USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=4 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 Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc=-0.00359 X(o=-0.0036,f=-0.0036) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 154:sc= 0.602 (180deg=-0.788!) USER MOD Single : A 240 MET CE :methyl -175:sc= 0 (180deg=-0.026) USER MOD Single : A 250 GLN :FLIP amide:sc= -0.991 F(o=-1.7,f=-0.99) USER MOD Single : A 251 ASN : amide:sc= 0.381 K(o=0.38,f=-10!) 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 -18.813 -3.572 7.583 1.00 0.00 N ATOM 2 CA GLY A 220 -18.202 -4.904 7.559 1.00 0.00 C ATOM 3 C GLY A 220 -16.747 -4.841 7.161 1.00 0.00 C ATOM 4 O GLY A 220 -15.896 -5.128 8.003 1.00 0.00 O ATOM 0 HA2 GLY A 220 -18.291 -5.363 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -18.744 -5.541 6.860 1.00 0.00 H new ATOM 8 N LYS A 221 -16.441 -4.510 5.901 1.00 0.00 N ATOM 9 CA LYS A 221 -15.078 -4.194 5.463 1.00 0.00 C ATOM 10 C LYS A 221 -15.153 -3.030 4.451 1.00 0.00 C ATOM 11 O LYS A 221 -16.227 -2.844 3.871 1.00 0.00 O ATOM 12 CB LYS A 221 -14.370 -5.415 4.836 1.00 0.00 C ATOM 13 CG LYS A 221 -14.478 -6.759 5.535 1.00 0.00 C ATOM 14 CD LYS A 221 -13.650 -7.832 4.808 1.00 0.00 C ATOM 15 CE LYS A 221 -13.803 -9.225 5.429 1.00 0.00 C ATOM 16 NZ LYS A 221 -12.978 -9.422 6.640 1.00 0.00 N ATOM 0 H LYS A 221 -17.134 -4.454 5.155 1.00 0.00 H new ATOM 0 HA LYS A 221 -14.486 -3.907 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -14.756 -5.537 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -13.311 -5.173 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -14.133 -6.665 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -15.523 -7.068 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -13.953 -7.871 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -12.598 -7.546 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -14.851 -9.389 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -13.532 -9.977 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -13.128 -10.383 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -11.974 -9.296 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -13.251 -8.726 7.363 1.00 0.00 H new ATOM 30 N PRO A 222 -14.056 -2.284 4.224 1.00 0.00 N ATOM 31 CA PRO A 222 -13.980 -1.187 3.261 1.00 0.00 C ATOM 32 C PRO A 222 -13.977 -1.673 1.814 1.00 0.00 C ATOM 33 O PRO A 222 -13.955 -2.876 1.557 1.00 0.00 O ATOM 34 CB PRO A 222 -12.675 -0.436 3.559 1.00 0.00 C ATOM 35 CG PRO A 222 -11.874 -1.330 4.503 1.00 0.00 C ATOM 36 CD PRO A 222 -12.755 -2.535 4.809 1.00 0.00 C ATOM 0 HA PRO A 222 -14.859 -0.551 3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -12.119 -0.242 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -12.879 0.531 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -10.937 -1.642 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -11.616 -0.796 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -12.318 -3.444 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.841 -2.683 5.885 1.00 0.00 H new ATOM 44 N GLU A 223 -13.956 -0.728 0.871 1.00 0.00 N ATOM 45 CA GLU A 223 -13.903 -1.016 -0.560 1.00 0.00 C ATOM 46 C GLU A 223 -12.620 -1.765 -0.931 1.00 0.00 C ATOM 47 O GLU A 223 -12.661 -2.698 -1.729 1.00 0.00 O ATOM 48 CB GLU A 223 -14.002 0.289 -1.363 1.00 0.00 C ATOM 49 CG GLU A 223 -15.237 1.132 -1.001 1.00 0.00 C ATOM 50 CD GLU A 223 -14.859 2.428 -0.287 1.00 0.00 C ATOM 51 OE1 GLU A 223 -14.304 2.374 0.837 1.00 0.00 O ATOM 52 OE2 GLU A 223 -15.152 3.522 -0.828 1.00 0.00 O ATOM 0 H GLU A 223 -13.976 0.269 1.084 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.750 -1.657 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -13.103 0.882 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -14.031 0.052 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -15.793 1.367 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -15.900 0.547 -0.363 1.00 0.00 H new ATOM 59 N HIS A 224 -11.483 -1.397 -0.336 1.00 0.00 N ATOM 60 CA HIS A 224 -10.177 -1.989 -0.603 1.00 0.00 C ATOM 61 C HIS A 224 -9.516 -2.309 0.732 1.00 0.00 C ATOM 62 O HIS A 224 -9.848 -1.708 1.759 1.00 0.00 O ATOM 63 CB HIS A 224 -9.294 -1.052 -1.446 1.00 0.00 C ATOM 64 CG HIS A 224 -10.051 -0.253 -2.476 1.00 0.00 C ATOM 65 ND1 HIS A 224 -10.395 1.069 -2.335 1.00 0.00 N ATOM 66 CD2 HIS A 224 -10.588 -0.706 -3.651 1.00 0.00 C ATOM 67 CE1 HIS A 224 -11.146 1.412 -3.389 1.00 0.00 C ATOM 68 NE2 HIS A 224 -11.282 0.368 -4.228 1.00 0.00 N ATOM 0 H HIS A 224 -11.448 -0.657 0.365 1.00 0.00 H new ATOM 0 HA HIS A 224 -10.304 -2.903 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -8.773 -0.364 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -8.532 -1.646 -1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -10.495 -1.702 -4.057 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -11.581 2.388 -3.544 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -11.791 0.360 -5.112 1.00 0.00 H new ATOM 76 N ILE A 225 -8.565 -3.234 0.710 1.00 0.00 N ATOM 77 CA ILE A 225 -7.879 -3.783 1.876 1.00 0.00 C ATOM 78 C ILE A 225 -6.391 -3.471 1.679 1.00 0.00 C ATOM 79 O ILE A 225 -5.966 -3.366 0.530 1.00 0.00 O ATOM 80 CB ILE A 225 -8.256 -5.274 1.972 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.703 -5.315 2.508 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.301 -6.133 2.813 1.00 0.00 C ATOM 83 CD1 ILE A 225 -10.122 -6.674 3.038 1.00 0.00 C ATOM 0 H ILE A 225 -8.234 -3.643 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 225 -8.163 -3.352 2.836 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.172 -5.727 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -9.807 -4.577 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.385 -5.021 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.651 -7.165 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.300 -6.092 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.273 -5.753 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.150 -6.623 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -10.052 -7.413 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.465 -6.963 3.859 1.00 0.00 H new ATOM 95 N PRO A 226 -5.592 -3.250 2.733 1.00 0.00 N ATOM 96 CA PRO A 226 -4.205 -2.859 2.552 1.00 0.00 C ATOM 97 C PRO A 226 -3.310 -4.071 2.294 1.00 0.00 C ATOM 98 O PRO A 226 -3.723 -5.221 2.475 1.00 0.00 O ATOM 99 CB PRO A 226 -3.831 -2.162 3.846 1.00 0.00 C ATOM 100 CG PRO A 226 -4.647 -2.920 4.899 1.00 0.00 C ATOM 101 CD PRO A 226 -5.909 -3.363 4.150 1.00 0.00 C ATOM 0 HA PRO A 226 -4.073 -2.213 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.761 -2.226 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -4.088 -1.103 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -4.096 -3.775 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -4.891 -2.282 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -6.178 -4.387 4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -6.760 -2.734 4.411 1.00 0.00 H new ATOM 109 N ASP A 227 -2.059 -3.802 1.929 1.00 0.00 N ATOM 110 CA ASP A 227 -1.063 -4.830 1.664 1.00 0.00 C ATOM 111 C ASP A 227 -0.044 -4.891 2.816 1.00 0.00 C ATOM 112 O ASP A 227 0.724 -3.941 3.011 1.00 0.00 O ATOM 113 CB ASP A 227 -0.379 -4.588 0.314 1.00 0.00 C ATOM 114 CG ASP A 227 0.507 -5.769 -0.078 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.668 -6.724 0.711 1.00 0.00 O ATOM 116 OD2 ASP A 227 1.024 -5.766 -1.212 1.00 0.00 O ATOM 0 H ASP A 227 -1.707 -2.852 1.808 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.561 -5.798 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.134 -4.426 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.223 -3.681 0.366 1.00 0.00 H new ATOM 121 N PRO A 228 -0.048 -5.950 3.645 1.00 0.00 N ATOM 122 CA PRO A 228 0.970 -6.185 4.664 1.00 0.00 C ATOM 123 C PRO A 228 2.208 -6.902 4.113 1.00 0.00 C ATOM 124 O PRO A 228 3.248 -6.921 4.767 1.00 0.00 O ATOM 125 CB PRO A 228 0.270 -7.076 5.687 1.00 0.00 C ATOM 126 CG PRO A 228 -0.650 -7.942 4.829 1.00 0.00 C ATOM 127 CD PRO A 228 -1.069 -6.984 3.716 1.00 0.00 C ATOM 0 HA PRO A 228 1.338 -5.244 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.983 -7.680 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.292 -6.489 6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.133 -8.817 4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.508 -8.306 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.154 -7.510 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.046 -6.549 3.928 1.00 0.00 H new ATOM 135 N ASP A 229 2.089 -7.545 2.952 1.00 0.00 N ATOM 136 CA ASP A 229 3.121 -8.405 2.363 1.00 0.00 C ATOM 137 C ASP A 229 4.135 -7.606 1.538 1.00 0.00 C ATOM 138 O ASP A 229 5.294 -8.010 