USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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 9 ASN : amide:sc= 0.467 K(o=1.7,f=-3.3) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.728 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.986 (180deg=0.67) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0.353 (180deg=-0.49) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 17 THR OG1 : rot 117:sc= 0.656 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 109:sc= 1.3 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0.00597 (180deg=-0.0224) USER MOD Single : A 33 GLN : amide:sc= 0.825 K(o=0.83,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 36 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.35) USER MOD Single : A 38 ASN : amide:sc=-0.00309 K(o=-0.0031,f=-1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 141:sc= 1.15 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.729 3.149 5.743 1.00 0.00 N ATOM 2 CA MET A 1 -15.301 2.784 4.386 1.00 0.00 C ATOM 3 C MET A 1 -14.291 1.640 4.453 1.00 0.00 C ATOM 4 O MET A 1 -13.653 1.433 5.489 1.00 0.00 O ATOM 5 CB MET A 1 -14.746 4.011 3.647 1.00 0.00 C ATOM 6 CG MET A 1 -14.990 3.950 2.138 1.00 0.00 C ATOM 7 SD MET A 1 -16.737 4.186 1.712 1.00 0.00 S ATOM 8 CE MET A 1 -16.651 4.424 -0.079 1.00 0.00 C ATOM 0 H1 MET A 1 -16.640 3.649 5.697 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.835 2.288 6.317 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.015 3.769 6.177 1.00 0.00 H new ATOM 0 HA MET A 1 -16.160 2.433 3.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.208 4.912 4.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.675 4.090 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.392 4.716 1.644 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.652 2.986 1.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.660 4.456 -0.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.140 5.362 -0.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.101 3.598 -0.530 1.00 0.00 H new ATOM 18 N GLY A 2 -14.124 0.887 3.361 1.00 0.00 N ATOM 19 CA GLY A 2 -13.191 -0.230 3.287 1.00 0.00 C ATOM 20 C GLY A 2 -11.764 0.231 3.594 1.00 0.00 C ATOM 21 O GLY A 2 -11.278 1.187 2.982 1.00 0.00 O ATOM 0 H GLY A 2 -14.642 1.042 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.488 -1.005 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.228 -0.675 2.293 1.00 0.00 H new ATOM 25 N THR A 3 -11.103 -0.418 4.552 1.00 0.00 N ATOM 26 CA THR A 3 -9.740 -0.107 4.959 1.00 0.00 C ATOM 27 C THR A 3 -8.798 -1.040 4.203 1.00 0.00 C ATOM 28 O THR A 3 -8.850 -2.253 4.416 1.00 0.00 O ATOM 29 CB THR A 3 -9.610 -0.297 6.485 1.00 0.00 C ATOM 30 OG1 THR A 3 -10.393 0.650 7.185 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.166 -0.148 6.981 1.00 0.00 C ATOM 0 H THR A 3 -11.513 -1.191 5.076 1.00 0.00 H new ATOM 0 HA THR A 3 -9.484 0.927 4.726 1.00 0.00 H new ATOM 0 HB THR A 3 -9.956 -1.312 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.294 0.507 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.136 -0.292 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.536 -0.895 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.799 0.849 6.737 1.00 0.00 H new ATOM 39 N TYR A 4 -7.908 -0.492 3.373 1.00 0.00 N ATOM 40 CA TYR A 4 -6.952 -1.292 2.620 1.00 0.00 C ATOM 41 C TYR A 4 -5.685 -1.318 3.470 1.00 0.00 C ATOM 42 O TYR A 4 -5.167 -0.262 3.863 1.00 0.00 O ATOM 43 CB TYR A 4 -6.656 -0.689 1.235 1.00 0.00 C ATOM 44 CG TYR A 4 -7.656 -1.040 0.147 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.602 -2.302 -0.476 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.620 -0.103 -0.273 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.521 -2.639 -1.486 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.544 -0.436 -1.281 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.507 -1.711 -1.886 1.00 0.00 C ATOM 50 OH TYR A 4 -10.453 -2.090 -2.792 1.00 0.00 O ATOM 0 H TYR A 4 -7.833 0.512 3.208 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.348 -2.290 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.614 0.396 1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.667 -1.019 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.849 -3.016 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.650 0.876 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.472 -3.610 -1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.284 0.286 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.060 -1.340 -2.964 1.00 0.00 H new ATOM 60 N LYS A 5 -5.268 -2.528 3.854 1.00 0.00 N ATOM 61 CA LYS A 5 -4.067 -2.745 4.651 1.00 0.00 C ATOM 62 C LYS A 5 -2.892 -2.533 3.717 1.00 0.00 C ATOM 63 O LYS A 5 -2.848 -3.169 2.666 1.00 0.00 O ATOM 64 CB LYS A 5 -4.008 -4.178 5.196 1.00 0.00 C ATOM 65 CG LYS A 5 -5.051 -4.438 6.282 1.00 0.00 C ATOM 66 CD LYS A 5 -4.979 -5.895 6.742 1.00 0.00 C ATOM 67 CE LYS A 5 -6.049 -6.147 7.804 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.499 -7.552 7.807 1.00 0.00 N ATOM 0 H LYS A 5 -5.762 -3.388 3.616 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.056 -2.065 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.159 -4.881 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.014 -4.368 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.880 -3.773 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.048 -4.218 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.129 -6.563 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.991 -6.111 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.653 -5.890 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.902 -5.493 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.224 -7.683 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.900 -7.790 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.690 -8.175 8.005 1.00 0.00 H new ATOM 82 N LEU A 6 -1.987 -1.639 4.089 1.00 0.00 N ATOM 83 CA LEU A 6 -0.794 -1.309 3.336 1.00 0.00 C ATOM 84 C LEU A 6 0.334 -2.127 3.946 1.00 0.00 C ATOM 85 O LEU A 6 0.603 -1.994 5.143 1.00 0.00 O ATOM 86 CB LEU A 6 -0.549 0.204 3.475 1.00 0.00 C ATOM 87 CG LEU A 6 0.622 0.843 2.699 1.00 0.00 C ATOM 88 CD1 LEU A 6 2.011 0.310 3.051 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.445 0.709 1.190 1.00 0.00 C ATOM 0 H LEU A 6 -2.070 -1.107 4.955 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.875 -1.538 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.463 0.715 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.399 0.418 4.533 