USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 224 HIS : no HD1:sc= -0.376 X(o=-0.42,f=-0.45) USER MOD Set 1.2: A 250 GLN : amide:sc= -0.0478 X(o=-0.42,f=-0.39) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 251 ASN : amide:sc= 0.19 K(o=0.19,f=-9!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -17.195 -2.059 9.210 1.00 0.00 N ATOM 2 CA GLY A 220 -16.355 -3.199 8.837 1.00 0.00 C ATOM 3 C GLY A 220 -15.800 -3.032 7.433 1.00 0.00 C ATOM 4 O GLY A 220 -15.926 -1.967 6.829 1.00 0.00 O ATOM 0 HA2 GLY A 220 -15.534 -3.297 9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -16.938 -4.118 8.894 1.00 0.00 H new ATOM 8 N LYS A 221 -15.196 -4.115 6.938 1.00 0.00 N ATOM 9 CA LYS A 221 -14.425 -4.264 5.705 1.00 0.00 C ATOM 10 C LYS A 221 -14.599 -3.164 4.631 1.00 0.00 C ATOM 11 O LYS A 221 -15.691 -3.028 4.073 1.00 0.00 O ATOM 12 CB LYS A 221 -14.634 -5.666 5.137 1.00 0.00 C ATOM 13 CG LYS A 221 -16.055 -5.992 4.674 1.00 0.00 C ATOM 14 CD LYS A 221 -16.317 -7.496 4.552 1.00 0.00 C ATOM 15 CE LYS A 221 -16.472 -8.175 5.912 1.00 0.00 C ATOM 16 NZ LYS A 221 -17.048 -9.525 5.773 1.00 0.00 N ATOM 0 H LYS A 221 -15.241 -4.999 7.445 1.00 0.00 H new ATOM 0 HA LYS A 221 -13.386 -4.123 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -13.957 -5.800 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -14.344 -6.392 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -16.768 -5.561 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -16.234 -5.519 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -17.220 -7.658 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -15.495 -7.962 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -15.500 -8.240 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -17.112 -7.568 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -17.141 -9.961 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -17.985 -9.458 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -16.424 -10.109 5.181 1.00 0.00 H new ATOM 30 N PRO A 222 -13.530 -2.410 4.317 1.00 0.00 N ATOM 31 CA PRO A 222 -13.542 -1.330 3.344 1.00 0.00 C ATOM 32 C PRO A 222 -13.510 -1.825 1.908 1.00 0.00 C ATOM 33 O PRO A 222 -13.347 -3.013 1.621 1.00 0.00 O ATOM 34 CB PRO A 222 -12.280 -0.509 3.611 1.00 0.00 C ATOM 35 CG PRO A 222 -11.313 -1.512 4.235 1.00 0.00 C ATOM 36 CD PRO A 222 -12.189 -2.601 4.832 1.00 0.00 C ATOM 0 HA PRO A 222 -14.463 -0.757 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -11.877 -0.085 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -12.481 0.324 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -10.634 -1.921 3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -10.697 -1.040 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -11.812 -3.588 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.184 -2.544 5.920 1.00 0.00 H new ATOM 44 N GLU A 223 -13.594 -0.853 1.011 1.00 0.00 N ATOM 45 CA GLU A 223 -13.612 -0.983 -0.431 1.00 0.00 C ATOM 46 C GLU A 223 -12.350 -1.668 -0.970 1.00 0.00 C ATOM 47 O GLU A 223 -12.452 -2.408 -1.941 1.00 0.00 O ATOM 48 CB GLU A 223 -13.843 0.418 -1.028 1.00 0.00 C ATOM 49 CG GLU A 223 -12.818 1.467 -0.547 1.00 0.00 C ATOM 50 CD GLU A 223 -13.206 2.316 0.661 1.00 0.00 C ATOM 51 OE1 GLU A 223 -14.051 1.883 1.466 1.00 0.00 O ATOM 52 OE2 GLU A 223 -12.543 3.364 0.875 1.00 0.00 O ATOM 0 H GLU A 223 -13.656 0.123 1.301 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.426 -1.640 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -13.802 0.353 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -14.846 0.755 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -11.889 0.948 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -12.606 2.139 -1.379 1.00 0.00 H new ATOM 59 N HIS A 224 -11.185 -1.477 -0.340 1.00 0.00 N ATOM 60 CA HIS A 224 -9.898 -2.042 -0.737 1.00 0.00 C ATOM 61 C HIS A 224 -9.199 -2.424 0.553 1.00 0.00 C ATOM 62 O HIS A 224 -9.177 -1.609 1.483 1.00 0.00 O ATOM 63 CB HIS A 224 -9.028 -1.031 -1.508 1.00 0.00 C ATOM 64 CG HIS A 224 -9.797 -0.190 -2.489 1.00 0.00 C ATOM 65 ND1 HIS A 224 -10.090 1.143 -2.339 1.00 0.00 N ATOM 66 CD2 HIS A 224 -10.441 -0.650 -3.605 1.00 0.00 C ATOM 67 CE1 HIS A 224 -10.914 1.459 -3.349 1.00 0.00 C ATOM 68 NE2 HIS A 224 -11.152 0.416 -4.162 1.00 0.00 N ATOM 0 H HIS A 224 -11.115 -0.898 0.497 1.00 0.00 H new ATOM 