1.383 1.00 0.00 O ATOM 139 CB ASP A 229 2.448 -9.470 1.484 1.00 0.00 C ATOM 140 CG ASP A 229 3.411 -10.573 1.061 1.00 0.00 C ATOM 141 OD1 ASP A 229 4.211 -11.040 1.903 1.00 0.00 O ATOM 142 OD2 ASP A 229 3.335 -11.064 -0.091 1.00 0.00 O ATOM 0 H ASP A 229 1.249 -7.482 2.377 1.00 0.00 H new ATOM 0 HA ASP A 229 3.671 -8.880 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 229 1.613 -9.911 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 229 2.034 -8.994 0.595 1.00 0.00 H new ATOM 147 N ALA A 230 3.719 -6.443 1.032 1.00 0.00 N ATOM 148 CA ALA A 230 4.625 -5.439 0.508 1.00 0.00 C ATOM 149 C ALA A 230 5.524 -4.914 1.625 1.00 0.00 C ATOM 150 O ALA A 230 5.148 -4.908 2.798 1.00 0.00 O ATOM 151 CB ALA A 230 3.822 -4.286 -0.096 1.00 0.00 C ATOM 0 H ALA A 230 2.736 -6.177 0.978 1.00 0.00 H new ATOM 0 HA ALA A 230 5.247 -5.889 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 230 4.505 -3.533 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 230 3.195 -4.663 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 230 3.193 -3.839 0.673 1.00 0.00 H new ATOM 157 N LYS A 231 6.691 -4.384 1.259 1.00 0.00 N ATOM 158 CA LYS A 231 7.610 -3.740 2.191 1.00 0.00 C ATOM 159 C LYS A 231 8.175 -2.473 1.570 1.00 0.00 C ATOM 160 O LYS A 231 8.193 -2.351 0.342 1.00 0.00 O ATOM 161 CB LYS A 231 8.753 -4.708 2.533 1.00 0.00 C ATOM 162 CG LYS A 231 8.332 -5.863 3.451 1.00 0.00 C ATOM 163 CD LYS A 231 7.900 -5.352 4.828 1.00 0.00 C ATOM 164 CE LYS A 231 8.085 -6.460 5.859 1.00 0.00 C ATOM 165 NZ LYS A 231 7.596 -6.021 7.177 1.00 0.00 N ATOM 0 H LYS A 231 7.026 -4.391 0.296 1.00 0.00 H new ATOM 0 HA LYS A 231 7.073 -3.477 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.157 -5.120 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.558 -4.150 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.511 -6.414 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.161 -6.561 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 231 8.490 -4.479 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 231 6.857 -5.036 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 231 7.546 -7.353 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.139 -6.731 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 7.729 -6.786 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 8.128 -5.182 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 6.585 -5.785 7.111 1.00 0.00 H new ATOM 179 N LYS A 232 8.668 -1.573 2.430 1.00 0.00 N ATOM 180 CA LYS A 232 9.622 -0.520 2.083 1.00 0.00 C ATOM 181 C LYS A 232 10.577 -1.034 1.007 1.00 0.00 C ATOM 182 O LYS A 232 11.203 -2.068 1.256 1.00 0.00 O ATOM 183 CB LYS A 232 10.446 -0.123 3.315 1.00 0.00 C ATOM 184 CG LYS A 232 9.962 1.158 3.975 1.00 0.00 C ATOM 185 CD LYS A 232 10.824 1.441 5.198 1.00 0.00 C ATOM 186 CE LYS A 232 10.390 2.764 5.808 1.00 0.00 C ATOM 187 NZ LYS A 232 11.299 3.160 6.896 1.00 0.00 N ATOM 0 H LYS A 232 8.404 -1.560 3.415 1.00 0.00 H new ATOM 0 HA LYS A 232 9.069 0.346 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 232 10.412 -0.934 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 232 11.489 -0.001 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 232 10.021 1.989 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 232 8.916 1.060 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 232 10.720 0.637 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 232 11.876 1.482 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 232 10.376 3.537 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 232 9.373 2.677 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 11.284 4.195 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 10.990 2.717 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 12.266 2.849 6.671 1.00 0.00 H new ATOM 201 N PRO A 233 10.672 -0.393 -0.168 1.00 0.00 N ATOM 202 CA PRO A 233 11.511 -0.904 -1.230 1.00 0.00 C ATOM 203 C PRO A 233 12.959 -1.082 -0.772 1.00 0.00 C ATOM 204 O PRO A 233 13.511 -0.269 -0.026 1.00 0.00 O ATOM 205 CB PRO A 233 11.401 0.073 -2.399 1.00 0.00 C ATOM 206 CG PRO A 233 10.227 0.995 -2.072 1.00 0.00 C ATOM 207 CD PRO A 233 9.871 0.734 -0.610 1.00 0.00 C ATOM 0 HA PRO A 233 11.177 -1.896 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.322 0.643 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 233 11.231 -0.458 -3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 