1.00 0.00 H new ATOM 0 HG LEU A 6 0.581 1.886 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.761 0.824 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.211 0.485 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.053 -0.760 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.291 1.172 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.394 -0.346 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.477 1.206 0.886 1.00 0.00 H new ATOM 101 N ILE A 7 0.952 -3.000 3.153 1.00 0.00 N ATOM 102 CA ILE A 7 2.072 -3.836 3.561 1.00 0.00 C ATOM 103 C ILE A 7 3.191 -3.375 2.628 1.00 0.00 C ATOM 104 O ILE A 7 3.116 -3.558 1.412 1.00 0.00 O ATOM 105 CB ILE A 7 1.768 -5.351 3.495 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.573 -5.791 4.374 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.013 -6.120 3.972 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.776 -5.678 3.657 1.00 0.00 C ATOM 0 H ILE A 7 0.677 -3.147 2.182 1.00 0.00 H new ATOM 0 HA ILE A 7 2.335 -3.719 4.612 1.00 0.00 H new ATOM 0 HB ILE A 7 1.506 -5.571 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.724 -6.823 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.550 -5.181 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.816 -7.191 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.858 -5.882 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.248 -5.832 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.572 -6.001 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.947 -4.642 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.770 -6.310 2.769 1.00 0.00 H new ATOM 120 N LEU A 8 4.164 -2.665 3.187 1.00 0.00 N ATOM 121 CA LEU A 8 5.307 -2.113 2.486 1.00 0.00 C ATOM 122 C LEU A 8 6.460 -3.106 2.622 1.00 0.00 C ATOM 123 O LEU A 8 6.964 -3.306 3.726 1.00 0.00 O ATOM 124 CB LEU A 8 5.617 -0.738 3.113 1.00 0.00 C ATOM 125 CG LEU A 8 6.416 0.188 2.196 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.523 0.780 1.100 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.022 1.334 3.015 1.00 0.00 C ATOM 0 H LEU A 8 4.174 -2.452 4.184 1.00 0.00 H new ATOM 0 HA LEU A 8 5.125 -1.962 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.679 -0.250 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.173 -0.887 4.038 1.00 0.00 H new ATOM 0 HG LEU A 8 7.207 -0.400 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.116 1.435 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.100 -0.026 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.716 1.353 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.590 1.991 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.223 1.902 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.684 0.925 3.779 1.00 0.00 H new ATOM 139 N ASN A 9 6.891 -3.719 1.522 1.00 0.00 N ATOM 140 CA ASN A 9 7.961 -4.711 1.469 1.00 0.00 C ATOM 141 C ASN A 9 9.084 -4.182 0.574 1.00 0.00 C ATOM 142 O ASN A 9 9.101 -4.444 -0.630 1.00 0.00 O ATOM 143 CB ASN A 9 7.358 -6.042 0.981 1.00 0.00 C ATOM 144 CG ASN A 9 8.330 -7.214 0.987 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.056 -8.222 1.628 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.450 -7.153 0.295 1.00 0.00 N ATOM 0 H ASN A 9 6.487 -3.530 0.605 1.00 0.00 H new ATOM 0 HA ASN A 9 8.403 -4.893 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.503 -6.292 1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.979 -5.905 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.091 -7.946 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.675 -6.313 -0.238 1.00 0.00 H new ATOM 153 N GLY A 10 9.995 -3.403 1.158 1.00 0.00 N ATOM 154 CA GLY A 10 11.128 -2.812 0.459 1.00 0.00 C ATOM 155 C GLY A 10 12.335 -3.743 0.408 1.00 0.00 C ATOM 156 O GLY A 10 12.237 -4.925 0.737 1.00 0.00 O ATOM 0 H GLY A 10 9.962 -3.163 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.829 -2.554 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.411 -1.883 0.954 1.00 0.00 H new ATOM 160 N LYS A 11 13.488 -3.214 -0.021 1.00 0.00 N ATOM 161 CA LYS A 11 14.746 -3.973 -0.120 1.00 0.00 C ATOM 162 C LYS A 11 15.662 -3.770 1.078 1.00 0.00 C ATOM 163 O LYS A 11 16.732 -4.375 1.138 1.00 0.00 O ATOM 164 CB LYS A 11 15.490 -3.673 -1.442 1.00 0.00 C ATOM 165 CG LYS A 11 16.042 -2.237 -1.580 1.00 0.00 C ATOM 166 CD LYS A 11 15.172 -1.365 -2.491 1.00 0.00 C ATOM 167 CE LYS A 11 15.378 0.125 -2.182 1.00 0.00 C ATOM 168 NZ LYS A 11 14.482 0.971 -2.994 1.00 0.00 N ATOM 0 H LYS A 11 13.577 -2.240 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 11 14.460 -5.025 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.319 -4.374 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.811 -3.865 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.105 -1.778 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.056 -2.276 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.419 -1.562 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.122 -1.627 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.193 0.308 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.415 0.399 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.969 1.856 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.221 0.465 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.623 1.189 -2.450 1.00 0.00 H new ATOM 182 N THR A 12 15.336 -2.865 1.996 1.00 0.00 N ATOM 183 CA THR A 12 16.155 -2.595 3.178 1.00 0.00 C ATOM 184 C THR A 12 15.306 -2.332 4.427 1.00 0.00 C ATOM 185 O THR A 12 15.828 -2.375 5.543 1.00 0.00 O ATOM 186 CB THR A 12 17.103 -1.435 2.810 1.00 0.00 C ATOM 187 OG1 THR A 12 17.942 -1.849 1.745 1.00 0.00 O ATOM 188 CG2 THR A 12 18.026 -0.947 3.927 1.00 0.00 C ATOM 0 H THR A 12 14.492 -2.294 1.943 1.00 0.00 H new ATOM 0 HA THR A 12 16.745 -3.469 3.452 1.00 0.00 H new ATOM 0 HB THR A 12 16.439 -0.607 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.548 -1.118 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.646 -0.131 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.427 -0.594 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.664 -1.767 4.256 1.00 0.00 H new ATOM 196 N LEU A 13 14.020 -2.026 4.254 1.00 0.00 N ATOM 197 CA LEU A 13 13.070 -1.730 5.309 1.00 0.00 C ATOM 198 C LEU A 13 11.687 -2.220 4.898 1.00 0.00 C ATOM 199 O LEU A 13 11.447 -2.507 3.719 1.00 0.00 O ATOM 200 CB LEU A 13 13.080 -0.211 5.604 1.00 0.00 C ATOM 201 CG LEU A 13 12.491 0.776 4.560 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.029 0.605 3.133 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.958 0.810 4.549 1.00 