0 HA HIS A 224 -10.053 -2.890 -1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -8.531 -0.375 -0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -8.247 -1.572 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -10.406 -1.659 -3.988 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -11.339 2.442 -3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -11.728 0.405 -5.004 1.00 0.00 H new ATOM 76 N ILE A 225 -8.668 -3.638 0.632 1.00 0.00 N ATOM 77 CA ILE A 225 -7.920 -4.106 1.789 1.00 0.00 C ATOM 78 C ILE A 225 -6.456 -3.713 1.547 1.00 0.00 C ATOM 79 O ILE A 225 -6.017 -3.685 0.398 1.00 0.00 O ATOM 80 CB ILE A 225 -8.204 -5.606 1.981 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.631 -5.660 2.567 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.172 -6.346 2.856 1.00 0.00 C ATOM 83 CD1 ILE A 225 -9.991 -7.022 3.120 1.00 0.00 C ATOM 0 H ILE A 225 -8.746 -4.331 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 225 -8.212 -3.652 2.736 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.122 -6.137 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -9.721 -4.917 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.347 -5.388 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.451 -7.397 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.185 -6.267 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.150 -5.898 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.006 -6.997 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -9.931 -7.765 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.296 -7.287 3.917 1.00 0.00 H new ATOM 95 N PRO A 226 -5.695 -3.338 2.582 1.00 0.00 N ATOM 96 CA PRO A 226 -4.297 -2.997 2.418 1.00 0.00 C ATOM 97 C PRO A 226 -3.418 -4.242 2.484 1.00 0.00 C ATOM 98 O PRO A 226 -3.832 -5.301 2.961 1.00 0.00 O ATOM 99 CB PRO A 226 -3.995 -2.040 3.552 1.00 0.00 C ATOM 100 CG PRO A 226 -4.928 -2.516 4.676 1.00 0.00 C ATOM 101 CD PRO A 226 -6.072 -3.262 3.981 1.00 0.00 C ATOM 0 HA PRO A 226 -4.094 -2.547 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.948 -2.089 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -4.199 -1.007 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -4.401 -3.169 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -5.305 -1.673 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -6.206 -4.257 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -7.017 -2.733 4.104 1.00 0.00 H new ATOM 109 N ASP A 227 -2.168 -4.104 2.068 1.00 0.00 N ATOM 110 CA ASP A 227 -1.269 -5.241 1.890 1.00 0.00 C ATOM 111 C ASP A 227 -0.319 -5.366 3.090 1.00 0.00 C ATOM 112 O ASP A 227 0.524 -4.484 3.286 1.00 0.00 O ATOM 113 CB ASP A 227 -0.509 -5.108 0.569 1.00 0.00 C ATOM 114 CG ASP A 227 0.136 -6.436 0.188 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.577 -7.207 1.076 1.00 0.00 O ATOM 116 OD2 ASP A 227 0.116 -6.724 -1.026 1.00 0.00 O ATOM 0 H ASP A 227 -1.746 -3.203 1.844 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.854 -6.159 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.191 -4.789 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.257 -4.338 0.659 1.00 0.00 H new ATOM 121 N PRO A 228 -0.455 -6.392 3.950 1.00 0.00 N ATOM 122 CA PRO A 228 0.413 -6.602 5.095 1.00 0.00 C ATOM 123 C PRO A 228 1.716 -7.337 4.733 1.00 0.00 C ATOM 124 O PRO A 228 2.683 -7.264 5.502 1.00 0.00 O ATOM 125 CB PRO A 228 -0.423 -7.455 6.048 1.00 0.00 C ATOM 126 CG PRO A 228 -1.207 -8.353 5.095 1.00 0.00 C ATOM 127 CD PRO A 228 -1.455 -7.441 3.900 1.00 0.00 C ATOM 0 HA PRO A 228 0.731 -5.651 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.202 -8.034 6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -1.083 -6.845 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.639 -9.240 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -2.140 -8.699 5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.381 -8.000 2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.459 -7.018 3.940 1.00 0.00 H new ATOM 135 N ASP A 229 1.738 -8.067 3.614 1.00 0.00 N ATOM 136 CA ASP A 229 2.884 -8.836 3.135 1.00 0.00 C ATOM 137 C ASP A 229 3.919 -7.859 2.597 1.00 0.00 C ATOM 138 O ASP A 229 5.062 -7.867 3.055 1.00 0.00 O ATOM 139 CB ASP A 229 2.474 -9.852 2.051 1.00 0.00 C ATOM 140 CG ASP A 229 3.609 -10.805 1.651 1.00 0.00 C ATOM 141 OD1 ASP A 229 4.769 -10.390 1.438 