233 10.498 2.039 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 233 9.377 0.788 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.076 1.614 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 233 8.808 0.515 -0.506 1.00 0.00 H new ATOM 215 N GLU A 234 13.611 -2.113 -1.297 1.00 0.00 N ATOM 216 CA GLU A 234 15.024 -2.418 -1.076 1.00 0.00 C ATOM 217 C GLU A 234 15.936 -1.290 -1.595 1.00 0.00 C ATOM 218 O GLU A 234 17.107 -1.227 -1.236 1.00 0.00 O ATOM 219 CB GLU A 234 15.311 -3.759 -1.772 1.00 0.00 C ATOM 220 CG GLU A 234 16.315 -4.659 -1.042 1.00 0.00 C ATOM 221 CD GLU A 234 17.768 -4.259 -1.259 1.00 0.00 C ATOM 222 OE1 GLU A 234 18.228 -4.288 -2.424 1.00 0.00 O ATOM 223 OE2 GLU A 234 18.495 -4.021 -0.268 1.00 0.00 O ATOM 0 H GLU A 234 13.154 -2.787 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 234 15.237 -2.496 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 234 14.373 -4.302 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 234 15.686 -3.559 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.098 -4.639 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 234 16.177 -5.687 -1.376 1.00 0.00 H new ATOM 230 N ASP A 235 15.383 -0.387 -2.408 1.00 0.00 N ATOM 231 CA ASP A 235 16.037 0.755 -3.045 1.00 0.00 C ATOM 232 C ASP A 235 15.339 2.078 -2.671 1.00 0.00 C ATOM 233 O ASP A 235 15.489 3.075 -3.372 1.00 0.00 O ATOM 234 CB ASP A 235 16.032 0.513 -4.560 1.00 0.00 C ATOM 235 CG ASP A 235 17.016 1.388 -5.343 1.00 0.00 C ATOM 236 OD1 ASP A 235 18.236 1.097 -5.340 1.00 0.00 O ATOM 237 OD2 ASP A 235 16.558 2.218 -6.163 1.00 0.00 O ATOM 0 H ASP A 235 14.395 -0.440 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 235 17.065 0.847 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 235 16.266 -0.535 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 235 15.026 0.689 -4.941 1.00 0.00 H new ATOM 242 N TRP A 236 14.490 2.096 -1.631 1.00 0.00 N ATOM 243 CA TRP A 236 13.794 3.282 -1.129 1.00 0.00 C ATOM 244 C TRP A 236 14.773 4.372 -0.685 1.00 0.00 C ATOM 245 O TRP A 236 15.912 4.076 -0.318 1.00 0.00 O ATOM 246 CB TRP A 236 12.889 2.866 0.045 1.00 0.00 C ATOM 247 CG TRP A 236 11.909 3.884 0.554 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.764 4.268 1.842 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.904 4.633 -0.190 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.792 5.248 1.939 1.00 0.00 N ATOM 251 CE2 TRP A 236 10.179 5.454 0.724 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.531 4.694 -1.548 1.00 0.00 C ATOM 253 CZ2 TRP A 236 9.098 6.248 0.322 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.479 5.531 -1.971 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.750 6.290 -1.037 1.00 0.00 C ATOM 0 H TRP A 236 14.264 1.254 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 236 13.194 3.701 -1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.329 1.981 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 236 13.529 2.569 0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 236 12.325 3.868 2.674 1.00 0.00 H new ATOM 0 HE1 TRP A 236 10.561 5.750 2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 236 11.058 4.092 -2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 8.540 6.820 1.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 9.230 5.590 -3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 236 7.924 6.904 -1.365 1.00 0.00 H new ATOM 266 N ASP A 237 14.298 5.617 -0.632 1.00 0.00 N ATOM 267 CA ASP A 237 15.073 6.772 -0.203 1.00 0.00 C ATOM 268 C ASP A 237 14.304 7.459 0.915 1.00 0.00 C ATOM 269 O ASP A 237 13.567 8.421 0.683 1.00 0.00 O ATOM 270 CB ASP A 237 15.330 7.761 -1.347 1.00 0.00 C ATOM 271 CG ASP A 237 16.351 7.322 -2.374 1.00 0.00 C ATOM 272 OD1 ASP A 237 17.423 6.796 -2.002 1.00 0.00 O ATOM 273 OD2 ASP A 237 16.108 7.607 -3.570 1.00 0.00 O ATOM 0 H ASP A 237 13.340 5.851 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 237 16.050 6.432 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.386 7.951 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.657 8.708 -0.918 1.00 0.00 H new ATOM 278 N GLU A 238 14.470 6.972 2.143 1.00 0.00 N ATOM 279 CA GLU A 238 13.788 7.530 3.308 1.00 0.00 C ATOM 280 C GLU A 238 14.150 9.004 3.509 1.00 0.00 C ATOM 281 O GLU A 238 13.323 9.788 3.963 1.00 0.00 O ATOM 282 CB GLU A 238 14.155 6.730 