0.00 C ATOM 0 H LEU A 13 13.599 -1.977 3.326 1.00 0.00 H new ATOM 0 HA LEU A 13 13.350 -2.248 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.542 -0.057 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.115 0.080 5.781 1.00 0.00 H new ATOM 0 HG LEU A 13 12.851 1.743 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.559 1.338 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.109 0.755 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.802 -0.400 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.615 1.520 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.574 -0.182 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.594 1.116 5.530 1.00 0.00 H new ATOM 215 N LYS A 14 10.772 -2.282 5.865 1.00 0.00 N ATOM 216 CA LYS A 14 9.380 -2.687 5.679 1.00 0.00 C ATOM 217 C LYS A 14 8.478 -1.737 6.462 1.00 0.00 C ATOM 218 O LYS A 14 8.971 -0.945 7.277 1.00 0.00 O ATOM 219 CB LYS A 14 9.142 -4.162 6.046 1.00 0.00 C ATOM 220 CG LYS A 14 9.925 -5.113 5.129 1.00 0.00 C ATOM 221 CD LYS A 14 9.254 -6.484 5.016 1.00 0.00 C ATOM 222 CE LYS A 14 10.191 -7.420 4.253 1.00 0.00 C ATOM 223 NZ LYS A 14 9.560 -8.710 3.918 1.00 0.00 N ATOM 0 H LYS A 14 10.988 -2.043 6.833 1.00 0.00 H new ATOM 0 HA LYS A 14 9.131 -2.616 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.437 -4.331 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.077 -4.386 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.013 -4.670 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.937 -5.236 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.042 -6.885 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.300 -6.397 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.518 -6.931 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.083 -7.602 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.298 -9.420 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.967 -9.023 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.970 -8.598 3.069 1.00 0.00 H new ATOM 237 N GLY A 15 7.179 -1.755 6.205 1.00 0.00 N ATOM 238 CA GLY A 15 6.215 -0.898 6.872 1.00 0.00 C ATOM 239 C GLY A 15 4.842 -1.547 6.840 1.00 0.00 C ATOM 240 O GLY A 15 4.565 -2.373 5.969 1.00 0.00 O ATOM 0 H GLY A 15 6.759 -2.377 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.521 -0.724 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.179 0.075 6.382 1.00 0.00 H new ATOM 244 N GLU A 16 3.965 -1.172 7.766 1.00 0.00 N ATOM 245 CA GLU A 16 2.616 -1.710 7.836 1.00 0.00 C ATOM 246 C GLU A 16 1.719 -0.593 8.366 1.00 0.00 C ATOM 247 O GLU A 16 1.869 -0.175 9.519 1.00 0.00 O ATOM 248 CB GLU A 16 2.628 -2.944 8.757 1.00 0.00 C ATOM 249 CG GLU A 16 1.261 -3.639 8.800 1.00 0.00 C ATOM 250 CD GLU A 16 1.209 -4.708 9.891 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.221 -4.332 11.088 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.087 -5.910 9.564 1.00 0.00 O ATOM 0 H GLU A 16 4.173 -0.484 8.490 1.00 0.00 H new ATOM 0 HA GLU A 16 2.239 -2.034 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.383 -3.649 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.914 -2.642 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.481 -2.899 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.053 -4.095 7.832 1.00 0.00 H new ATOM 259 N THR A 17 0.737 -0.162 7.578 1.00 0.00 N ATOM 260 CA THR A 17 -0.199 0.908 7.922 1.00 0.00 C ATOM 261 C THR A 17 -1.611 0.559 7.425 1.00 0.00 C ATOM 262 O THR A 17 -1.815 -0.471 6.764 1.00 0.00 O ATOM 263 CB THR A 17 0.337 2.245 7.353 1.00 0.00 C ATOM 264 OG1 THR A 17 0.733 2.114 6.002 1.00 0.00 O ATOM 265 CG2 THR A 17 1.553 2.766 8.124 1.00 0.00 C ATOM 0 H THR A 17 0.565 -0.559 6.654 1.00 0.00 H new ATOM 0 HA THR A 17 -0.278 1.019 9.003 1.00 0.00 H new ATOM 0 HB THR A 17 -0.492 2.946 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.173 2.689 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.888 3.705 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.280 2.931 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.358 2.033 8.072 1.00 0.00 H new ATOM 273 N THR A 18 -2.608 1.393 7.735 1.00 0.00 N ATOM 274 CA THR A 18 -3.988 1.191 7.309 1.00 0.00 C ATOM 275 C THR A 18 -4.639 2.546 7.035 1.00 0.00 C ATOM 276 O THR A 18 -4.420 3.510 7.771 1.00 0.00 O ATOM 277 CB THR A 18 -4.766 0.486 8.444 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.371 0.942 9.729 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.584 -1.027 8.445 1.00 0.00 C ATOM 0 H THR A 18 -2.474 2.235 8.295 1.00 0.00 H new ATOM 0 HA THR A 18 -4.006 0.583 6.405 1.00 0.00 H new ATOM 0 HB THR A 18 -5.808 0.735 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.888 0.472 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.155 -1.462 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.938 -1.437 7.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.528 -1.266 8.571 1.00 0.00 H new ATOM 287 N THR A 19 -5.368 2.671 5.929 1.00 0.00 N ATOM 288 CA THR A 19 -6.103 3.866 5.532 1.00 0.00 C ATOM 289 C THR A 19 -7.326 3.417 4.725 1.00 0.00 C ATOM 290 O THR A 19 -7.219 2.448 3.960 1.00 0.00 O ATOM 291 CB THR A 19 -5.182 4.889 4.848 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.265 5.390 5.802 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.918 6.101 4.278 1.00 0.00 C ATOM 0 H THR A 19 -5.466 1.909 5.258 1.00 0.00 H new ATOM 0 HA THR A 19 -6.479 4.417 6.394 1.00 0.00 H new ATOM 0 HB THR A 19 -4.705 4.358 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.370 5.039 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.200 6.776 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.642 5.770 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.438 6.622 5.082 1.00 0.00 H new ATOM 301 N GLU A 20 -8.491 4.027 4.925 1.00 0.00 N ATOM 302 CA GLU A 20 -9.698 3.700 4.175 1.00 0.00 C ATOM 303 C GLU A 20 -9.913 4.801 3.135 1.00 0.00 C ATOM 304 O GLU A 20 -9.523 5.949 3.348 1.00 0.00 O ATOM 305 CB GLU A 20 -10.901 3.472 5.100 1.00 0.00 C ATOM 306 CG GLU A 20 -11.236 4.613 6.061 1.00 0.00 C ATOM 307 CD GLU A 20 -12.470 4.282 6.903 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.382 3.483 7.869 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.553 4.829 6.591 1.00 0.00 O ATOM 0 H GLU A 20 -8.624 4.766 5.616 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.582 2.750 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.777 3.276 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.717 2.572 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.385 4.802 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.413 5.528 5.496 1.00 0.00 H new ATOM 316 N ALA A 21 -10.477 4.440 1.984 1.00 0.00 N ATOM 317 CA ALA A 21 -10.763 5.319 0.855 1.00 0.00 C ATOM 318 C ALA A 21 -11.915 4.730 0.042 1.00 0.00 C ATOM 319 O ALA A 21 -12.401 3.656 0.402 1.00 0.00 O ATOM 320 CB ALA A 21 -9.507 5.454 -0.010 1.00 0.00 C ATOM 0 H ALA A 21 -10.761 3.477 1.