1.00 0.00 O ATOM 142 OD2 ASP A 229 3.350 -12.028 1.558 1.00 0.00 O ATOM 0 H ASP A 229 0.929 -8.139 2.997 1.00 0.00 H new ATOM 0 HA ASP A 229 3.303 -9.412 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 229 1.628 -10.437 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 229 2.134 -9.312 1.167 1.00 0.00 H new ATOM 147 N ALA A 230 3.495 -6.972 1.690 1.00 0.00 N ATOM 148 CA ALA A 230 4.322 -5.947 1.071 1.00 0.00 C ATOM 149 C ALA A 230 5.055 -5.126 2.141 1.00 0.00 C ATOM 150 O ALA A 230 4.430 -4.342 2.859 1.00 0.00 O ATOM 151 CB ALA A 230 3.436 -5.058 0.190 1.00 0.00 C ATOM 0 H ALA A 230 2.530 -6.953 1.359 1.00 0.00 H new ATOM 0 HA ALA A 230 5.084 -6.414 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 230 4.047 -4.286 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 230 2.964 -5.666 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 230 2.667 -4.589 0.804 1.00 0.00 H new ATOM 157 N LYS A 231 6.376 -5.293 2.252 1.00 0.00 N ATOM 158 CA LYS A 231 7.230 -4.414 3.048 1.00 0.00 C ATOM 159 C LYS A 231 7.659 -3.224 2.196 1.00 0.00 C ATOM 160 O LYS A 231 7.661 -3.318 0.966 1.00 0.00 O ATOM 161 CB LYS A 231 8.503 -5.140 3.516 1.00 0.00 C ATOM 162 CG LYS A 231 8.286 -6.427 4.317 1.00 0.00 C ATOM 163 CD LYS A 231 8.588 -7.681 3.489 1.00 0.00 C ATOM 164 CE LYS A 231 8.897 -8.823 4.451 1.00 0.00 C ATOM 165 NZ LYS A 231 9.228 -10.072 3.734 1.00 0.00 N ATOM 0 H LYS A 231 6.883 -6.047 1.789 1.00 0.00 H new ATOM 0 HA LYS A 231 6.658 -4.094 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.105 -5.379 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.087 -4.451 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.924 -6.415 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.255 -6.465 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 231 7.736 -7.935 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 231 9.434 -7.504 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.731 -8.541 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.038 -8.994 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 9.432 -10.824 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 8.423 -10.355 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.063 -9.917 3.134 1.00 0.00 H new ATOM 179 N LYS A 232 8.103 -2.147 2.838 1.00 0.00 N ATOM 180 CA LYS A 232 8.825 -1.057 2.183 1.00 0.00 C ATOM 181 C LYS A 232 10.027 -1.546 1.349 1.00 0.00 C ATOM 182 O LYS A 232 10.483 -2.686 1.532 1.00 0.00 O ATOM 183 CB LYS A 232 9.210 0.003 3.232 1.00 0.00 C ATOM 184 CG LYS A 232 10.387 -0.399 4.138 1.00 0.00 C ATOM 185 CD LYS A 232 10.617 0.608 5.279 1.00 0.00 C ATOM 186 CE LYS A 232 12.094 0.953 5.533 1.00 0.00 C ATOM 187 NZ LYS A 232 12.958 -0.218 5.759 1.00 0.00 N ATOM 0 H LYS A 232 7.971 -2.004 3.839 1.00 0.00 H new ATOM 0 HA LYS A 232 8.161 -0.593 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 232 9.463 0.930 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 232 8.341 0.211 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 232 10.197 -1.386 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 232 11.294 -0.478 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 232 10.076 1.526 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 232 10.188 0.204 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 232 12.476 1.513 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 232 12.158 1.610 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 13.935 0.098 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 12.620 -0.743 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 12.929 -0.837 4.924 1.00 0.00 H new ATOM 201 N PRO A 233 10.553 -0.715 0.428 1.00 0.00 N ATOM 202 CA PRO A 233 11.772 -1.015 -0.316 1.00 0.00 C ATOM 203 C PRO A 233 13.014 -1.046 0.578 1.00 0.00 C ATOM 204 O PRO A 233 12.996 -0.746 1.771 1.00 0.00 O ATOM 205 CB PRO A 233 11.908 0.080 -1.389 1.00 0.00 C ATOM 206 CG PRO A 233 10.579 0.828 -1.377 1.00 0.00 C ATOM 207 CD PRO A 233 10.019 0.577 0.018 1.00 0.00 C ATOM 0 HA PRO A 233 11.701 -2.010 -0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.738 0.750 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 233 12.106 -0.353 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 233 10.720 1.893 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 233 9.906 0.455 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.322 