USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 280 hydrogens (15 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 NoAdj-H: A 10 EAB HN2 : A 10 EAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: A 10 EAB HN1 : A 10 EAB N : A 9 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.27) USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.211 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.63) USER MOD Single : B 23 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : B 24 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.57) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.135 -13.944 0.323 1.00 0.00 N ATOM 2 CA GLY A 1 -5.019 -13.548 1.733 1.00 0.00 C ATOM 3 C GLY A 1 -4.823 -12.046 1.854 1.00 0.00 C ATOM 4 O GLY A 1 -3.717 -11.578 1.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.268 -14.974 0.261 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.951 -13.463 -0.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.268 -13.676 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.916 -13.848 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.179 -14.068 2.194 1.00 0.00 H new ATOM 8 N PRO A 2 -5.843 -11.256 2.226 1.00 0.00 N ATOM 9 CA PRO A 2 -5.689 -9.812 2.362 1.00 0.00 C ATOM 10 C PRO A 2 -4.625 -9.411 3.398 1.00 0.00 C ATOM 11 O PRO A 2 -3.861 -8.485 3.120 1.00 0.00 O ATOM 12 CB PRO A 2 -7.077 -9.278 2.710 1.00 0.00 C ATOM 13 CG PRO A 2 -7.802 -10.479 3.307 1.00 0.00 C ATOM 14 CD PRO A 2 -7.205 -11.657 2.544 1.00 0.00 C ATOM 0 HA PRO A 2 -5.319 -9.376 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.020 -8.454 3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.592 -8.901 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.627 -10.563 4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.880 -10.411 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.217 -12.564 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.774 -11.869 1.639 1.00 0.00 H new ATOM 22 N SER A 3 -4.575 -10.037 4.581 1.00 0.00 N ATOM 23 CA SER A 3 -3.571 -9.684 5.583 1.00 0.00 C ATOM 24 C SER A 3 -2.178 -10.006 5.035 1.00 0.00 C ATOM 25 O SER A 3 -1.964 -11.101 4.505 1.00 0.00 O ATOM 26 CB SER A 3 -3.846 -10.401 6.909 1.00 0.00 C ATOM 27 OG SER A 3 -4.948 -9.788 7.555 1.00 0.00 O ATOM 0 H SER A 3 -5.212 -10.782 4.862 1.00 0.00 H new ATOM 0 HA SER A 3 -3.621 -8.615 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.056 -11.455 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.965 -10.357 7.549 1.00 0.00 H new ATOM 0 HG SER A 3 -5.127 -10.246 8.403 1.00 0.00 H new ATOM 33 N GLN A 4 -1.253 -9.052 5.148 1.00 0.00 N ATOM 34 CA GLN A 4 0.129 -9.120 4.701 1.00 0.00 C ATOM 35 C GLN A 4 1.025 -8.469 5.782 1.00 0.00 C ATOM 36 O GLN A 4 1.307 -7.270 5.700 1.00 0.00 O ATOM 37 CB GLN A 4 0.201 -8.440 3.318 1.00 0.00 C ATOM 38 CG GLN A 4 1.597 -8.428 2.689 1.00 0.00 C ATOM 39 CD GLN A 4 2.188 -9.825 2.541 1.00 0.00 C ATOM 40 OE1 GLN A 4 2.807 -10.336 3.469 1.00 0.00 O ATOM 41 NE2 GLN A 4 2.064 -10.440 1.380 1.00 0.00 N ATOM 0 H GLN A 4 -1.469 -8.155 5.583 1.00 0.00 H new ATOM 0 HA GLN A 4 0.494 -10.140 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.485 -8.949 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.150 -7.412 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.545 -7.954 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.262 -7.820 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.545 -9.998 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.487 -11.358 1.241 1.00 0.00 H new ATOM 50 N PRO A 5 1.451 -9.214 6.821 1.00 0.00 N ATOM 51 CA PRO A 5 2.287 -8.709 7.909 1.00 0.00 C ATOM 52 C PRO A 5 3.734 -8.460 7.455 1.00 0.00 C ATOM 53 O PRO A 5 4.483 -9.405 7.187 1.00 0.00 O ATOM 54 CB PRO A 5 2.198 -9.772 9.007 1.00 0.00 C ATOM 55 CG PRO A 5 1.981 -11.069 8.232 1.00 0.00 C ATOM 56 CD PRO A 5 1.169 -10.629 7.017 1.00 0.00 C ATOM 0 HA PRO A 5 1.942 -7.738 8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.109 -9.809 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.375 -9.572 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.927 -11.524 7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.444 -11.807 8.828 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.447 -11.206 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.104 -10.793 7.182 1.00 0.00 H new ATOM 64 N THR A 6 4.125 -7.195 7.304 1.00 0.00 N ATOM 65 CA THR A 6 5.468 -6.809 6.884 1.00 0.00 C ATOM 66 C THR A 6 6.433 -6.907 8.062 1.00 0.00 C ATOM 67 O THR A 6 6.098 -6.397 9.134 1.00 0.00 O ATOM 68 CB THR A 6 5.444 -5.365 6.361 1.00 0.00 C ATOM 69 OG1 THR A 6 4.876 -4.485 7.319 1.00 0.00 O ATOM 70 CG2 THR A 6 4.645 -5.253 5.060 1.00 0.00 C ATOM 0 H THR A 6 3.508 -6.400 7.473 1.00 0.00 H new ATOM 0 HA THR A 6 5.802 -7.481 6.093 1.00 0.00 H new ATOM 0 HB THR A 6 6.480 -5.083 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.967 -4.873 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.649 -4.218 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.098 -5.888 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.618 -5.573 5.235 1.00 0.00 H new ATOM 78 N TYR A 7 7.665 -7.376 7.839 1.00 0.00 N ATOM 79 CA TYR A 7 8.653 -7.489 8.903 1.00 0.00 C ATOM 80 C TYR A 7 10.039 -7.035 8.419 1.00 0.00 C ATOM 81 O TYR A 7 10.855 -7.870 8.013 1.00 0.00 O ATOM 82 CB TYR A 7 8.643 -8.913 9.465 1.00 0.00 C ATOM 83 CG TYR A 7 9.413 -9.017 10.763 1.00 0.00 C ATOM 84 CD1 TYR A 7 8.920 -8.376 11.913 1.00 0.00 C ATOM 85 CD2 TYR A 7 10.618 -9.736 10.821 1.00 0.00 C ATOM 86 CE1 TYR A 7 9.605 -8.488 13.133 1.00 0.00 C ATOM 87 CE2 TYR A 7 11.283 -9.893 12.049 1.00 0.00 C ATOM 88 CZ TYR A 7 10.775 -9.272 13.212 1.00 0.00 C ATOM 89 OH TYR A 7 11.414 -9.429 14.399 1.00 0.00 O ATOM 0 H TYR A 7 7.997 -7.683 6.925 1.00 0.00 H new ATOM 0 HA TYR A 7 8.391 -6.817 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.613 -9.231 9.628 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.075 -9.595 8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.011 -7.795 11.858 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.033 -10.168 9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.237 -7.975 14.009 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.182 -10.488 12.104 1.00 0.00 H new ATOM 0 HH TYR A 7 12.201 -10.000 14.274 1.00 0.00 H new ATOM 99 N PRO A 8 10.313 -5.719 8.378 1.00 0.00 N ATOM 100 CA PRO A 8 11.602 -5.184 7.941 1.00 0.00 C ATOM 101 C PRO A 8 12.683 -5.403 9.009 1.00 0.00 C ATOM 102 O PRO A 8 12.367 -5.768 10.148 1.00 0.00 O ATOM 103 CB PRO A 8 11.341 -3.688 7.736 1.00 0.00 C ATOM 104 CG PRO A 8 10.296 -3.377 8.805 1.00 0.00 C ATOM 105 CD PRO A 8 9.438 -4.640 8.817 1.00 0.00 C ATOM 0 HA PRO A 8 11.967 -5.675 7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.247 -3.097 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.969 -3.476 6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.754 -3.190 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.711 -2.493 8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.045 -4.836 9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.581 -4.537 8.152 1.00 0.00 H new ATOM 113 N GLY A 9 13.951 -5.137 8.680 1.00 0.00 N ATOM 114 CA GLY A 9 15.030 -5.295 9.649 1.00 0.00 C ATOM 115 C GLY A 9 16.466 -5.228 9.138 1.00 0.00 C ATOM 116 O GLY A 9 17.374 -5.261 9.968 1.00 0.00 O ATOM 0 H GLY A 9 14.249 -4.815 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.910 -4.525 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.896 -6.257 10.144 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO B 11 13.061 2.204 -2.388 1.00 0.00 N ATOM 122 CA PRO B 11 12.422 3.500 -2.578 1.00 0.00 C ATOM 123 C PRO B 11 11.088 3.519 -1.821 1.00 0.00 C ATOM 124 O PRO B 11 10.014 3.365 -2.403 1.00 0.00 O ATOM 125 CB PRO B 11 12.283 3.670 -4.094 1.00 0.00 C ATOM 126 CG PRO B 11 12.146 2.235 -4.595 1.00 0.00 C ATOM 127 CD PRO B 11 13.027 1.447 -3.629 1.00 0.00 C ATOM 0 HA PRO B 11 12.993 4.338 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO B 11 11.412 4.272 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO B 11 13.153 4.166 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO B 11 11.111 1.895 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO B 11 12.486 2.133 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO B 11 12.623 0.448 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO B 11 14.031 1.322 -4.034 1.00 0.00 H new ATOM 135 N VAL B 12 11.177 3.891 -0.548 1.00 0.00 N ATOM 136 CA VAL B 12 10.106 3.985 0.427 1.00 0.00 C ATOM 137 C VAL B 12 8.868 4.661 -0.151 1.00 0.00 C ATOM 138 O VAL B 12 7.817 4.040 -0.192 