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.052 6.308 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.716 6.110 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.698 5.877 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.211 4.472 -0.378 1.00 0.00 H new ATOM 326 N VAL A 22 -12.352 5.394 -1.034 1.00 0.00 N ATOM 327 CA VAL A 22 -13.448 4.864 -1.838 1.00 0.00 C ATOM 328 C VAL A 22 -13.050 3.559 -2.538 1.00 0.00 C ATOM 329 O VAL A 22 -13.816 2.601 -2.463 1.00 0.00 O ATOM 330 CB VAL A 22 -14.006 5.945 -2.794 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.023 6.378 -3.890 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.319 5.498 -3.454 1.00 0.00 C ATOM 0 H VAL A 22 -11.970 6.282 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.271 4.597 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.185 6.808 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.489 7.137 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.124 6.789 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.757 5.516 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.679 6.284 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.146 4.589 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.066 5.304 -2.684 1.00 0.00 H new ATOM 342 N ASP A 23 -11.857 3.469 -3.136 1.00 0.00 N ATOM 343 CA ASP A 23 -11.390 2.272 -3.838 1.00 0.00 C ATOM 344 C ASP A 23 -9.863 2.193 -3.784 1.00 0.00 C ATOM 345 O ASP A 23 -9.203 3.097 -3.254 1.00 0.00 O ATOM 346 CB ASP A 23 -11.892 2.239 -5.295 1.00 0.00 C ATOM 347 CG ASP A 23 -13.393 2.009 -5.421 1.00 0.00 C ATOM 348 OD1 ASP A 23 -13.864 0.931 -4.981 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.072 2.902 -5.968 1.00 0.00 O ATOM 0 H ASP A 23 -11.183 4.234 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.804 1.399 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.636 3.181 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.366 1.450 -5.833 1.00 0.00 H new ATOM 354 N ALA A 24 -9.310 1.102 -4.329 1.00 0.00 N ATOM 355 CA ALA A 24 -7.885 0.802 -4.374 1.00 0.00 C ATOM 356 C ALA A 24 -7.044 1.949 -4.936 1.00 0.00 C ATOM 357 O ALA A 24 -6.036 2.281 -4.321 1.00 0.00 O ATOM 358 CB ALA A 24 -7.652 -0.495 -5.162 1.00 0.00 C ATOM 0 H ALA A 24 -9.875 0.375 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.550 0.667 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.585 -0.715 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.178 -1.316 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.027 -0.376 -6.178 1.00 0.00 H new ATOM 364 N ALA A 25 -7.455 2.594 -6.032 1.00 0.00 N ATOM 365 CA ALA A 25 -6.704 3.691 -6.636 1.00 0.00 C ATOM 366 C ALA A 25 -6.411 4.801 -5.630 1.00 0.00 C ATOM 367 O ALA A 25 -5.285 5.290 -5.558 1.00 0.00 O ATOM 368 CB ALA A 25 -7.469 4.271 -7.823 1.00 0.00 C ATOM 0 H ALA A 25 -8.319 2.367 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.754 3.280 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.895 5.088 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.624 3.493 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.435 4.647 -7.485 1.00 0.00 H new ATOM 374 N THR A 26 -7.407 5.227 -4.855 1.00 0.00 N ATOM 375 CA THR A 26 -7.180 6.280 -3.878 1.00 0.00 C ATOM 376 C THR A 26 -6.212 5.798 -2.791 1.00 0.00 C ATOM 377 O THR A 26 -5.405 6.592 -2.308 1.00 0.00 O ATOM 378 CB THR A 26 -8.524 6.785 -3.350 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.302 7.281 -4.430 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.342 7.939 -2.362 1.00 0.00 C ATOM 0 H THR A 26 -8.360 4.865 -4.885 1.00 0.00 H new ATOM 0 HA THR A 26 -6.692 7.138 -4.341 1.00 0.00 H new ATOM 0 HB THR A 26 -9.011 5.947 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.164 7.603 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.318 8.272 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.744 7.602 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.834 8.766 -2.858 1.00 0.00 H new ATOM 388 N ALA A 27 -6.270 4.523 -2.395 1.00 0.00 N ATOM 389 CA ALA A 27 -5.364 3.993 -1.385 1.00 0.00 C ATOM 390 C ALA A 27 -3.929 4.003 -1.935 1.00 0.00 C ATOM 391 O ALA A 27 -3.013 4.539 -1.310 1.00 0.00 O ATOM 392 CB ALA A 27 -5.804 2.586 -0.958 1.00 0.00 C ATOM 0 H ALA A 27 -6.936 3.843 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.393 4.622 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.117 2.203 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.811 2.630 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.797 1.924 -1.824 1.00 0.00 H new ATOM 398 N GLU A 28 -3.773 3.442 -3.134 1.00 0.00 N ATOM 399 CA GLU A 28 -2.549 3.304 -3.909 1.00 0.00 C ATOM 400 C GLU A 28 -1.855 4.652 -4.084 1.00 0.00 C ATOM 401 O GLU A 28 -0.676 4.801 -3.757 1.00 0.00 O ATOM 402 CB GLU A 28 -2.948 2.713 -5.278 1.00 0.00 C ATOM 403 CG GLU A 28 -1.818 2.549 -6.303 1.00 0.00 C ATOM 404 CD GLU A 28 -2.388 2.167 -7.673 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.664 0.964 -7.901 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.604 3.074 -8.514 1.00 0.00 O ATOM 0 H GLU A 28 -4.571 3.039 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.843 2.652 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.402 1.736 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.716 3.351 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.254 3.478 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.121 1.782 -5.966 1.00 0.00 H new ATOM 413 N LYS A 29 -2.581 5.646 -4.597 1.00 0.00 N ATOM 414 CA LYS A 29 -2.026 6.965 -4.838 1.00 0.00 C ATOM 415 C LYS A 29 -1.619 7.672 -3.559 1.00 0.00 C ATOM 416 O LYS A 29 -0.475 8.112 -3.472 1.00 0.00 O ATOM 417 CB LYS A 29 -3.001 7.827 -5.642 1.00 0.00 C ATOM 418 CG LYS A 29 -3.145 7.319 -7.084 1.00 0.00 C ATOM 419 CD LYS A 29 -3.740 8.385 -8.004 1.00 0.00 C ATOM 420 CE LYS A 29 -2.679 9.451 -8.297 1.00 0.00 C ATOM 421 NZ LYS A 29 -3.166 10.491 -9.216 1.00 0.00 N ATOM 0 H LYS A 29 -3.564 5.554 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.118 6.819 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.976 7.825 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.652 8.860 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.168 