1.363 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 233 8.929 0.565 0.007 1.00 0.00 H new ATOM 215 N GLU A 234 14.140 -1.383 -0.031 1.00 0.00 N ATOM 216 CA GLU A 234 15.485 -1.159 0.482 1.00 0.00 C ATOM 217 C GLU A 234 16.075 0.091 -0.172 1.00 0.00 C ATOM 218 O GLU A 234 16.825 0.838 0.451 1.00 0.00 O ATOM 219 CB GLU A 234 16.310 -2.415 0.159 1.00 0.00 C ATOM 220 CG GLU A 234 17.054 -2.882 1.406 1.00 0.00 C ATOM 221 CD GLU A 234 17.818 -4.203 1.267 1.00 0.00 C ATOM 222 OE1 GLU A 234 17.786 -4.864 0.199 1.00 0.00 O ATOM 223 OE2 GLU A 234 18.438 -4.618 2.280 1.00 0.00 O ATOM 0 H GLU A 234 14.142 -1.843 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 234 15.486 -0.992 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.655 -3.208 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.020 -2.199 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 234 17.760 -2.104 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 234 16.335 -2.983 2.219 1.00 0.00 H new ATOM 230 N ASP A 235 15.644 0.346 -1.409 1.00 0.00 N ATOM 231 CA ASP A 235 16.066 1.434 -2.284 1.00 0.00 C ATOM 232 C ASP A 235 15.239 2.709 -2.042 1.00 0.00 C ATOM 233 O ASP A 235 15.114 3.558 -2.922 1.00 0.00 O ATOM 234 CB ASP A 235 15.921 0.921 -3.727 1.00 0.00 C ATOM 235 CG ASP A 235 16.954 1.480 -4.702 1.00 0.00 C ATOM 236 OD1 ASP A 235 18.151 1.543 -4.330 1.00 0.00 O ATOM 237 OD2 ASP A 235 16.597 1.571 -5.899 1.00 0.00 O ATOM 0 H ASP A 235 14.942 -0.245 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 235 17.099 1.715 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 235 15.995 -0.166 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 235 14.924 1.171 -4.090 1.00 0.00 H new ATOM 242 N TRP A 236 14.555 2.794 -0.895 1.00 0.00 N ATOM 243 CA TRP A 236 13.716 3.907 -0.496 1.00 0.00 C ATOM 244 C TRP A 236 14.575 5.040 0.051 1.00 0.00 C ATOM 245 O TRP A 236 15.290 4.884 1.046 1.00 0.00 O ATOM 246 CB TRP A 236 12.726 3.468 0.587 1.00 0.00 C ATOM 247 CG TRP A 236 11.616 4.449 0.812 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.361 5.135 1.950 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.612 4.884 -0.147 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.245 5.929 1.766 1.00 0.00 N ATOM 251 CE2 TRP A 236 9.711 5.771 0.507 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.396 4.628 -1.515 1.00 0.00 C ATOM 253 CZ2 TRP A 236 8.596 6.320 -0.137 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.331 5.250 -2.195 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.413 6.060 -1.503 1.00 0.00 C ATOM 0 H TRP A 236 14.579 2.052 -0.196 1.00 0.00 H new ATOM 0 HA TRP A 236 13.166 4.251 -1.372 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.299 2.505 0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 236 13.265 3.320 1.523 1.00 0.00 H new ATOM 0 HD1 TRP A 236 11.939 5.072 2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 236 9.864 6.555 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 236 11.050 3.952 -2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 7.891 6.931 0.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 9.218 5.103 -3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 236 7.566 6.482 -2.024 1.00 0.00 H new ATOM 266 N ASP A 237 14.468 6.204 -0.570 1.00 0.00 N ATOM 267 CA ASP A 237 15.119 7.415 -0.157 1.00 0.00 C ATOM 268 C ASP A 237 14.143 8.167 0.749 1.00 0.00 C ATOM 269 O ASP A 237 13.288 8.911 0.270 1.00 0.00 O ATOM 270 CB ASP A 237 15.519 8.172 -1.429 1.00 0.00 C ATOM 271 CG ASP A 237 16.987 7.968 -1.784 1.00 0.00 C ATOM 272 OD1 ASP A 237 17.842 8.484 -1.027 1.00 0.00 O ATOM 273 OD2 ASP A 237 17.300 7.364 -2.830 1.00 0.00 O ATOM 0 H ASP A 237 13.900 6.325 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 237 16.031 7.259 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.897 7.838 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.325 9.236 -1.293 1.00 0.00 H new ATOM 278 N GLU A 238 14.203 7.920 2.063 1.00 0.00 N ATOM 279 CA GLU A 238 13.271 8.520 3.025 1.00 0.00 C ATOM 280 C GLU A 238 13.510 10.023 3.190 1.00 0.00 C ATOM 281 O GLU A 238 12.588 10.758 3.537 1.00 0.00 O ATOM 282 CB GLU A 238 13.350 7.793 4.385 1.00 0.00 C ATOM 283 CG GLU A 238 12.076 8.024 5.229 1.00 0.00 C ATOM 284 CD GLU A 238 12.314 8.473 6.675 1.00 0.00 C ATOM 285 OE1 GLU A 