4.565 1.00 0.00 C ATOM 283 CG GLU A 238 13.601 5.306 4.522 1.00 0.00 C ATOM 284 CD GLU A 238 13.871 4.496 5.786 1.00 0.00 C ATOM 285 OE1 GLU A 238 13.974 5.075 6.890 1.00 0.00 O ATOM 286 OE2 GLU A 238 13.811 3.248 5.700 1.00 0.00 O ATOM 0 H GLU A 238 15.079 6.182 2.358 1.00 0.00 H new ATOM 0 HA GLU A 238 12.714 7.462 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 238 15.240 6.694 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 238 13.769 7.242 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 238 12.525 5.351 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 238 14.035 4.784 3.669 1.00 0.00 H new ATOM 293 N GLU A 239 15.371 9.411 3.156 1.00 0.00 N ATOM 294 CA GLU A 239 15.809 10.790 3.342 1.00 0.00 C ATOM 295 C GLU A 239 15.245 11.714 2.245 1.00 0.00 C ATOM 296 O GLU A 239 15.254 12.932 2.411 1.00 0.00 O ATOM 297 CB GLU A 239 17.350 10.805 3.428 1.00 0.00 C ATOM 298 CG GLU A 239 17.899 11.665 4.575 1.00 0.00 C ATOM 299 CD GLU A 239 17.916 13.151 4.227 1.00 0.00 C ATOM 300 OE1 GLU A 239 18.738 13.535 3.361 1.00 0.00 O ATOM 301 OE2 GLU A 239 17.139 13.929 4.824 1.00 0.00 O ATOM 0 H GLU A 239 16.074 8.801 2.739 1.00 0.00 H new ATOM 0 HA GLU A 239 15.413 11.190 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 239 17.708 9.783 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 239 17.754 11.174 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 239 17.291 11.510 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 239 18.910 11.339 4.819 1.00 0.00 H new ATOM 308 N MET A 240 14.719 11.167 1.143 1.00 0.00 N ATOM 309 CA MET A 240 14.071 11.924 0.078 1.00 0.00 C ATOM 310 C MET A 240 12.573 11.975 0.302 1.00 0.00 C ATOM 311 O MET A 240 11.983 13.046 0.165 1.00 0.00 O ATOM 312 CB MET A 240 14.317 11.270 -1.284 1.00 0.00 C ATOM 313 CG MET A 240 15.656 11.670 -1.896 1.00 0.00 C ATOM 314 SD MET A 240 17.148 11.303 -0.944 1.00 0.00 S ATOM 315 CE MET A 240 17.561 12.947 -0.297 1.00 0.00 C ATOM 0 H MET A 240 14.735 10.162 0.968 1.00 0.00 H new ATOM 0 HA MET A 240 14.493 12.929 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 240 14.282 10.186 -1.174 1.00 0.00 H new ATOM 0 HB3 MET A 240 13.513 11.547 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 240 15.744 11.177 -2.864 1.00 0.00 H new ATOM 0 HG3 MET A 240 15.633 12.743 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 240 18.509 12.900 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 240 17.646 13.653 -1.124 1.00 0.00 H new ATOM 0 HE3 MET A 240 16.776 13.278 0.384 1.00 0.00 H new ATOM 325 N ASP A 241 11.935 10.834 0.556 1.00 0.00 N ATOM 326 CA ASP A 241 10.476 10.741 0.521 1.00 0.00 C ATOM 327 C ASP A 241 9.855 10.574 1.906 1.00 0.00 C ATOM 328 O ASP A 241 8.666 10.844 2.075 1.00 0.00 O ATOM 329 CB ASP A 241 10.013 9.645 -0.447 1.00 0.00 C ATOM 330 CG ASP A 241 8.847 10.183 -1.270 1.00 0.00 C ATOM 331 OD1 ASP A 241 9.118 10.914 -2.251 1.00 0.00 O ATOM 332 OD2 ASP A 241 7.668 10.007 -0.892 1.00 0.00 O ATOM 0 H ASP A 241 12.406 9.960 0.789 1.00 0.00 H new ATOM 0 HA ASP A 241 10.112 11.697 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 241 10.832 9.347 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 241 9.708 8.756 0.106 1.00 0.00 H new ATOM 337 N GLY A 242 10.655 10.242 2.923 1.00 0.00 N ATOM 338 CA GLY A 242 10.172 10.005 4.271 1.00 0.00 C ATOM 339 C GLY A 242 9.387 8.703 4.326 1.00 0.00 C ATOM 340 O GLY A 242 9.897 7.633 3.967 1.00 0.00 O ATOM 0 H GLY A 242 11.664 10.131 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 242 11.012 9.961 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 242 9.539 10.833 4.589 1.00 0.00 H new ATOM 344 N GLU A 243 8.157 8.825 4.818 1.00 0.00 N ATOM 345 CA GLU A 243 7.236 7.748 5.083 1.00 0.00 C ATOM 346 C GLU A 243 6.967 6.978 3.792 1.00 0.00 C ATOM 347 O GLU A 243 6.453 7.518 2.810 1.00 0.00 O ATOM 348 CB GLU A 243 5.980 8.301 5.797 1.00 0.00 C ATOM 349 CG GLU A 243 4.640 8.253 5.038 1.00 0.00 C ATOM 350 CD GLU A 243 3.487 8.777 5.894 1.00 0.00 C ATOM 351 OE1 GLU A 243 3.098 8.093 6.871 1.00 0.00 O ATOM 352 OE2 GLU A 243 2.946 9.870 5.617 1.00 0.00 O ATOM 0 H GLU A 243 7.763 9.736 5.053 1.00 0.00 H new ATOM 0 HA GLU A 243 7.660 7.019 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.856 7.751 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 243 6.177 9.340 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 