7.016 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.780 6.433 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.081 7.930 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.611 8.842 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.366 9.915 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.798 8.974 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.412 11.188 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.440 10.055 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.990 10.966 -8.797 1.00 0.00 H new ATOM 435 N VAL A 30 -2.526 7.787 -2.590 1.00 0.00 N ATOM 436 CA VAL A 30 -2.247 8.466 -1.334 1.00 0.00 C ATOM 437 C VAL A 30 -1.040 7.840 -0.638 1.00 0.00 C ATOM 438 O VAL A 30 -0.094 8.570 -0.321 1.00 0.00 O ATOM 439 CB VAL A 30 -3.521 8.497 -0.468 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.254 8.944 0.971 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.566 9.444 -1.088 1.00 0.00 C ATOM 0 H VAL A 30 -3.472 7.412 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.970 9.504 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.894 7.473 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.189 8.946 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.551 8.256 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.832 9.949 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.461 9.456 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.153 10.451 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.824 9.096 -2.088 1.00 0.00 H new ATOM 451 N PHE A 31 -1.029 6.520 -0.410 1.00 0.00 N ATOM 452 CA PHE A 31 0.106 5.901 0.264 1.00 0.00 C ATOM 453 C PHE A 31 1.394 5.939 -0.558 1.00 0.00 C ATOM 454 O PHE A 31 2.445 5.691 0.032 1.00 0.00 O ATOM 455 CB PHE A 31 -0.206 4.481 0.774 1.00 0.00 C ATOM 456 CG PHE A 31 -0.767 4.383 2.188 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.225 5.144 3.247 1.00 0.00 C ATOM 458 CD2 PHE A 31 -1.760 3.430 2.476 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.676 4.965 4.565 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.198 3.237 3.798 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.658 4.003 4.842 1.00 0.00 C ATOM 0 H PHE A 31 -1.776 5.879 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 31 0.287 6.521 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.918 4.020 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.709 3.891 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.545 5.872 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.189 2.843 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.267 5.567 5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.954 2.495 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.998 3.852 5.856 1.00 0.00 H new ATOM 471 N LYS A 32 1.373 6.251 -1.865 1.00 0.00 N ATOM 472 CA LYS A 32 2.608 6.318 -2.653 1.00 0.00 C ATOM 473 C LYS A 32 3.555 7.341 -2.026 1.00 0.00 C ATOM 474 O LYS A 32 4.765 7.147 -2.057 1.00 0.00 O ATOM 475 CB LYS A 32 2.322 6.642 -4.129 1.00 0.00 C ATOM 476 CG LYS A 32 3.562 6.394 -5.003 1.00 0.00 C ATOM 477 CD LYS A 32 3.232 6.338 -6.505 1.00 0.00 C ATOM 478 CE LYS A 32 4.443 6.514 -7.436 1.00 0.00 C ATOM 479 NZ LYS A 32 5.640 5.757 -7.017 1.00 0.00 N ATOM 0 H LYS A 32 0.523 6.458 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 32 3.087 5.339 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.494 6.028 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.011 7.682 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.290 7.185 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.030 5.456 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.759 5.381 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.501 7.114 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.163 6.202 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.696 7.573 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.372 5.830 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.004 6.149 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.388 4.758 -6.878 1.00 0.00 H new ATOM 493 N GLN A 33 2.995 8.400 -1.428 1.00 0.00 N ATOM 494 CA GLN A 33 3.754 9.446 -0.766 1.00 0.00 C ATOM 495 C GLN A 33 4.590 8.807 0.348 1.00 0.00 C ATOM 496 O GLN A 33 5.810 8.891 0.322 1.00 0.00 O ATOM 497 CB GLN A 33 2.792 10.482 -0.162 1.00 0.00 C ATOM 498 CG GLN A 33 1.978 11.290 -1.183 1.00 0.00 C ATOM 499 CD GLN A 33 0.886 12.119 -0.502 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.966 13.344 -0.396 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.159 11.469 -0.015 1.00 0.00 N ATOM 0 H GLN A 33 1.986 8.548 -1.395 1.00 0.00 H new ATOM 0 HA GLN A 33 4.405 9.946 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.100 9.967 0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.368 11.176 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.643 11.950 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.524 10.612 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.217 10.455 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.906 11.982 0.452 1.00 0.00 H new ATOM 510 N TYR A 34 3.933 8.128 1.296 1.00 0.00 N ATOM 511 CA TYR A 34 4.568 7.462 2.428 1.00 0.00 C ATOM 512 C TYR A 34 5.548 6.399 1.954 1.00 0.00 C ATOM 513 O TYR A 34 6.671 6.357 2.442 1.00 0.00 O ATOM 514 CB TYR A 34 3.487 6.869 3.348 1.00 0.00 C ATOM 515 CG TYR A 34 3.887 5.653 4.168 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.733 5.781 5.286 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.410 4.380 3.800 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.107 4.648 6.036 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.783 3.249 4.543 1.00 0.00 C ATOM 520 CZ TYR A 34 4.633 3.371 5.660 1.00 0.00 C ATOM 521 OH TYR A 34 5.019 2.241 6.314 1.00 0.00 O ATOM 0 H TYR A 34 2.918 8.027 1.292 1.00 0.00 H new ATOM 0 HA TYR A 34 5.143 8.192 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.157 7.649 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.627 6.599 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.099 6.756 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.757 4.274 2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.753 4.755 6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.415 2.275 4.255 1.00 0.00 H new ATOM 0 HH TYR A 34 4.584 1.463 5.907 1.00 0.00 H new ATOM 531 N ALA A 35 5.148 5.555 1.005 1.00 0.00 N ATOM 532 CA ALA A 35 5.992 4.495 0.484 1.00 0.00 C ATOM 533 C ALA A 35 7.307 5.052 -0.055 1.00 0.00 C ATOM 534 O ALA A 35 8.379 4.657 0.405 1.00 0.00 O