238 12.573 9.680 6.909 1.00 0.00 O ATOM 286 OE2 GLU A 238 12.116 7.654 7.601 1.00 0.00 O ATOM 0 H GLU A 238 14.895 7.302 2.487 1.00 0.00 H new ATOM 0 HA GLU A 238 12.264 8.398 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 238 13.489 6.725 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 238 14.221 8.146 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 238 11.462 8.774 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 238 11.499 7.099 5.245 1.00 0.00 H new ATOM 293 N GLU A 239 14.714 10.511 2.905 1.00 0.00 N ATOM 294 CA GLU A 239 15.034 11.927 2.964 1.00 0.00 C ATOM 295 C GLU A 239 14.356 12.655 1.784 1.00 0.00 C ATOM 296 O GLU A 239 13.954 13.819 1.892 1.00 0.00 O ATOM 297 CB GLU A 239 16.578 12.046 2.960 1.00 0.00 C ATOM 298 CG GLU A 239 17.205 12.693 4.198 1.00 0.00 C ATOM 299 CD GLU A 239 17.446 14.194 4.072 1.00 0.00 C ATOM 300 OE1 GLU A 239 16.615 14.919 3.489 1.00 0.00 O ATOM 301 OE2 GLU A 239 18.368 14.676 4.778 1.00 0.00 O ATOM 0 H GLU A 239 15.500 9.925 2.624 1.00 0.00 H new ATOM 0 HA GLU A 239 14.656 12.404 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 239 16.999 11.047 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 239 16.876 12.622 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 239 16.556 12.512 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 239 18.155 12.201 4.408 1.00 0.00 H new ATOM 308 N MET A 240 14.127 11.937 0.679 1.00 0.00 N ATOM 309 CA MET A 240 13.455 12.440 -0.510 1.00 0.00 C ATOM 310 C MET A 240 11.946 12.322 -0.329 1.00 0.00 C ATOM 311 O MET A 240 11.245 13.338 -0.295 1.00 0.00 O ATOM 312 CB MET A 240 13.928 11.672 -1.755 1.00 0.00 C ATOM 313 CG MET A 240 15.404 11.963 -2.067 1.00 0.00 C ATOM 314 SD MET A 240 15.656 13.414 -3.117 1.00 0.00 S ATOM 315 CE MET A 240 15.981 12.562 -4.681 1.00 0.00 C ATOM 0 H MET A 240 14.415 10.962 0.591 1.00 0.00 H new ATOM 0 HA MET A 240 13.706 13.491 -0.653 1.00 0.00 H new ATOM 0 HB2 MET A 240 13.792 10.602 -1.598 1.00 0.00 H new ATOM 0 HB3 MET A 240 13.312 11.949 -2.611 1.00 0.00 H new ATOM 0 HG2 MET A 240 15.942 12.106 -1.130 1.00 0.00 H new ATOM 0 HG3 MET A 240 15.841 11.092 -2.556 1.00 0.00 H new ATOM 0 HE1 MET A 240 16.163 13.297 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 240 16.857 11.923 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 240 15.118 11.952 -4.949 1.00 0.00 H new ATOM 325 N ASP A 241 11.446 11.085 -0.254 1.00 0.00 N ATOM 326 CA ASP A 241 10.019 10.811 -0.377 1.00 0.00 C ATOM 327 C ASP A 241 9.329 10.937 0.985 1.00 0.00 C ATOM 328 O ASP A 241 8.362 11.689 1.125 1.00 0.00 O ATOM 329 CB ASP A 241 9.759 9.422 -0.992 1.00 0.00 C ATOM 330 CG ASP A 241 8.442 9.450 -1.777 1.00 0.00 C ATOM 331 OD1 ASP A 241 7.388 9.831 -1.218 1.00 0.00 O ATOM 332 OD2 ASP A 241 8.492 9.215 -3.006 1.00 0.00 O ATOM 0 H ASP A 241 12.018 10.253 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 241 9.596 11.554 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 241 10.582 9.144 -1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 241 9.711 8.668 -0.207 1.00 0.00 H new ATOM 337 N GLY A 242 9.839 10.245 2.007 1.00 0.00 N ATOM 338 CA GLY A 242 9.302 10.295 3.362 1.00 0.00 C ATOM 339 C GLY A 242 8.673 8.970 3.765 1.00 0.00 C ATOM 340 O GLY A 242 9.267 7.905 3.554 1.00 0.00 O ATOM 0 H GLY A 242 10.646 9.628 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 242 10.100 10.547 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 242 8.557 11.088 3.429 1.00 0.00 H new ATOM 344 N GLU A 243 7.506 9.027 4.410 1.00 0.00 N ATOM 345 CA GLU A 243 6.724 7.850 4.745 1.00 0.00 C ATOM 346 C GLU A 243 6.336 7.139 3.447 1.00 0.00 C ATOM 347 O GLU A 243 5.690 7.714 2.571 1.00 0.00 O ATOM 348 CB GLU A 243 5.486 8.225 5.584 1.00 0.00 C ATOM 349 CG GLU A 243 5.645 7.621 6.981 1.00 0.00 C ATOM 350 CD GLU A 243 4.486 7.924 7.926 1.00 0.00 C ATOM 351 OE1 GLU A 243 3.309 7.800 7.518 1.00 0.00 O ATOM 352 OE2 GLU A 243 4.750 8.187 9.120 1.00 0.00 O ATOM 0 H GLU A 243 7.079 9.902 4.714 1.00 0.00 H new ATOM 0 HA GLU A 243 7.319 7.174 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.386 9.309 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 243 4.579 7.849 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 243 5.751 6.540 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 243 6.568 7.995 7.424 1.00 0.00 H