243 4.716 8.847 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 243 4.431 7.228 4.734 1.00 0.00 H new ATOM 359 N TRP A 244 7.306 5.694 3.786 1.00 0.00 N ATOM 360 CA TRP A 244 6.751 4.784 2.809 1.00 0.00 C ATOM 361 C TRP A 244 5.313 4.453 3.222 1.00 0.00 C ATOM 362 O TRP A 244 4.975 4.455 4.411 1.00 0.00 O ATOM 363 CB TRP A 244 7.620 3.531 2.752 1.00 0.00 C ATOM 364 CG TRP A 244 7.125 2.499 1.798 1.00 0.00 C ATOM 365 CD1 TRP A 244 7.078 2.625 0.453 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.553 1.200 2.106 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.491 1.497 -0.083 1.00 0.00 N ATOM 368 CE2 TRP A 244 6.128 0.593 0.892 1.00 0.00 C ATOM 369 CE3 TRP A 244 6.408 0.451 3.289 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.514 -0.667 0.869 1.00 0.00 C ATOM 371 CZ3 TRP A 244 5.870 -0.845 3.267 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.353 -1.375 2.073 1.00 0.00 C ATOM 0 H TRP A 244 7.958 5.268 4.444 1.00 0.00 H new ATOM 0 HA TRP A 244 6.735 5.231 1.815 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.634 3.816 2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.677 3.094 3.749 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.441 3.472 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.343 1.350 -1.081 1.00 0.00 H new ATOM 0 HE3 TRP A 244 6.716 0.881 4.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.169 -1.089 -0.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 5.853 -1.437 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 244 4.834 -2.322 2.080 1.00 0.00 H new ATOM 383 N GLU A 245 4.482 4.090 2.250 1.00 0.00 N ATOM 384 CA GLU A 245 3.132 3.585 2.438 1.00 0.00 C ATOM 385 C GLU A 245 2.988 2.380 1.507 1.00 0.00 C ATOM 386 O GLU A 245 3.429 2.459 0.361 1.00 0.00 O ATOM 387 CB GLU A 245 2.119 4.699 2.140 1.00 0.00 C ATOM 388 CG GLU A 245 0.660 4.313 1.833 1.00 0.00 C ATOM 389 CD GLU A 245 -0.230 4.126 3.064 1.00 0.00 C ATOM 390 OE1 GLU A 245 -0.248 5.012 3.952 1.00 0.00 O ATOM 391 OE2 GLU A 245 -0.983 3.126 3.161 1.00 0.00 O ATOM 0 H GLU A 245 4.746 4.143 1.266 1.00 0.00 H new ATOM 0 HA GLU A 245 2.940 3.271 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 245 2.109 5.373 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 245 2.495 5.269 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.221 5.084 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 245 0.658 3.388 1.257 1.00 0.00 H new ATOM 398 N PRO A 246 2.405 1.267 1.967 1.00 0.00 N ATOM 399 CA PRO A 246 2.169 0.108 1.129 1.00 0.00 C ATOM 400 C PRO A 246 1.098 0.340 0.057 1.00 0.00 C ATOM 401 O PRO A 246 0.272 1.252 0.172 1.00 0.00 O ATOM 402 CB PRO A 246 1.751 -1.025 2.064 1.00 0.00 C ATOM 403 CG PRO A 246 1.482 -0.378 3.420 1.00 0.00 C ATOM 404 CD PRO A 246 1.879 1.093 3.297 1.00 0.00 C ATOM 0 HA PRO A 246 3.079 -0.127 0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 246 0.861 -1.530 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.536 -1.777 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 246 0.431 -0.473 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 246 2.059 -0.869 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 246 1.019 1.742 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.625 1.357 4.046 1.00 0.00 H new ATOM 412 N PRO A 247 1.053 -0.536 -0.957 1.00 0.00 N ATOM 413 CA PRO A 247 -0.107 -0.670 -1.807 1.00 0.00 C ATOM 414 C PRO A 247 -1.292 -1.269 -1.040 1.00 0.00 C ATOM 415 O PRO A 247 -1.300 -1.411 0.189 1.00 0.00 O ATOM 416 CB PRO A 247 0.348 -1.533 -2.981 1.00 0.00 C ATOM 417 CG PRO A 247 1.524 -2.352 -2.457 1.00 0.00 C ATOM 418 CD PRO A 247 2.008 -1.601 -1.217 1.00 0.00 C ATOM 0 HA PRO A 247 -0.473 0.293 -2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.458 -2.181 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 247 0.647 -0.916 -3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 247 1.218 -3.368 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 247 2.314 -2.431 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 247 2.076 -2.274 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 247 3.005 -1.192 -1.380 1.00 0.00 H new ATOM 426 N VAL A 248 -2.324 -1.597 -1.799 1.00 0.00 N ATOM 427 CA VAL A 248 -3.556 -2.195 -1.369 1.00 0.00 C ATOM 428 C VAL A 248 -3.842 -3.423 -2.228 1.00 0.00 C ATOM 429 O VAL A 248 -3.078 -3.749 -3.141 1.00 