ATOM 535 CB ALA A 35 5.221 3.768 -0.612 1.00 0.00 C ATOM 0 H ALA A 35 4.223 5.592 0.577 1.00 0.00 H new ATOM 0 HA ALA A 35 6.245 3.801 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.837 2.966 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.306 3.347 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.969 4.470 -1.406 1.00 0.00 H new ATOM 541 N ASN A 36 7.234 6.017 -0.981 1.00 0.00 N ATOM 542 CA ASN A 36 8.436 6.596 -1.561 1.00 0.00 C ATOM 543 C ASN A 36 9.213 7.436 -0.549 1.00 0.00 C ATOM 544 O ASN A 36 10.428 7.563 -0.671 1.00 0.00 O ATOM 545 CB ASN A 36 8.117 7.387 -2.830 1.00 0.00 C ATOM 546 CG ASN A 36 9.402 7.639 -3.610 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.170 6.720 -3.878 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.687 8.870 -3.993 1.00 0.00 N ATOM 0 H ASN A 36 6.360 6.405 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 36 9.086 5.769 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.407 6.835 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.645 8.335 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.545 9.057 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.049 9.634 -3.770 1.00 0.00 H new ATOM 555 N ASP A 37 8.542 8.046 0.432 1.00 0.00 N ATOM 556 CA ASP A 37 9.178 8.847 1.487 1.00 0.00 C ATOM 557 C ASP A 37 9.918 7.929 2.465 1.00 0.00 C ATOM 558 O ASP A 37 10.841 8.358 3.158 1.00 0.00 O ATOM 559 CB ASP A 37 8.140 9.700 2.223 1.00 0.00 C ATOM 560 CG ASP A 37 8.800 10.598 3.266 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.544 11.521 2.864 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.531 10.434 4.480 1.00 0.00 O ATOM 0 H ASP A 37 7.527 7.998 0.519 1.00 0.00 H new ATOM 0 HA ASP A 37 9.899 9.522 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.595 10.313 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.410 9.051 2.708 1.00 0.00 H new ATOM 567 N ASN A 38 9.532 6.652 2.501 1.00 0.00 N ATOM 568 CA ASN A 38 10.107 5.600 3.327 1.00 0.00 C ATOM 569 C ASN A 38 11.164 4.831 2.514 1.00 0.00 C ATOM 570 O ASN A 38 11.809 3.926 3.038 1.00 0.00 O ATOM 571 CB ASN A 38 8.978 4.690 3.845 1.00 0.00 C ATOM 572 CG ASN A 38 9.346 3.874 5.076 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.427 4.000 5.645 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.419 3.083 5.589 1.00 0.00 N ATOM 0 H ASN A 38 8.766 6.310 1.920 1.00 0.00 H new ATOM 0 HA ASN A 38 10.612 6.021 4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.109 5.306 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.681 4.009 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.602 2.578 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.521 2.977 5.117 1.00 0.00 H new ATOM 581 N GLY A 39 11.380 5.176 1.237 1.00 0.00 N ATOM 582 CA GLY A 39 12.364 4.543 0.364 1.00 0.00 C ATOM 583 C GLY A 39 11.905 3.235 -0.270 1.00 0.00 C ATOM 584 O GLY A 39 12.752 2.380 -0.549 1.00 0.00 O ATOM 0 H GLY A 39 10.859 5.922 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.629 5.242 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.271 4.354 0.938 1.00 0.00 H new ATOM 588 N VAL A 40 10.600 3.057 -0.497 1.00 0.00 N ATOM 589 CA VAL A 40 10.054 1.850 -1.099 1.00 0.00 C ATOM 590 C VAL A 40 9.194 2.204 -2.304 1.00 0.00 C ATOM 591 O VAL A 40 8.271 3.022 -2.223 1.00 0.00 O ATOM 592 CB VAL A 40 9.251 1.016 -0.081 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.847 -0.331 -0.708 1.00 0.00 C ATOM 594 CG2 VAL A 40 10.025 0.774 1.220 1.00 0.00 C ATOM 0 H VAL A 40 9.893 3.755 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 40 10.891 1.236 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 40 8.360 1.590 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.280 -0.915 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.232 -0.152 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.743 -0.881 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.414 0.182 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.948 0.237 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.264 1.731 1.684 1.00 0.00 H new ATOM 604 N ASP A 41 9.494 1.577 -3.435 1.00 0.00 N ATOM 605 CA ASP A 41 8.755 1.769 -4.667 1.00 0.00 C ATOM 606 C ASP A 41 8.877 0.462 -5.430 1.00 0.00 C ATOM 607 O ASP A 41 9.875 0.208 -6.092 1.00 0.00 O ATOM 608 CB ASP A 41 9.301 2.984 -5.425 1.00 0.00 C ATOM 609 CG ASP A 41 8.379 3.410 -6.560 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.136 3.373 -6.355 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.896 3.888 -7.591 1.00 0.00 O ATOM 0 H ASP A 41 10.266 0.915 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 41 7.701 1.992 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.431 3.815 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.286 2.748 -5.827 1.00 0.00 H new ATOM 616 N GLY A 42 7.852 -0.379 -5.310 1.00 0.00 N ATOM 617 CA GLY A 42 7.791 -1.690 -5.931 1.00 0.00 C ATOM 618 C GLY A 42 6.465 -1.908 -6.627 1.00 0.00 C ATOM 619 O GLY A 42 5.807 -0.953 -7.036 1.00 0.00 O ATOM 0 H GLY A 42 7.021 -0.156 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.603 -1.792 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.938 -2.460 -5.174 1.00 0.00 H new ATOM 623 N GLU A 43 6.098 -3.169 -6.811 1.00 0.00 N ATOM 624 CA GLU A 43 4.871 -3.592 -7.460 1.00 0.00 C ATOM 625 C GLU A 43 3.705 -3.554 -6.466 1.00 0.00 C ATOM 626 O GLU A 43 3.687 -4.318 -5.495 1.00 0.00 O ATOM 627 CB GLU A 43 5.103 -4.994 -8.012 1.00 0.00 C ATOM 628 CG GLU A 43 3.866 -5.521 -8.739 1.00 0.00 C ATOM 629 CD GLU A 43 4.189 -6.867 -9.365 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.592 -7.786 -8.610 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.090 -6.981 -10.604 1.00 0.00 O ATOM 0 H GLU A 43 6.671 -3.953 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 43 4.607 -2.920 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.951 -4.981 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.362 -5.669 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.035 -5.621 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.553 -4.815 -9.508 1.00 0.00 H new ATOM 638 N TRP A 44 2.757 -2.645 -6.704 1.00 0.00 N ATOM 639 CA TRP A 44 1.559 -2.424 -5.906 1.00 0.00 C ATOM 640 C TRP A 44 0.428 -3.330 -6.407 1.00 0.00 C ATOM 641 O TRP A 44 -0.191 -3.003 -7.428 1.00 0.00 O ATOM 642 CB TRP A 44 1.137 -0.946 -6.037 1.00 0.00 C ATOM 643 CG TRP A 44 2.027 0.060 -5.382 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.265 0.406 -5.796 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.746 0.902 -4.228 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.803 1.344 -4.938 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.903 1.687 -3.962 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.633 1.099 -3.382 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.962 2.601 -2.912 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.690 2.009 -2.308 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.858 2.747 -2.064 1.00 0.00 C ATOM 0 H TRP A 44 2.812 -2.012 -7.502 1.00 0.00 H new ATOM 0 HA TRP A 44 1.764 -2.659 -4.862 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.069 -0.703 -7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.135 -0.839 -5.621 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.761 0.008 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.744 1.730 -5.019 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.276 0.544 -3.