new ATOM 359 N TRP A 244 6.758 5.884 3.316 1.00 0.00 N ATOM 360 CA TRP A 244 6.190 4.970 2.342 1.00 0.00 C ATOM 361 C TRP A 244 4.742 4.676 2.763 1.00 0.00 C ATOM 362 O TRP A 244 4.379 4.808 3.939 1.00 0.00 O ATOM 363 CB TRP A 244 7.056 3.700 2.305 1.00 0.00 C ATOM 364 CG TRP A 244 6.684 2.650 1.303 1.00 0.00 C ATOM 365 CD1 TRP A 244 6.833 2.745 -0.038 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.145 1.318 1.551 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.422 1.566 -0.627 1.00 0.00 N ATOM 368 CE2 TRP A 244 5.966 0.660 0.302 1.00 0.00 C ATOM 369 CE3 TRP A 244 5.845 0.576 2.712 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.476 -0.649 0.207 1.00 0.00 C ATOM 371 CZ3 TRP A 244 5.426 -0.764 2.634 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.198 -1.362 1.382 1.00 0.00 C ATOM 0 H TRP A 244 7.502 5.477 3.883 1.00 0.00 H new ATOM 0 HA TRP A 244 6.177 5.393 1.337 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.087 3.999 2.115 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.033 3.246 3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.214 3.607 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.453 1.388 -1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 244 5.939 1.046 3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.314 -1.103 -0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 5.279 -1.336 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 244 4.810 -2.368 1.325 1.00 0.00 H new ATOM 383 N GLU A 245 3.923 4.234 1.815 1.00 0.00 N ATOM 384 CA GLU A 245 2.560 3.784 2.044 1.00 0.00 C ATOM 385 C GLU A 245 2.360 2.499 1.232 1.00 0.00 C ATOM 386 O GLU A 245 2.595 2.521 0.018 1.00 0.00 O ATOM 387 CB GLU A 245 1.544 4.819 1.564 1.00 0.00 C ATOM 388 CG GLU A 245 1.447 6.107 2.389 1.00 0.00 C ATOM 389 CD GLU A 245 0.507 7.124 1.732 1.00 0.00 C ATOM 390 OE1 GLU A 245 -0.373 6.747 0.924 1.00 0.00 O ATOM 391 OE2 GLU A 245 0.607 8.332 2.042 1.00 0.00 O ATOM 0 H GLU A 245 4.201 4.178 0.835 1.00 0.00 H new ATOM 0 HA GLU A 245 2.408 3.625 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 245 1.789 5.088 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 245 0.560 4.350 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 245 1.088 5.873 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 245 2.439 6.545 2.500 1.00 0.00 H new ATOM 398 N PRO A 246 1.929 1.385 1.843 1.00 0.00 N ATOM 399 CA PRO A 246 1.832 0.102 1.161 1.00 0.00 C ATOM 400 C PRO A 246 0.740 0.066 0.078 1.00 0.00 C ATOM 401 O PRO A 246 -0.124 0.952 0.018 1.00 0.00 O ATOM 402 CB PRO A 246 1.582 -0.935 2.261 1.00 0.00 C ATOM 403 CG PRO A 246 0.965 -0.130 3.400 1.00 0.00 C ATOM 404 CD PRO A 246 1.545 1.273 3.235 1.00 0.00 C ATOM 0 HA PRO A 246 2.751 -0.104 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 246 0.910 -1.723 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.509 -1.418 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 246 -0.123 -0.120 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 246 1.222 -0.554 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 246 0.809 2.033 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.404 1.420 3.890 1.00 0.00 H new ATOM 412 N PRO A 247 0.760 -0.964 -0.786 1.00 0.00 N ATOM 413 CA PRO A 247 -0.291 -1.198 -1.755 1.00 0.00 C ATOM 414 C PRO A 247 -1.567 -1.743 -1.120 1.00 0.00 C ATOM 415 O PRO A 247 -1.660 -1.952 0.094 1.00 0.00 O ATOM 416 CB PRO A 247 0.276 -2.191 -2.759 1.00 0.00 C ATOM 417 CG PRO A 247 1.385 -2.931 -2.011 1.00 0.00 C ATOM 418 CD PRO A 247 1.769 -2.009 -0.854 1.00 0.00 C ATOM 0 HA PRO A 247 -0.581 -0.259 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.493 -2.881 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 247 0.668 -1.681 -3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 247 1.037 -3.898 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 247 2.238 -3.124 -2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 247 1.812 -2.564 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 247 2.758 -1.580 -1.016 1.00 0.00 H new ATOM 426 N VAL A 248 -2.542 -2.008 -1.987 1.00 0.00 N ATOM 427 CA VAL A 248 -3.823 -2.566 -1.664 1.00 0.00 C ATOM 428 C VAL A 248 -4.136 -3.767 -2.546 1.00 0.00 C ATOM 429 O VAL A 248 -3.498 -4.020 -3.575 1.00 0.00 O ATOM 430 CB VAL A 248 -4.881 -1.477 -1.833 