1.00 0.00 O ATOM 139 CB VAL B 12 10.607 4.705 1.703 1.00 0.00 C ATOM 140 CG1 VAL B 12 9.701 4.396 2.900 1.00 0.00 C ATOM 141 CG2 VAL B 12 12.040 4.328 2.096 1.00 0.00 C ATOM 0 H VAL B 12 12.075 4.155 -0.143 1.00 0.00 H new ATOM 0 HA VAL B 12 9.807 2.973 0.699 1.00 0.00 H new ATOM 0 HB VAL B 12 10.584 5.766 1.455 1.00 0.00 H new ATOM 0 HG11 VAL B 12 10.075 4.914 3.783 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.687 4.732 2.685 1.00 0.00 H new ATOM 0 HG13 VAL B 12 9.696 3.322 3.085 1.00 0.00 H new ATOM 0 HG21 VAL B 12 12.324 4.870 2.998 1.00 0.00 H new ATOM 0 HG22 VAL B 12 12.096 3.256 2.284 1.00 0.00 H new ATOM 0 HG23 VAL B 12 12.720 4.590 1.286 1.00 0.00 H new ATOM 151 N GLU B 13 9.011 5.878 -0.675 1.00 0.00 N ATOM 152 CA GLU B 13 7.930 6.681 -1.236 1.00 0.00 C ATOM 153 C GLU B 13 7.113 5.976 -2.323 1.00 0.00 C ATOM 154 O GLU B 13 5.915 6.227 -2.444 1.00 0.00 O ATOM 155 CB GLU B 13 8.547 8.000 -1.743 1.00 0.00 C ATOM 156 CG GLU B 13 7.658 9.230 -1.535 1.00 0.00 C ATOM 157 CD GLU B 13 6.445 9.309 -2.463 1.00 0.00 C ATOM 158 OE1 GLU B 13 6.654 9.319 -3.696 1.00 0.00 O ATOM 159 OE2 GLU B 13 5.390 9.775 -1.971 1.00 0.00 O ATOM 0 H GLU B 13 9.916 6.347 -0.721 1.00 0.00 H new ATOM 0 HA GLU B 13 7.199 6.868 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.497 8.162 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.767 7.900 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.309 9.238 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.263 10.126 -1.674 1.00 0.00 H new ATOM 166 N ASP B 14 7.741 5.125 -3.131 1.00 0.00 N ATOM 167 CA ASP B 14 7.076 4.396 -4.206 1.00 0.00 C ATOM 168 C ASP B 14 6.305 3.188 -3.675 1.00 0.00 C ATOM 169 O ASP B 14 5.206 2.877 -4.148 1.00 0.00 O ATOM 170 CB ASP B 14 8.123 3.934 -5.216 1.00 0.00 C ATOM 171 CG ASP B 14 7.461 3.199 -6.378 1.00 0.00 C ATOM 172 OD1 ASP B 14 7.323 3.839 -7.442 1.00 0.00 O ATOM 173 OD2 ASP B 14 7.618 1.965 -6.445 1.00 0.00 O ATOM 0 H ASP B 14 8.737 4.921 -3.056 1.00 0.00 H new ATOM 0 HA ASP B 14 6.358 5.064 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP B 14 8.678 4.794 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP B 14 8.843 3.278 -4.727 1.00 0.00 H new ATOM 178 N LEU B 15 6.872 2.509 -2.678 1.00 0.00 N ATOM 179 CA LEU B 15 6.299 1.326 -2.060 1.00 0.00 C ATOM 180 C LEU B 15 5.185 1.664 -1.069 1.00 0.00 C ATOM 181 O LEU B 15 4.115 1.060 -1.127 1.00 0.00 O ATOM 182 CB LEU B 15 7.434 0.539 -1.378 1.00 0.00 C ATOM 183 CG LEU B 15 7.266 -0.991 -1.350 1.00 0.00 C ATOM 184 CD1 LEU B 15 6.002 -1.484 -0.641 1.00 0.00 C ATOM 185 CD2 LEU B 15 7.328 -1.614 -2.747 1.00 0.00 C ATOM 0 H LEU B 15 7.767 2.779 -2.271 1.00 0.00 H new ATOM 0 HA LEU B 15 5.831 0.716 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU B 15 8.369 0.774 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU B 15 7.531 0.894 -0.352 1.00 0.00 H new ATOM 0 HG LEU B 15 8.119 -1.325 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.969 -2.573 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 15 6.013 -1.150 0.397 1.00 0.00 H new ATOM 0 HD13 LEU B 15 5.123 -1.080 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.204 -2.694 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU B 15 6.531 -1.201 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU B 15 8.293 -1.391 -3.202 1.00 0.00 H new ATOM 197 N ILE B 16 5.387 2.649 -0.187 1.00 0.00 N ATOM 198 CA ILE B 16 4.382 3.001 0.813 1.00 0.00 C ATOM 199 C ILE B 16 3.084 3.514 0.201 1.00 0.00 C ATOM 200 O ILE B 16 2.033 3.305 0.806 1.00 0.00 O ATOM 201 CB ILE B 16 4.936 3.944 1.904 1.00 0.00 C ATOM 202 CG1 ILE B 16 5.205 5.365 1.357 1.00 0.00 C ATOM 203 CG2 ILE B 16 6.138 3.270 2.605 1.00 0.00 C ATOM 204 CD1 ILE B 16 5.734 6.362 2.390 1.00 0.00 C ATOM 0 H ILE B 16 6.236 3.213 -0.148 1.00 0.00 H new ATOM 0 HA ILE B 16 4.125 2.068 1.315 1.00 0.00 H new ATOM 0 HB ILE B 16 4.183 4.106 2.675 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.923 5.294 0.540 1.00 0.00 H new ATOM 0 HG13 ILE B 16 4.280 5.757 0.935 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.530 3.935 3.375 1.00 0.00 H new ATOM 0 HG22 ILE B 16 5.815 2.335 3.063 1.00 0.00 H new ATOM 0 HG23 ILE B 16 6.918 3.064 1.872 1.00 0.00 H new ATOM 0 HD11 ILE B 16 5.892 7.330 1.914 1.00 0.00 H new ATOM 0 HD12 ILE B 16 5.009 6.469 3.197 