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.852 3.192 -2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.171 2.139 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.905 3.425 -1.225 1.00 0.00 H new ATOM 662 N THR A 45 0.109 -4.405 -5.678 1.00 0.00 N ATOM 663 CA THR A 45 -0.958 -5.335 -6.049 1.00 0.00 C ATOM 664 C THR A 45 -1.967 -5.466 -4.905 1.00 0.00 C ATOM 665 O THR A 45 -1.634 -5.837 -3.772 1.00 0.00 O ATOM 666 CB THR A 45 -0.369 -6.676 -6.499 1.00 0.00 C ATOM 667 OG1 THR A 45 0.468 -6.453 -7.611 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.455 -7.672 -6.926 1.00 0.00 C ATOM 0 H THR A 45 0.586 -4.653 -4.812 1.00 0.00 H new ATOM 0 HA THR A 45 -1.508 -4.942 -6.904 1.00 0.00 H new ATOM 0 HB THR A 45 0.176 -7.096 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.852 -7.304 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.989 -8.607 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.125 -7.861 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.023 -7.256 -7.758 1.00 0.00 H new ATOM 676 N TYR A 46 -3.217 -5.122 -5.207 1.00 0.00 N ATOM 677 CA TYR A 46 -4.354 -5.149 -4.304 1.00 0.00 C ATOM 678 C TYR A 46 -5.113 -6.470 -4.403 1.00 0.00 C ATOM 679 O TYR A 46 -5.115 -7.154 -5.429 1.00 0.00 O ATOM 680 CB TYR A 46 -5.300 -3.970 -4.578 1.00 0.00 C ATOM 681 CG TYR A 46 -6.045 -4.044 -5.892 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.482 -3.501 -7.064 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.290 -4.699 -5.943 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.146 -3.648 -8.294 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.948 -4.862 -7.170 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.368 -4.353 -8.352 1.00 0.00 C ATOM 687 OH TYR A 46 -7.999 -4.526 -9.542 1.00 0.00 O ATOM 0 H TYR A 46 -3.472 -4.800 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.967 -5.056 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.027 -3.910 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.722 -3.046 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.541 -2.972 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.739 -5.076 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.723 -3.223 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.897 -5.376 -7.211 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.826 -5.034 -9.403 1.00 0.00 H new ATOM 697 N ASP A 47 -5.726 -6.851 -3.291 1.00 0.00 N ATOM 698 CA ASP A 47 -6.541 -8.037 -3.141 1.00 0.00 C ATOM 699 C ASP A 47 -7.754 -7.556 -2.350 1.00 0.00 C ATOM 700 O ASP A 47 -7.690 -7.417 -1.130 1.00 0.00 O ATOM 701 CB ASP A 47 -5.773 -9.162 -2.437 1.00 0.00 C ATOM 702 CG ASP A 47 -6.616 -10.433 -2.332 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.859 -10.368 -2.374 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.043 -11.537 -2.164 1.00 0.00 O ATOM 0 H ASP A 47 -5.662 -6.310 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.835 -8.475 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.856 -9.376 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.479 -8.835 -1.440 1.00 0.00 H new ATOM 709 N ASP A 48 -8.835 -7.191 -3.040 1.00 0.00 N ATOM 710 CA ASP A 48 -10.066 -6.708 -2.404 1.00 0.00 C ATOM 711 C ASP A 48 -10.754 -7.808 -1.587 1.00 0.00 C ATOM 712 O ASP A 48 -11.316 -7.510 -0.531 1.00 0.00 O ATOM 713 CB ASP A 48 -11.012 -6.060 -3.433 1.00 0.00 C ATOM 714 CG ASP A 48 -12.383 -6.730 -3.540 1.00 0.00 C ATOM 715 OD1 ASP A 48 -13.312 -6.395 -2.769 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.538 -7.574 -4.450 1.00 0.00 O ATOM 0 H ASP A 48 -8.884 -7.221 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.787 -5.928 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.153 -5.012 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.533 -6.081 -4.412 1.00 0.00 H new ATOM 721 N ALA A 49 -10.686 -9.063 -2.043 1.00 0.00 N ATOM 722 CA ALA A 49 -11.273 -10.214 -1.370 1.00 0.00 C ATOM 723 C ALA A 49 -10.620 -10.404 -0.001 1.00 0.00 C ATOM 724 O ALA A 49 -11.316 -10.516 1.009 1.00 0.00 O ATOM 725 CB ALA A 49 -11.132 -11.470 -2.239 1.00 0.00 C ATOM 0 H ALA A 49 -10.209 -9.307 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.338 -10.037 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.575 -12.321 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.644 -11.315 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.076 -11.668 -2.424 1.00 0.00 H new ATOM 731 N THR A 50 -9.291 -10.449 0.044 1.00 0.00 N ATOM 732 CA THR A 50 -8.519 -10.611 1.274 1.00 0.00 C ATOM 733 C THR A 50 -8.384 -9.264 2.013 1.00 0.00 C ATOM 734 O THR A 50 -8.107 -9.249 3.218 1.00 0.00 O ATOM 735 CB THR A 50 -7.138 -11.191 0.910 1.00 0.00 C ATOM 736 OG1 THR A 50 -7.302 -12.301 0.047 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.337 -11.692 2.112 1.00 0.00 C ATOM 0 H THR A 50 -8.709 -10.372 -0.790 1.00 0.00 H new ATOM 0 HA THR A 50 -9.032 -11.296 1.949 1.00 0.00 H new ATOM 0 HB THR A 50 -6.592 -10.368 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.597 -12.293 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.378 -12.084 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.167 -10.868 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.894 -12.481 2.617 1.00 0.00 H new ATOM 745 N LYS A 51 -8.702 -8.153 1.335 1.00 0.00 N ATOM 746 CA LYS A 51 -8.651 -6.764 1.779 1.00 0.00 C ATOM 747 C LYS A 51 -7.236 -6.391 2.235 1.00 0.00 C ATOM 748 O LYS A 51 -7.025 -5.870 3.335 1.00 0.00 O ATOM 749 CB LYS A 51 -9.826 -6.483 2.727 1.00 0.00 C ATOM 750 CG LYS A 51 -9.953 -5.005 3.122 1.00 0.00 C ATOM 751 CD LYS A 51 -11.353 -4.711 3.663 1.00 0.00 C ATOM 752 CE LYS A 51 -12.273 -4.344 2.496 