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.757 -0.467 -0.697 1.00 0.00 C ATOM 432 CG2 VAL A 248 -4.852 -0.734 -3.179 1.00 0.00 C ATOM 0 H VAL A 248 -2.439 -1.823 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.818 -2.919 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 248 -5.838 -1.999 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.512 0.310 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.906 -0.973 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -3.765 -0.016 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -5.642 0.017 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -3.885 -0.247 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.009 -1.445 -3.990 1.00 0.00 H new ATOM 442 N ILE A 249 -5.152 -4.502 -2.122 1.00 0.00 N ATOM 443 CA ILE A 249 -5.624 -5.746 -2.676 1.00 0.00 C ATOM 444 C ILE A 249 -7.134 -5.536 -2.834 1.00 0.00 C ATOM 445 O ILE A 249 -7.802 -5.084 -1.897 1.00 0.00 O ATOM 446 CB ILE A 249 -5.161 -6.930 -1.773 1.00 0.00 C ATOM 447 CG1 ILE A 249 -5.941 -7.117 -0.452 1.00 0.00 C ATOM 448 CG2 ILE A 249 -3.679 -6.753 -1.371 1.00 0.00 C ATOM 449 CD1 ILE A 249 -7.088 -8.120 -0.569 1.00 0.00 C ATOM 0 H ILE A 249 -5.707 -4.214 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.216 -6.018 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.344 -7.805 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.253 -7.450 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -6.340 -6.154 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.371 -7.587 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.059 -6.727 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.560 -5.820 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -7.596 -8.206 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -7.796 -7.777 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -6.692 -9.093 -0.859 1.00 0.00 H new ATOM 461 N GLN A 250 -7.674 -5.782 -4.028 1.00 0.00 N ATOM 462 CA GLN A 250 -9.112 -5.812 -4.268 1.00 0.00 C ATOM 463 C GLN A 250 -9.719 -6.798 -3.272 1.00 0.00 C ATOM 464 O GLN A 250 -9.339 -7.972 -3.243 1.00 0.00 O ATOM 465 CB GLN A 250 -9.401 -6.174 -5.733 1.00 0.00 C ATOM 466 CG GLN A 250 -9.349 -4.935 -6.638 1.00 0.00 C ATOM 467 CD GLN A 250 -10.662 -4.152 -6.612 1.00 0.00 C ATOM 468 OE1 GLN A 250 -11.698 -4.622 -7.074 1.00 0.00 O ATOM 469 NE2 GLN A 250 -10.662 -2.925 -6.137 1.00 0.00 N ATOM 0 H GLN A 250 -7.117 -5.968 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.567 -4.834 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -8.674 -6.909 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -10.384 -6.639 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -8.534 -4.286 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -9.130 -5.242 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -9.805 -2.527 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -11.519 -2.371 -6.154 1.00 0.00 H new ATOM 478 N ASN A 251 -10.560 -6.271 -2.383 1.00 0.00 N ATOM 479 CA ASN A 251 -11.084 -6.941 -1.205 1.00 0.00 C ATOM 480 C ASN A 251 -11.800 -8.212 -1.666 1.00 0.00 C ATOM 481 O ASN A 251 -12.729 -8.103 -2.466 1.00 0.00 O ATOM 482 CB ASN A 251 -12.057 -6.007 -0.466 1.00 0.00 C ATOM 483 CG ASN A 251 -12.630 -6.610 0.819 1.00 0.00 C ATOM 484 OD1 ASN A 251 -12.617 -7.811 1.055 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.146 -5.800 1.716 1.00 0.00 N ATOM 0 H ASN A 251 -10.909 -5.317 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.279 -7.200 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -11.541 -5.078 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -12.879 -5.750 -1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -13.524 -6.176 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.168 -4.795 1.543 1.00 0.00 H new ATOM 492 N PRO A 252 -11.444 -9.401 -1.160 1.00 0.00 N ATOM 493 CA PRO A 252 -12.100 -10.644 -1.535 1.00 0.00 C ATOM 494 C PRO A 252 -13.555 -10.754 -1.048 1.00 0.00 C ATOM 495 O PRO A 252 -14.120 -11.833 -1.179 1.00 0.00 O ATOM 496 CB PRO A 252 -11.211 -11.745 -0.945 1.00 0.00 C ATOM 497 CG PRO A 252 -10.547 -11.088 0.256 1.00 0.00 C ATOM 498 CD PRO A 252 -10.360 -9.658 -0.225 1.00 0.00 C ATOM 0 HA PRO A 252 -12.196 -10.717 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -11.798 -12.614 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -10.472 -12.090 