1.00 0.00 H new ATOM 0 HD13 ILE B 16 6.678 5.999 2.796 1.00 0.00 H new ATOM 216 N ARG B 17 3.106 4.119 -0.993 1.00 0.00 N ATOM 217 CA ARG B 17 1.867 4.619 -1.585 1.00 0.00 C ATOM 218 C ARG B 17 0.909 3.500 -1.962 1.00 0.00 C ATOM 219 O ARG B 17 -0.300 3.651 -1.800 1.00 0.00 O ATOM 220 CB ARG B 17 2.212 5.539 -2.763 1.00 0.00 C ATOM 221 CG ARG B 17 0.979 6.254 -3.337 1.00 0.00 C ATOM 222 CD ARG B 17 1.322 7.349 -4.356 1.00 0.00 C ATOM 223 NE ARG B 17 2.183 8.387 -3.767 1.00 0.00 N ATOM 224 CZ ARG B 17 1.793 9.413 -3.003 1.00 0.00 C ATOM 225 NH1 ARG B 17 0.504 9.680 -2.789 1.00 0.00 N ATOM 226 NH2 ARG B 17 2.703 10.157 -2.386 1.00 0.00 N ATOM 0 H ARG B 17 3.945 4.270 -1.553 1.00 0.00 H new ATOM 0 HA ARG B 17 1.327 5.203 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG B 17 2.939 6.283 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG B 17 2.686 4.953 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG B 17 0.331 5.518 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG B 17 0.412 6.696 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG B 17 1.824 6.903 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG B 17 0.403 7.804 -4.725 1.00 0.00 H new ATOM 0 HE ARG B 17 3.182 8.317 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -0.215 9.094 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG B 17 0.238 10.470 -2.201 1.00 0.00 H new ATOM 0 HH21 ARG B 17 3.695 9.945 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG B 17 2.411 10.941 -1.802 1.00 0.00 H new ATOM 240 N PHE B 18 1.449 2.319 -2.228 1.00 0.00 N ATOM 241 CA PHE B 18 0.673 1.138 -2.593 1.00 0.00 C ATOM 242 C PHE B 18 0.094 0.440 -1.350 1.00 0.00 C ATOM 243 O PHE B 18 -0.506 -0.631 -1.454 1.00 0.00 O ATOM 244 CB PHE B 18 1.511 0.206 -3.487 1.00 0.00 C ATOM 245 CG PHE B 18 0.687 -0.839 -4.222 1.00 0.00 C ATOM 246 CD1 PHE B 18 -0.218 -0.443 -5.226 1.00 0.00 C ATOM 247 CD2 PHE B 18 0.775 -2.200 -3.871 1.00 0.00 C ATOM 248 CE1 PHE B 18 -1.037 -1.396 -5.858 1.00 0.00 C ATOM 249 CE2 PHE B 18 -0.064 -3.147 -4.485 1.00 0.00 C ATOM 250 CZ PHE B 18 -0.971 -2.749 -5.480 1.00 0.00 C ATOM 0 H PHE B 18 2.454 2.150 -2.196 1.00 0.00 H new ATOM 0 HA PHE B 18 -0.191 1.446 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE B 18 2.053 0.808 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE B 18 2.257 -0.298 -2.873 1.00 0.00 H new ATOM 0 HD1 PHE B 18 -0.283 0.596 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE B 18 1.490 -2.518 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE B 18 -1.719 -1.088 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE B 18 -0.010 -4.185 -4.190 1.00 0.00 H new ATOM 0 HZ PHE B 18 -1.614 -3.477 -5.952 1.00 0.00 H new ATOM 260 N TYR B 19 0.302 1.005 -0.158 1.00 0.00 N ATOM 261 CA TYR B 19 -0.202 0.488 1.107 1.00 0.00 C ATOM 262 C TYR B 19 -1.036 1.590 1.760 1.00 0.00 C ATOM 263 O TYR B 19 -2.176 1.345 2.142 1.00 0.00 O ATOM 264 CB TYR B 19 0.934 -0.042 1.993 1.00 0.00 C ATOM 265 CG TYR B 19 0.541 -1.281 2.782 1.00 0.00 C ATOM 266 CD1 TYR B 19 -0.589 -1.262 3.621 1.00 0.00 C ATOM 267 CD2 TYR B 19 1.263 -2.481 2.625 1.00 0.00 C ATOM 268 CE1 TYR B 19 -1.004 -2.426 4.288 1.00 0.00 C ATOM 269 CE2 TYR B 19 0.851 -3.655 3.278 1.00 0.00 C ATOM 270 CZ TYR B 19 -0.282 -3.626 4.121 1.00 0.00 C ATOM 271 OH TYR B 19 -0.634 -4.751 4.790 1.00 0.00 O ATOM 0 H TYR B 19 0.844 1.862 -0.048 1.00 0.00 H new ATOM 0 HA TYR B 19 -0.843 -0.379 0.946 1.00 0.00 H new ATOM 0 HB2 TYR B 19 1.797 -0.274 1.369 1.00 0.00 H new ATOM 0 HB3 TYR B 19 1.243 0.741 2.686 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -1.142 -0.344 3.753 1.00 0.00 H new ATOM 0 HD2 TYR B 19 2.141 -2.498 1.997 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.874 -2.402 4.927 1.00 0.00 H new ATOM 0 HE2 TYR B 19 1.398 -4.575 3.136 1.00 0.00 H new ATOM 0 HH TYR B 19 -0.024 -5.479 4.549 1.00 0.00 H new ATOM 281 N ASN B 20 -0.557 2.837 1.751 1.00 0.00 N ATOM 282 CA ASN B 20 -1.275 3.971 2.316 1.00 0.00 C ATOM 283 C ASN B 20 -2.583 4.154 1.555 1.00 0.00 C ATOM 284 O ASN B 20 -3.625 4.347 2.175 1.00 0.00 O ATOM 285 CB ASN B 20 -0.436 5.255 2.234 1.00 0.00 C ATOM 286 CG ASN B 20 0.502 5.418 3.420 1.00 0.00 C ATOM 287 OD1 ASN B 20 0.112 5.201 4.562 1.00 0.00 O ATOM 288 ND2 ASN B 20 1.743 5.810 3.197 1.00 0.00 N ATOM 0 H ASN B 20 0.347 