0.00 O ATOM 430 CB VAL A 248 -4.655 -1.140 -1.501 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.463 0.016 -0.514 1.00 0.00 C ATOM 432 CG2 VAL A 248 -4.795 -0.566 -2.916 1.00 0.00 C ATOM 0 H VAL A 248 -2.311 -1.436 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.504 -2.525 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 248 -5.574 -1.676 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.266 0.742 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.482 -0.369 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -3.504 0.499 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -5.594 0.175 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -3.858 -0.095 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.033 -1.370 -3.613 1.00 0.00 H new ATOM 442 N ILE A 249 -4.961 -4.078 -1.953 1.00 0.00 N ATOM 443 CA ILE A 249 -5.499 -5.192 -2.685 1.00 0.00 C ATOM 444 C ILE A 249 -6.966 -4.852 -2.952 1.00 0.00 C ATOM 445 O ILE A 249 -7.625 -4.174 -2.147 1.00 0.00 O ATOM 446 CB ILE A 249 -5.270 -6.512 -1.901 1.00 0.00 C ATOM 447 CG1 ILE A 249 -6.232 -6.733 -0.709 1.00 0.00 C ATOM 448 CG2 ILE A 249 -3.809 -6.586 -1.394 1.00 0.00 C ATOM 449 CD1 ILE A 249 -6.394 -8.208 -0.327 1.00 0.00 C ATOM 0 H ILE A 249 -5.547 -3.821 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.001 -5.359 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.480 -7.308 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.863 -6.180 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.209 -6.320 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.661 -7.516 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.127 -6.553 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.609 -5.741 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -7.081 -8.292 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -6.792 -8.762 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.424 -8.620 -0.047 1.00 0.00 H new ATOM 461 N GLN A 250 -7.495 -5.352 -4.064 1.00 0.00 N ATOM 462 CA GLN A 250 -8.932 -5.387 -4.283 1.00 0.00 C ATOM 463 C GLN A 250 -9.513 -6.261 -3.165 1.00 0.00 C ATOM 464 O GLN A 250 -8.974 -7.329 -2.865 1.00 0.00 O ATOM 465 CB GLN A 250 -9.253 -5.828 -5.730 1.00 0.00 C ATOM 466 CG GLN A 250 -9.385 -7.337 -6.024 1.00 0.00 C ATOM 467 CD GLN A 250 -10.650 -7.994 -5.455 1.00 0.00 C ATOM 468 OE1 GLN A 250 -11.733 -7.257 -5.253 1.00 0.00 O flip ATOM 469 NE2 GLN A 250 -10.683 -9.195 -5.189 1.00 0.00 N flip ATOM 0 H GLN A 250 -6.944 -5.740 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.406 -4.407 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -10.187 -5.349 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -8.473 -5.430 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -9.369 -7.485 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -8.512 -7.850 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -9.857 -9.774 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -11.537 -9.612 -4.818 1.00 0.00 H new ATOM 478 N ASN A 251 -10.569 -5.804 -2.493 1.00 0.00 N ATOM 479 CA ASN A 251 -11.096 -6.517 -1.334 1.00 0.00 C ATOM 480 C ASN A 251 -11.781 -7.809 -1.808 1.00 0.00 C ATOM 481 O ASN A 251 -12.758 -7.722 -2.566 1.00 0.00 O ATOM 482 CB ASN A 251 -12.085 -5.636 -0.568 1.00 0.00 C ATOM 483 CG ASN A 251 -12.633 -6.297 0.695 1.00 0.00 C ATOM 484 OD1 ASN A 251 -12.511 -7.493 0.932 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.260 -5.542 1.570 1.00 0.00 N ATOM 0 H ASN A 251 -11.072 -4.949 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.277 -6.768 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -11.593 -4.702 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -12.916 -5.379 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -13.633 -5.955 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.373 -4.544 1.394 1.00 0.00 H new ATOM 492 N PRO A 252 -11.349 -9.001 -1.357 1.00 0.00 N ATOM 493 CA PRO A 252 -11.949 -10.259 -1.781 1.00 0.00 C ATOM 494 C PRO A 252 -13.419 -10.405 -1.354 1.00 0.00 C ATOM 495 O PRO A 252 -14.145 -11.166 -2.001 1.00 0.00 O ATOM 496 CB PRO A 252 -11.054 -11.348 -1.178 1.00 0.00 C ATOM 497 CG PRO A 252 -10.459 -10.689 0.062 1.00 0.00 C ATOM 498 CD PRO A 252 -10.272 -9.249 -0.406 1.00 0.00 C ATOM 0 HA PRO A 252 -11.994 -10.325 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -11.627 -12.239 