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -11.173 -11.140 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -9.597 -11.561 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -10.392 -8.959 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -9.391 -9.533 -0.708 1.00 0.00 H new ATOM 506 N GLU A 253 -14.153 -9.722 -0.437 1.00 0.00 N ATOM 507 CA GLU A 253 -15.567 -9.571 -0.122 1.00 0.00 C ATOM 508 C GLU A 253 -15.785 -8.137 0.406 1.00 0.00 C ATOM 509 O GLU A 253 -15.840 -7.917 1.616 1.00 0.00 O ATOM 510 CB GLU A 253 -16.012 -10.664 0.876 1.00 0.00 C ATOM 511 CG GLU A 253 -16.892 -11.709 0.189 1.00 0.00 C ATOM 512 CD GLU A 253 -16.880 -13.044 0.934 1.00 0.00 C ATOM 513 OE1 GLU A 253 -17.289 -13.072 2.116 1.00 0.00 O ATOM 514 OE2 GLU A 253 -16.429 -14.068 0.360 1.00 0.00 O ATOM 0 H GLU A 253 -13.613 -8.913 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 253 -16.188 -9.707 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -15.135 -11.148 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -16.560 -10.207 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -17.915 -11.338 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -16.545 -11.861 -0.833 1.00 0.00 H new ATOM 521 N TYR A 254 -15.825 -7.119 -0.463 1.00 0.00 N ATOM 522 CA TYR A 254 -16.163 -5.758 -0.032 1.00 0.00 C ATOM 523 C TYR A 254 -17.651 -5.691 0.329 1.00 0.00 C ATOM 524 O TYR A 254 -18.510 -5.737 -0.550 1.00 0.00 O ATOM 525 CB TYR A 254 -15.837 -4.702 -1.104 1.00 0.00 C ATOM 526 CG TYR A 254 -16.448 -3.334 -0.825 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.327 -2.730 0.444 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.178 -2.675 -1.831 1.00 0.00 C ATOM 529 CE1 TYR A 254 -16.919 -1.482 0.702 1.00 0.00 C ATOM 530 CE2 TYR A 254 -17.790 -1.437 -1.579 1.00 0.00 C ATOM 531 CZ TYR A 254 -17.665 -0.840 -0.308 1.00 0.00 C ATOM 532 OH TYR A 254 -18.284 0.345 -0.064 1.00 0.00 O ATOM 0 H TYR A 254 -15.629 -7.211 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 254 -15.551 -5.529 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -14.755 -4.597 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -16.192 -5.058 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -15.774 -3.231 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -17.269 -3.127 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -16.803 -1.016 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -18.355 -0.944 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 254 -18.751 0.643 -0.873 1.00 0.00 H new ATOM 542 N LYS A 255 -17.961 -5.509 1.621 1.00 0.00 N ATOM 543 CA LYS A 255 -19.311 -5.269 2.151 1.00 0.00 C ATOM 544 C LYS A 255 -20.345 -6.310 1.679 1.00 0.00 C ATOM 545 O LYS A 255 -21.548 -6.022 1.648 1.00 0.00 O ATOM 546 CB LYS A 255 -19.713 -3.813 1.836 1.00 0.00 C ATOM 547 CG LYS A 255 -20.272 -3.039 3.036 1.00 0.00 C ATOM 548 CD LYS A 255 -19.149 -2.502 3.936 1.00 0.00 C ATOM 549 CE LYS A 255 -19.666 -1.520 4.997 1.00 0.00 C ATOM 550 NZ LYS A 255 -20.387 -2.182 6.109 1.00 0.00 N ATOM 0 H LYS A 255 -17.251 -5.526 2.353 1.00 0.00 H new ATOM 0 HA LYS A 255 -19.295 -5.399 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -18.842 -3.283 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -20.460 -3.818 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -20.883 -2.209 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -20.925 -3.690 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -18.652 -3.337 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -18.400 -2.005 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -18.824 -0.959 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -20.331 -0.799 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -20.709 -1.465 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -21.209 -2.696 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -19.750 -2.851 6.587 1.00 0.00 H new ATOM 564 N GLY A 256 -19.874 -7.510 1.337 1.00 0.00 N ATOM 565 CA GLY A 256 -20.657 -8.707 1.060 1.00 0.00 C ATOM 566 C GLY A 256 -20.076 -9.831 1.886 1.00 0.00 C ATOM 567 O GLY A 256 -20.366 -11.014 1.617 1.00 0.00 O ATOM 0 H GLY A 256 -18.873 -7.679 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -21.705 -8.547 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -20.620 -8.952 -0.001 1.00 0.00 H new TER 571 GLY A 256