3.084 1.347 1.00 0.00 H new ATOM 0 HA ASN B 20 -1.478 3.773 3.368 1.00 0.00 H new ATOM 0 HB2 ASN B 20 0.147 5.245 1.313 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.102 6.117 2.181 1.00 0.00 H new ATOM 0 HD21 ASN B 20 2.387 5.935 3.978 1.00 0.00 H new ATOM 0 HD22 ASN B 20 2.058 5.988 2.243 1.00 0.00 H new ATOM 295 N ASP B 21 -2.567 4.042 0.222 1.00 0.00 N ATOM 296 CA ASP B 21 -3.778 4.188 -0.582 1.00 0.00 C ATOM 297 C ASP B 21 -4.662 2.944 -0.428 1.00 0.00 C ATOM 298 O ASP B 21 -5.854 2.979 -0.747 1.00 0.00 O ATOM 299 CB ASP B 21 -3.447 4.356 -2.065 1.00 0.00 C ATOM 300 CG ASP B 21 -2.600 5.567 -2.453 1.00 0.00 C ATOM 301 OD1 ASP B 21 -2.525 6.574 -1.704 1.00 0.00 O ATOM 302 OD2 ASP B 21 -2.140 5.564 -3.616 1.00 0.00 O ATOM 0 H ASP B 21 -1.725 3.850 -0.321 1.00 0.00 H new ATOM 0 HA ASP B 21 -4.299 5.077 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -2.928 3.458 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.385 4.407 -2.618 1.00 0.00 H new ATOM 307 N LEU B 22 -4.082 1.794 -0.060 1.00 0.00 N ATOM 308 CA LEU B 22 -4.826 0.554 0.139 1.00 0.00 C ATOM 309 C LEU B 22 -5.716 0.718 1.372 1.00 0.00 C ATOM 310 O LEU B 22 -6.798 0.134 1.416 1.00 0.00 O ATOM 311 CB LEU B 22 -3.873 -0.647 0.237 1.00 0.00 C ATOM 312 CG LEU B 22 -4.557 -2.021 0.344 1.00 0.00 C ATOM 313 CD1 LEU B 22 -5.562 -2.285 -0.781 1.00 0.00 C ATOM 314 CD2 LEU B 22 -3.462 -3.090 0.318 1.00 0.00 C ATOM 0 H LEU B 22 -3.080 1.703 0.107 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.467 0.349 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -3.226 -0.649 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -3.231 -0.510 1.107 1.00 0.00 H new ATOM 0 HG LEU B 22 -5.127 -2.046 1.273 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -6.008 -3.270 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.344 -1.526 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.050 -2.247 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.916 -4.078 0.392 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.904 -3.017 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -2.785 -2.938 1.158 1.00 0.00 H new ATOM 326 N GLN B 23 -5.319 1.553 2.341 1.00 0.00 N ATOM 327 CA GLN B 23 -6.118 1.822 3.531 1.00 0.00 C ATOM 328 C GLN B 23 -7.384 2.555 3.077 1.00 0.00 C ATOM 329 O GLN B 23 -8.484 2.199 3.487 1.00 0.00 O ATOM 330 CB GLN B 23 -5.354 2.689 4.545 1.00 0.00 C ATOM 331 CG GLN B 23 -3.957 2.215 4.983 1.00 0.00 C ATOM 332 CD GLN B 23 -3.921 0.839 5.642 1.00 0.00 C ATOM 333 OE1 GLN B 23 -4.946 0.206 5.887 1.00 0.00 O ATOM 334 NE2 GLN B 23 -2.745 0.327 5.953 1.00 0.00 N ATOM 0 H GLN B 23 -4.433 2.059 2.317 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.357 0.882 4.027 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.252 3.688 4.122 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.972 2.783 5.438 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -3.304 2.201 4.110 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -3.543 2.945 5.678 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -1.892 0.849 5.751 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -2.689 -0.591 6.395 1.00 0.00 H new ATOM 343 N GLN B 24 -7.253 3.499 2.135 1.00 0.00 N ATOM 344 CA GLN B 24 -8.389 4.251 1.613 1.00 0.00 C ATOM 345 C GLN B 24 -9.327 3.282 0.894 1.00 0.00 C ATOM 346 O GLN B 24 -10.534 3.360 1.101 1.00 0.00 O ATOM 347 CB GLN B 24 -7.937 5.424 0.730 1.00 0.00 C ATOM 348 CG GLN B 24 -7.558 6.677 1.540 1.00 0.00 C ATOM 349 CD GLN B 24 -6.388 6.440 2.493 1.00 0.00 C ATOM 350 OE1 GLN B 24 -6.546 5.943 3.602 1.00 0.00 O ATOM 351 NE2 GLN B 24 -5.164 6.692 2.065 1.00 0.00 N ATOM 0 H GLN B 24 -6.358 3.758 1.719 1.00 0.00 H new ATOM 0 HA GLN B 24 -8.938 4.712 2.434 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -7.081 5.112 0.132 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.737 5.677 0.034 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -7.302 7.483 0.853 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -8.424 7.009 2.112 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -5.021 7.106 1.144 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -4.362 6.473 2.656 1.00 0.00 H new ATOM 360 N TYR B 25 -8.793 2.313 0.141 1.00 0.00 N ATOM 361 CA TYR B 25 -9.596 1.303 -0.551 1.00 0.00 C ATOM 362 C TYR B 25 -10.359 