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -10.277 -11.659 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -11.127 -10.756 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -9.515 -11.149 0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -10.323 -8.555 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -9.297 -9.113 -0.874 1.00 0.00 H new ATOM 506 N GLU A 253 -13.885 -9.672 -0.336 1.00 0.00 N ATOM 507 CA GLU A 253 -15.275 -9.594 0.093 1.00 0.00 C ATOM 508 C GLU A 253 -15.564 -8.181 0.622 1.00 0.00 C ATOM 509 O GLU A 253 -15.841 -7.963 1.808 1.00 0.00 O ATOM 510 CB GLU A 253 -15.607 -10.658 1.149 1.00 0.00 C ATOM 511 CG GLU A 253 -15.724 -12.093 0.611 1.00 0.00 C ATOM 512 CD GLU A 253 -16.673 -12.885 1.510 1.00 0.00 C ATOM 513 OE1 GLU A 253 -16.447 -12.957 2.742 1.00 0.00 O ATOM 514 OE2 GLU A 253 -17.778 -13.256 1.060 1.00 0.00 O ATOM 0 H GLU A 253 -13.269 -9.092 0.234 1.00 0.00 H new ATOM 0 HA GLU A 253 -15.915 -9.796 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -14.836 -10.637 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -16.547 -10.389 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -16.097 -12.082 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -14.743 -12.568 0.588 1.00 0.00 H new ATOM 521 N TYR A 254 -15.530 -7.197 -0.274 1.00 0.00 N ATOM 522 CA TYR A 254 -16.190 -5.925 -0.030 1.00 0.00 C ATOM 523 C TYR A 254 -17.684 -6.204 0.019 1.00 0.00 C ATOM 524 O TYR A 254 -18.288 -6.615 -0.974 1.00 0.00 O ATOM 525 CB TYR A 254 -15.865 -4.886 -1.107 1.00 0.00 C ATOM 526 CG TYR A 254 -16.699 -3.618 -1.043 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.865 -2.916 0.168 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.268 -3.109 -2.222 1.00 0.00 C ATOM 529 CE1 TYR A 254 -17.559 -1.693 0.190 1.00 0.00 C ATOM 530 CE2 TYR A 254 -17.967 -1.890 -2.210 1.00 0.00 C ATOM 531 CZ TYR A 254 -18.100 -1.168 -1.006 1.00 0.00 C ATOM 532 OH TYR A 254 -18.710 0.048 -1.016 1.00 0.00 O ATOM 0 H TYR A 254 -15.052 -7.260 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 254 -15.836 -5.500 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -14.812 -4.616 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -16.001 -5.344 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -16.457 -3.319 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -17.167 -3.659 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -17.678 -1.156 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -18.402 -1.507 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 254 -19.021 0.250 -1.923 1.00 0.00 H new ATOM 542 N LYS A 255 -18.293 -5.983 1.179 1.00 0.00 N ATOM 543 CA LYS A 255 -19.745 -5.930 1.335 1.00 0.00 C ATOM 544 C LYS A 255 -20.153 -4.486 1.608 1.00 0.00 C ATOM 545 O LYS A 255 -21.161 -4.020 1.075 1.00 0.00 O ATOM 546 CB LYS A 255 -20.169 -6.911 2.443 1.00 0.00 C ATOM 547 CG LYS A 255 -21.678 -7.200 2.474 1.00 0.00 C ATOM 548 CD LYS A 255 -22.495 -6.189 3.287 1.00 0.00 C ATOM 549 CE LYS A 255 -23.995 -6.464 3.179 1.00 0.00 C ATOM 550 NZ LYS A 255 -24.585 -5.842 1.982 1.00 0.00 N ATOM 0 H LYS A 255 -17.786 -5.833 2.051 1.00 0.00 H new ATOM 0 HA LYS A 255 -20.261 -6.243 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -19.632 -7.850 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -19.867 -6.506 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -22.055 -7.216 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -21.837 -8.196 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -22.191 -6.231 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -22.283 -5.180 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -24.165 -7.540 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -24.498 -6.086 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -25.603 -6.053 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -24.446 -4.812 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -24.124 -6.221 1.131 1.00 0.00 H new ATOM 564 N GLY A 256 -19.363 -3.790 2.422 1.00 0.00 N ATOM 565 CA GLY A 256 -19.772 -2.631 3.177 1.00 0.00 C ATOM 566 C GLY A 256 -19.914 -3.085 4.615 1.00 0.00 C ATOM 567 O GLY A 256 -20.571 -2.360 5.391 1.00 0.00 O ATOM 0 H GLY A 256 -18.385 -4.036 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -19.035 -1.833 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -20.715 -2.235 2.800 1.00 0.00 H new TER 571 GLY A 256