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.683 -4.692 2.733 1.00 0.00 N ATOM 0 H LYS A 51 -9.032 -8.216 0.372 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.816 -6.061 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.752 -6.805 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.707 -7.083 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.206 -4.759 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.751 -4.373 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.743 -5.582 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.314 -3.893 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.197 -3.273 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.927 -4.853 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.252 -4.418 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.767 -5.717 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.029 -4.187 3.574 1.00 0.00 H new ATOM 767 N THR A 52 -6.260 -6.659 1.376 1.00 0.00 N ATOM 768 CA THR A 52 -4.840 -6.397 1.572 1.00 0.00 C ATOM 769 C THR A 52 -4.275 -5.713 0.320 1.00 0.00 C ATOM 770 O THR A 52 -4.825 -5.861 -0.773 1.00 0.00 O ATOM 771 CB THR A 52 -4.120 -7.715 1.922 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.664 -8.813 1.217 1.00 0.00 O ATOM 773 CG2 THR A 52 -4.255 -8.044 3.410 1.00 0.00 C ATOM 0 H THR A 52 -6.450 -7.090 0.471 1.00 0.00 H new ATOM 0 HA THR A 52 -4.679 -5.717 2.408 1.00 0.00 H new ATOM 0 HB THR A 52 -3.076 -7.563 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.182 -9.630 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.737 -8.979 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.815 -7.241 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.310 -8.147 3.666 1.00 0.00 H new ATOM 781 N PHE A 53 -3.195 -4.940 0.460 1.00 0.00 N ATOM 782 CA PHE A 53 -2.554 -4.244 -0.644 1.00 0.00 C ATOM 783 C PHE A 53 -1.051 -4.206 -0.328 1.00 0.00 C ATOM 784 O PHE A 53 -0.568 -3.365 0.440 1.00 0.00 O ATOM 785 CB PHE A 53 -3.216 -2.859 -0.787 1.00 0.00 C ATOM 786 CG PHE A 53 -3.197 -2.210 -2.159 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.241 -2.543 -3.141 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.163 -1.226 -2.445 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.259 -1.898 -4.388 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.149 -0.558 -3.679 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.204 -0.900 -4.659 1.00 0.00 C ATOM 0 H PHE A 53 -2.739 -4.782 1.359 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.674 -4.736 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.256 -2.949 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.729 -2.180 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.494 -3.295 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.918 -0.984 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.539 -2.173 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.869 0.223 -3.876 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.205 -0.397 -5.615 1.00 0.00 H new ATOM 801 N THR A 54 -0.285 -5.085 -0.966 1.00 0.00 N ATOM 802 CA THR A 54 1.154 -5.212 -0.761 1.00 0.00 C ATOM 803 C THR A 54 1.972 -4.550 -1.872 1.00 0.00 C ATOM 804 O THR A 54 1.609 -4.615 -3.049 1.00 0.00 O ATOM 805 CB THR A 54 1.539 -6.689 -0.586 1.00 0.00 C ATOM 806 OG1 THR A 54 0.624 -7.370 0.257 1.00 0.00 O ATOM 807 CG2 THR A 54 2.943 -6.840 0.013 1.00 0.00 C ATOM 0 H THR A 54 -0.654 -5.742 -1.653 1.00 0.00 H new ATOM 0 HA THR A 54 1.399 -4.674 0.155 1.00 0.00 H new ATOM 0 HB THR A 54 1.517 -7.127 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.897 -8.307 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.180 -7.898 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.673 -6.371 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.975 -6.358 0.990 1.00 0.00 H new ATOM 815 N VAL A 55 3.027 -3.847 -1.465 1.00 0.00 N ATOM 816 CA VAL A 55 3.987 -3.152 -2.305 1.00 0.00 C ATOM 817 C VAL A 55 5.265 -3.976 -2.161 1.00 0.00 C ATOM 818 O VAL A 55 5.901 -3.887 -1.111 1.00 0.00 O ATOM 819 CB VAL A 55 4.193 -1.701 -1.825 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.100 -0.940 -2.803 1.00 0.00 C ATOM 821 CG2 VAL A 55 2.856 -0.976 -1.639 1.00 0.00 C ATOM 0 H VAL A 55 3.244 -3.744 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 55 3.661 -3.071 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 55 4.682 -1.734 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.237 0.083 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.069 -1.436 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.639 -0.926 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.039 0.044 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.320 -0.952 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.257 -1.503 -0.897 1.00 0.00 H new ATOM 831 N THR A 56 5.618 -4.790 -3.156 1.00 0.00 N ATOM 832 CA THR A 56 6.813 -5.627 -3.110 1.00 0.00 C ATOM 833 C THR A 56 7.818 -5.138 -4.146 1.00 0.00 C ATOM 834 O THR A 56 7.563 -5.211 -5.351 1.00 0.00 O ATOM 835 CB THR A 56 6.436 -7.107 -3.270 1.00 0.00 C ATOM 836 OG1 THR A 56 5.553 -7.507 -2.236 1.00 0.00 O ATOM 837 CG2 THR A 56 7.641 -8.048 -3.199 1.00 0.00 C ATOM 0 H THR A 56 5.081 -4.886 -4.018 1.00 0.00 H new ATOM 0 HA THR A 56 7.296 -5.544 -2.136 1.00 0.00 H new ATOM 0 HB THR A 56 5.977 -7.182 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.320 -8.452 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.306 -9.078 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.344 -7.800 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.133 -7.937 -2.233 1.00 0.00 H new ATOM 845 N GLU A 57 8.904 -4.544 -3.656 1.00 0.00 N ATOM 846 CA GLU A 57 10.019 -4.016 -4.429 1.00 0.00 C ATOM 847 C GLU A 57 11.106 -5.079 -4.450 1.00 0.00 C ATOM 848 O GLU A 57 11.208 -5.838 -3.465 1.00 0.00 O ATOM 849 CB GLU A 57 10.507 -2.716 -3.767 1.00 0.00 C ATOM 850 CG GLU A 57 11.645 -2.047 -4.550 1.00 0.00 C ATOM 851 CD GLU A 57 12.010 -0.665 -3.998 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.924 -0.415 -2.775 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.516 0.197 -4.751 1.00 0.00 O ATOM 0 H GLU A 57 9.034 -4.412 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 57 9.731 -3.782 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.672 -2.021 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.846 -2.933 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.526 -2.689 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.353 -1.951 -5.596 1.00 0.00 H new TER 860 GLU A 57