0.527 0.529 1.00 0.00 C ATOM 363 O TYR B 25 -11.583 0.411 0.480 1.00 0.00 O ATOM 364 CB TYR B 25 -8.678 0.394 -1.396 1.00 0.00 C ATOM 365 CG TYR B 25 -9.286 -0.162 -2.676 1.00 0.00 C ATOM 366 CD1 TYR B 25 -9.416 0.671 -3.803 1.00 0.00 C ATOM 367 CD2 TYR B 25 -9.686 -1.511 -2.770 1.00 0.00 C ATOM 368 CE1 TYR B 25 -9.988 0.189 -4.995 1.00 0.00 C ATOM 369 CE2 TYR B 25 -10.268 -2.002 -3.956 1.00 0.00 C ATOM 370 CZ TYR B 25 -10.453 -1.143 -5.067 1.00 0.00 C ATOM 371 OH TYR B 25 -11.092 -1.571 -6.189 1.00 0.00 O ATOM 0 H TYR B 25 -7.789 2.209 -0.005 1.00 0.00 H new ATOM 0 HA TYR B 25 -10.308 1.750 -1.245 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -7.782 0.958 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -8.358 -0.443 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -9.072 1.694 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -9.545 -2.172 -1.928 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -10.071 0.837 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -10.574 -3.036 -4.018 1.00 0.00 H new ATOM 0 HH TYR B 25 -11.348 -2.511 -6.081 1.00 0.00 H new ATOM 381 N LEU B 26 -9.708 0.133 1.621 1.00 0.00 N ATOM 382 CA LEU B 26 -10.338 -0.607 2.682 1.00 0.00 C ATOM 383 C LEU B 26 -11.256 0.269 3.548 1.00 0.00 C ATOM 384 O LEU B 26 -12.118 -0.275 4.237 1.00 0.00 O ATOM 385 CB LEU B 26 -9.188 -1.320 3.430 1.00 0.00 C ATOM 386 CG LEU B 26 -9.449 -1.693 4.885 1.00 0.00 C ATOM 387 CD1 LEU B 26 -10.438 -2.863 5.001 1.00 0.00 C ATOM 388 CD2 LEU B 26 -8.153 -2.087 5.598 1.00 0.00 C ATOM 0 H LEU B 26 -8.720 0.326 1.784 1.00 0.00 H new ATOM 0 HA LEU B 26 -11.039 -1.355 2.310 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.939 -2.230 2.884 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.309 -0.677 3.395 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.876 -0.808 5.357 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.599 -3.100 6.053 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -11.387 -2.584 4.542 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.031 -3.736 4.490 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.372 -2.347 6.633 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -7.707 -2.945 5.095 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -7.456 -1.250 5.574 1.00 0.00 H new ATOM 400 N ASN B 27 -11.312 1.583 3.324 1.00 0.00 N ATOM 401 CA ASN B 27 -12.175 2.502 4.068 1.00 0.00 C ATOM 402 C ASN B 27 -13.309 3.083 3.223 1.00 0.00 C ATOM 403 O ASN B 27 -14.351 3.440 3.774 1.00 0.00 O ATOM 404 CB ASN B 27 -11.330 3.647 4.621 1.00 0.00 C ATOM 405 CG ASN B 27 -12.106 4.469 5.645 1.00 0.00 C ATOM 406 OD1 ASN B 27 -12.807 3.930 6.498 1.00 0.00 O ATOM 407 ND2 ASN B 27 -12.069 5.787 5.549 1.00 0.00 N ATOM 0 H ASN B 27 -10.750 2.046 2.609 1.00 0.00 H new ATOM 0 HA ASN B 27 -12.636 1.925 4.870 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -10.428 3.245 5.083 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -11.009 4.292 3.803 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -12.624 6.360 6.185 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -11.486 6.230 4.839 1.00 0.00 H new ATOM 414 N VAL B 28 -13.192 2.990 1.899 1.00 0.00 N ATOM 415 CA VAL B 28 -14.168 3.503 0.939 1.00 0.00 C ATOM 416 C VAL B 28 -14.763 2.439 0.000 1.00 0.00 C ATOM 417 O VAL B 28 -15.917 2.587 -0.404 1.00 0.00 O ATOM 418 CB VAL B 28 -13.517 4.678 0.161 1.00 0.00 C ATOM 419 CG1 VAL B 28 -14.495 5.376 -0.798 1.00 0.00 C ATOM 420 CG2 VAL B 28 -12.959 5.757 1.110 1.00 0.00 C ATOM 0 H VAL B 28 -12.392 2.542 1.452 1.00 0.00 H new ATOM 0 HA VAL B 28 -15.033 3.856 1.501 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.712 4.217 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -13.982 6.188 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -14.862 4.657 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -15.335 5.778 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.512 6.561 0.525 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.768 6.159 1.720 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.201 5.316 1.757 1.00 0.00 H new ATOM 430 N VAL B 29 -14.075 1.343 -0.324 1.00 0.00 N ATOM 431 CA VAL B 29 -14.596 0.321 -1.231 1.00 0.00 C ATOM 432 C VAL B 29 -15.559 -0.642 -0.548 1.00 0.00 C ATOM 433 O VAL B 29 -16.717 -0.761 -0.957 1.00 0.00 