 15.00 N ATOM 475 CA PRO A 265 6.108 -0.853 5.783 1.00 15.00 C ATOM 476 C PRO A 265 7.480 -0.574 6.364 1.00 15.00 C ATOM 477 O PRO A 265 8.132 -1.465 6.902 1.00 15.00 O ATOM 478 CB PRO A 265 6.199 -1.603 4.457 1.00 15.00 C ATOM 479 CG PRO A 265 5.271 -0.885 3.532 1.00 15.00 C ATOM 480 CD PRO A 265 5.229 0.529 4.008 1.00 15.00 C ATOM 0 HA PRO A 265 5.604 -1.429 6.560 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.219 -1.599 4.072 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.907 -2.647 4.575 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.626 -0.940 2.503 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.277 -1.333 3.551 1.00 15.00 H new ATOM 0 HD2 PRO A 265 6.035 1.127 3.583 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.293 1.022 3.743 1.00 15.00 H new ATOM 488 N ARG A 266 7.934 0.654 6.214 1.00 15.00 N ATOM 489 CA ARG A 266 9.168 1.089 6.836 1.00 15.00 C ATOM 490 C ARG A 266 8.928 1.300 8.321 1.00 15.00 C ATOM 491 O ARG A 266 9.855 1.519 9.101 1.00 15.00 O ATOM 492 CB ARG A 266 9.619 2.389 6.204 1.00 15.00 C ATOM 493 CG ARG A 266 11.068 2.741 6.490 1.00 15.00 C ATOM 494 CD ARG A 266 12.034 1.909 5.672 1.00 15.00 C ATOM 495 NE ARG A 266 13.414 2.069 6.127 1.00 15.00 N ATOM 496 CZ ARG A 266 14.453 1.426 5.598 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.283 0.644 4.540 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.662 1.574 6.122 1.00 15.00 N ATOM 0 H ARG A 266 7.463 1.372 5.663 1.00 15.00 H new ATOM 0 HA ARG A 266 9.940 0.333 6.694 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.477 2.326 5.125 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.981 3.197 6.563 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.232 3.797 6.277 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.273 2.594 7.550 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.751 0.858 5.735 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.962 2.196 4.623 1.00 15.00 H new ATOM 0 HE ARG A 266 13.592 2.713 6.898 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.355 0.535 4.130 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.080 0.152 4.136 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.796 2.181 6.931 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.458 1.081 5.716 1.00 15.00 H new ATOM 574 N ASP B 211 -3.261 -4.700 -7.620 1.00 15.00 N ATOM 575 CA ASP B 211 -4.175 -5.816 -7.847 1.00 15.00 C ATOM 576 C ASP B 211 -5.227 -6.014 -6.718 1.00 15.00 C ATOM 577 O ASP B 211 -6.192 -6.756 -6.929 1.00 15.00 O ATOM 578 CB ASP B 211 -3.397 -7.120 -8.080 1.00 15.00 C ATOM 579 CG ASP B 211 -2.457 -7.503 -6.946 1.00 15.00 C ATOM 580 OD1 ASP B 211 -1.873 -8.605 -7.013 1.00 15.00 O ATOM 581 OD2 ASP B 211 -2.280 -6.708 -6.001 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.736 -5.555 -8.744 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -4.109 -7.931 -8.235 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -2.818 -7.024 -8.999 1.00 15.00 H new ATOM 586 N PRO B 212 -5.088 -5.401 -5.507 1.00 15.00 N ATOM 587 CA PRO B 212 -5.994 -5.629 -4.395 1.00 15.00 C ATOM 588 C PRO B 212 -7.074 -4.552 -4.309 1.00 15.00 C ATOM 589 O PRO B 212 -6.921 -3.452 -4.842 1.00 15.00 O ATOM 590 CB PRO B 212 -5.046 -5.524 -3.204 1.00 15.00 C ATOM 591 CG PRO B 212 -4.078 -4.516 -3.583 1.00 15.00 C ATOM 592 CD PRO B 212 -4.084 -4.411 -5.088 1.00 15.00 C ATOM 0 HA PRO B 212 -6.538 -6.571 -4.467 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.580 -5.237 -2.298 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.562 -6.479 -3.000 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.330 -3.556 -3.132 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.085 -4.786 -3.223 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.351 -3.407 -5.417 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.103 -4.634 -5.508 1.00 15.00 H new ATOM 600 N GLY B 213 -8.152 -4.853 -3.615 1.00 15.00 N ATOM 601 CA GLY B 213 -9.185 -3.865 -3.429 1.00 15.00 C ATOM 602 C GLY B 213 -8.916 -3.047 -2.187 1.00 15.00 C ATOM 603 O GLY B 213 -8.163 -3.477 -1.308 1.00 15.00 O ATOM 0 H GLY B 213 -8.331 -5.758 -3.179 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.232 -3.211 -4.300 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.155 -4.355 -3.346 1.00 15.00 H new ATOM 621 N PRO B 215 -9.401 -0.954 1.346 1.00 15.00 N ATOM 622 CA PRO B 215 -10.010 -1.256 2.642 1.00 15.00 C ATOM 623 C PRO B 215 -10.808 -0.085 3.219 1.00 15.00 C ATOM 624 O PRO B 215 -10.512 1.082 2.968 1.00 15.00 O ATOM 625 CB PRO B 215 -8.771 -1.528 3.532 1.00 15.00 C ATOM 626 CG PRO B 215 -7.589 -1.457 2.614 1.00 15.00 C ATOM 627 CD PRO B 215 -8.014 -0.541 1.512 1.00 15.00 C ATOM 0 HA PRO B 215 -10.725 -2.076 2.574 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -8.692 -0.789 4.330 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -8.838 -2.506 4.009 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.710 -1.072 3.131 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.327 -2.443 2.230 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.924 0.510 1.788 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.427 -0.683 0.605 1.00 15.00 H new ATOM 635 N PHE B 216 -11.821 -0.414 4.007 1.00 15.00 N ATOM 636 CA PHE B 216 -12.685 0.587 4.613 1.00 15.00 C ATOM 637 C PHE B 216 -12.532 0.559 6.131 1.00 15.00 C ATOM 638 O PHE B 216 -13.470 0.229 6.860 1.00 15.00 O ATOM 639 CB PHE B 216 -14.150 0.338 4.230 1.00 15.00 C ATOM 640 CG PHE B 216 -14.397 0.289 2.747 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.313 -0.911 2.059 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.718 1.439 2.047 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.543 -0.962 0.698 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.948 1.393 0.685 1.00 15.00 C ATOM 645 CZ PHE B 216 -14.861 0.192 0.009 1.00 15.00 C ATOM 0 H PHE B 216 -12.066 -1.376 4.243 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.391 1.569 4.242 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.475 -0.603 4.673 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.767 1.125 4.664 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.065 -1.816 2.593 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.789 2.381 2.570 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.474 -1.903 0.173 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.196 2.297 0.149 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.041 0.155 -1.055 1.00 15.00 H new