O ATOM 434 CB VAL B 29 -13.421 -0.351 -1.973 1.00 0.00 C ATOM 435 CG1 VAL B 29 -13.861 -1.546 -2.836 1.00 0.00 C ATOM 436 CG2 VAL B 29 -12.821 0.708 -2.900 1.00 0.00 C ATOM 0 H VAL B 29 -13.142 1.140 0.035 1.00 0.00 H new ATOM 0 HA VAL B 29 -15.221 0.795 -1.988 1.00 0.00 H new ATOM 0 HB VAL B 29 -12.715 -0.729 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.991 -1.976 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -14.327 -2.300 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -14.577 -1.209 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -11.983 0.278 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -13.580 1.047 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.472 1.554 -2.308 1.00 0.00 H new ATOM 446 N THR B 30 -15.033 -1.466 0.345 1.00 0.00 N ATOM 447 CA THR B 30 -15.747 -2.469 1.111 1.00 0.00 C ATOM 448 C THR B 30 -16.811 -1.825 2.007 1.00 0.00 C ATOM 449 O THR B 30 -17.921 -2.351 2.098 1.00 0.00 O ATOM 450 CB THR B 30 -14.725 -3.385 1.806 1.00 0.00 C ATOM 451 OG1 THR B 30 -13.574 -2.706 2.282 1.00 0.00 O ATOM 452 CG2 THR B 30 -14.193 -4.414 0.802 1.00 0.00 C ATOM 0 H THR B 30 -14.037 -1.449 0.565 1.00 0.00 H new ATOM 0 HA THR B 30 -16.334 -3.124 0.467 1.00 0.00 H new ATOM 0 HB THR B 30 -15.263 -3.824 2.646 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.971 -3.347 2.712 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.469 -5.063 1.295 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.020 -5.015 0.424 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.711 -3.897 -0.028 1.00 0.00 H new ATOM 460 N ARG B 31 -16.576 -0.586 2.465 1.00 0.00 N ATOM 461 CA ARG B 31 -17.501 0.189 3.292 1.00 0.00 C ATOM 462 C ARG B 31 -18.775 0.522 2.516 1.00 0.00 C ATOM 463 O ARG B 31 -19.792 0.890 3.097 1.00 0.00 O ATOM 464 CB ARG B 31 -16.757 1.438 3.797 1.00 0.00 C ATOM 465 CG ARG B 31 -17.252 2.066 5.109 1.00 0.00 C ATOM 466 CD ARG B 31 -18.560 2.857 5.013 1.00 0.00 C ATOM 467 NE ARG B 31 -18.669 3.835 6.106 1.00 0.00 N ATOM 468 CZ ARG B 31 -19.728 4.606 6.369 1.00 0.00 C ATOM 469 NH1 ARG B 31 -20.830 4.525 5.636 1.00 0.00 N ATOM 470 NH2 ARG B 31 -19.659 5.490 7.358 1.00 0.00 N ATOM 0 H ARG B 31 -15.711 -0.085 2.262 1.00 0.00 H new ATOM 0 HA ARG B 31 -17.828 -0.390 4.155 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -15.706 1.178 3.922 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -16.806 2.199 3.018 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -17.382 1.272 5.844 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -16.475 2.729 5.489 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -18.607 3.372 4.054 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -19.407 2.171 5.049 1.00 0.00 H new ATOM 0 HE ARG B 31 -17.861 3.934 6.720 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -20.878 3.867 4.858 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -21.630 5.121 5.850 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -18.804 5.575 7.907 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -20.461 6.084 7.568 1.00 0.00 H new ATOM 484 N HIS B 32 -18.737 0.365 1.200 1.00 0.00 N ATOM 485 CA HIS B 32 -19.826 0.595 0.272 1.00 0.00 C ATOM 486 C HIS B 32 -20.376 -0.765 -0.166 1.00 0.00 C ATOM 487 O HIS B 32 -20.606 -1.007 -1.353 1.00 0.00 O ATOM 488 CB HIS B 32 -19.368 1.546 -0.852 1.00 0.00 C ATOM 489 CG HIS B 32 -20.131 2.840 -0.797 1.00 0.00 C ATOM 490 ND1 HIS B 32 -21.274 3.128 -1.507 1.00 0.00 N ATOM 491 CD2 HIS B 32 -19.938 3.841 0.115 1.00 0.00 C ATOM 492 CE1 HIS B 32 -21.753 4.295 -1.053 1.00 0.00 C ATOM 493 NE2 HIS B 32 -21.000 4.744 -0.031 1.00 0.00 N ATOM 0 H HIS B 32 -17.889 0.054 0.726 1.00 0.00 H new ATOM 0 HA HIS B 32 -20.666 1.119 0.728 1.00 0.00 H new ATOM 0 HB2 HIS B 32 -18.300 1.743 -0.756 1.00 0.00 H new ATOM 0 HB3 HIS B 32 -19.518 1.070 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS B 32 -19.120 3.921 0.816 1.00 0.00 H new ATOM 0 HE1 HIS B 32 -22.619 4.803 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS B 32 -21.170 5.580 0.529 1.00 0.00 H new ATOM 501 N ARG B 33 -20.668 -1.616 0.835 1.00 0.00 N ATOM 502 CA ARG B 33 -21.202 -2.977 0.737 1.00 0.00 C ATOM 503 C ARG B 33 -20.531 -3.773 -0.379 1.00 0.00 C ATOM 504 O ARG B 33 -21.190 -4.226 -1.320 1.00 0.00 O ATOM 505 CB ARG B 33 -22.742 -2.971 0.676 1.00 0.00 C ATOM 506 CG ARG B 33 -23.306 -2.169 -0.509 1.00 0.00 C ATOM 507 CD ARG B 33 -24.752 -2.541 -0.784 1.00 0.00 C ATOM 508 NE ARG B 33 -25.170 -2.024 -2.088 1.00 0.00 N ATOM 509 CZ ARG B 33 -26.415 -1.996 -2.555 1.00 0.00 C ATOM 510 NH1 ARG B 33 -27.421 -2.448 -1.812 1.00 0.00 N ATOM 511 NH2 ARG B 33 -26.627 -1.480 -3.753 1.00 0.00 N ATOM 0 H ARG B 33 -20.523 -1.343 1.807 1.00 0.00 H new ATOM 0 HA ARG B 33 -20.948 -3.512 1.652 1.00 0.00 H new ATOM 0 HB2 ARG B 33 -23.099 -3.999 0.612 1.00 0.00 H new ATOM 0 HB3 ARG B 33 -23.133 -2.555 1.605 1.00 0.00 H new ATOM 0 HG2 ARG B 33 -23.236 -1.102 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG B 33 -22.704 -2.356 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG B 33 -24.867 -3.625 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG B 33 -25.394 -2.136 -0.002 1.00 0.00 H new ATOM 0 HE ARG B 33 -24.439 -1.651 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG B 33 -27.240 -2.818 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG B 33 -28.374 -2.424 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG B 33 -25.845 -1.115 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG B 33 -27.573 -1.447 -4.134 1.00 0.00 H new ATOM 525 N TYR B 34 -19.225 -3.980 -0.248 1.00 0.00 N ATOM 526 CA TYR B 34 -18.443 -4.701 -1.235 1.00 0.00 C ATOM 527 C TYR B 34 -17.584 -5.758 -0.563 1.00 0.00 C ATOM 528 O TYR B 34 -17.381 -5.745 0.647 1.00 0.00 O ATOM 529 CB TYR B 34 -17.599 -3.678 -2.001 1.00 0.00 C ATOM 530 CG TYR B 34 -17.428 -3.980 -3.463 1.00 0.00 C ATOM 531 CD1 TYR B 34 -18.513 -3.767 -4.331 1.00 0.00 C ATOM 532 CD2 TYR B 34 -16.183 -4.399 -3.964 1.00 0.00 C ATOM 533 CE1 TYR B 34 -18.348 -3.947 -5.710 1.00 0.00 C ATOM 534 CE2 TYR B 34 -16.020 -4.604 -5.341 1.00 0.00 C ATOM 535 CZ TYR B 34 -17.105 -4.375 -6.217 1.00 0.00 C ATOM 536 OH TYR B 34 -16.952 -4.522 -7.556 1.00 0.00 O ATOM 0 H TYR B 34 -18.681 -3.650 0.549 1.00 0.00 H new ATOM 0 HA TYR B 34 -19.092 -5.228 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -18.060 -2.696 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -16.614 -3.619 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -19.472 -3.465 -3.935 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -15.355 -4.562 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -19.171 -3.758 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -15.069 -4.936 -5.731 1.00 0.00 H new ATOM 0 HH TYR B 34 -16.039 -4.822 -7.750 1.00 0.00 H new HETATM 546 N NH2 B 35 -16.928 -6.594 -1.348 1.00 0.00 N TER 549 NH2 B 35 HETATM 550 N EAB A 10 16.703 -5.119 7.826 1.00 0.00 N HETATM 551 CA EAB A 10 18.047 -5.046 7.254 1.00 0.00 C HETATM 552 CB EAB A 10 18.232 -3.758 6.484 1.00 0.00 C HETATM 553 CG2 EAB A 10 19.288 -2.870 6.764 1.00 0.00 C HETATM 554 CD2 EAB A 10 19.420 -1.677 6.024 1.00 0.00 C HETATM 555 CE EAB A 10 18.480 -1.352 5.028 1.00 0.00 C HETATM 556 CD1 EAB A 10 17.431 -2.247 4.757 1.00 0.00 C HETATM 557 CG1 EAB A 10 17.325 -3.447 5.465 1.00 0.00 C HETATM 558 NG EAB A 10 16.478 -2.033 3.782 1.00 0.00 N HETATM 559 NI EAB A 10 16.289 -1.295 2.999 1.00 0.00 N HETATM 560 CI EAB A 10 15.240 -1.280 2.090 1.00 0.00 C HETATM 561 CJ2 EAB A 10 14.177 -2.202 2.214 1.00 0.00 C HETATM 562 CK2 EAB A 10 13.133 -2.204 1.278 1.00 0.00 C HETATM 563 CL EAB A 10 13.157 -1.297 0.209 1.00 0.00 C HETATM 564 CK1 EAB A 10 14.231 -0.402 0.057 1.00 0.00 C HETATM 565 CJ1 EAB A 10 15.263 -0.376 1.012 1.00 0.00 C HETATM 566 CM EAB A 10 14.323 0.452 -1.189 1.00 0.00 C HETATM 567 C EAB A 10 13.487 1.733 -1.199 1.00 0.00 C HETATM 568 O EAB A 10 13.490 2.442 -0.193 1.00 0.00 O HETATM 0 HM3 EAB A 10 14.026 -0.157 -2.043 1.00 0.00 H new HETATM 0 HM2 EAB A 10 15.368 0.725 -1.340 1.00 0.00 H new HETATM 0 HL EAB A 10 12.337 -1.286 -0.509 1.00 0.00 H new HETATM 0 HK2 EAB A 10 12.307 -2.907 1.381 1.00 0.00 H new HETATM 0 HJ2 EAB A 10 14.168 -2.914 3.039 1.00 0.00 H new HETATM 0 HJ1 EAB A 10 16.078 0.342 0.917 1.00 0.00 H new HETATM 0 HG2 EAB A 10 20.003 -3.105 7.552 1.00 0.00 H new HETATM 0 HG1 EAB A 10 16.527 -4.148 5.221 1.00 0.00 H new HETATM 0 HE EAB A 10 18.565 -0.417 4.474 1.00 0.00 H new HETATM 0 HD2 EAB A 10 20.253 -1.004 6.224 1.00 0.00 H new HETATM 0 HA3 EAB A 10 18.790 -5.110 8.049 1.00 0.00 H new HETATM 0 HA2 EAB A 10 18.213 -5.897 6.594 1.00 0.00 H new