USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 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 50 THR OG1 : rot -90:sc= 0.45 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0912 (180deg=-0.672) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.94 (180deg=1.92) USER MOD Single : A 3 THR OG1 : rot 26:sc= 0.86 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.077) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -39:sc= 0.0375 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.55) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -145:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 0.952 (180deg=-0.114) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.373 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.084 0.912 1.666 1.00 0.00 N ATOM 2 CA MET A 1 -15.707 -0.016 0.592 1.00 0.00 C ATOM 3 C MET A 1 -15.095 -1.253 1.228 1.00 0.00 C ATOM 4 O MET A 1 -15.697 -2.332 1.151 1.00 0.00 O ATOM 5 CB MET A 1 -14.824 0.659 -0.464 1.00 0.00 C ATOM 6 CG MET A 1 -14.936 -0.037 -1.823 1.00 0.00 C ATOM 7 SD MET A 1 -16.609 -0.126 -2.529 1.00 0.00 S ATOM 8 CE MET A 1 -16.962 1.606 -2.939 1.00 0.00 C ATOM 0 H1 MET A 1 -16.567 1.737 1.258 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.722 0.431 2.332 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.230 1.225 2.170 1.00 0.00 H new ATOM 0 HA MET A 1 -16.587 -0.331 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.113 1.705 -0.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.786 0.646 -0.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.290 0.483 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.549 -1.051 -1.724 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.799 1.652 -3.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.217 2.151 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.083 2.058 -3.398 1.00 0.00 H new ATOM 18 N GLY A 2 -13.920 -1.143 1.860 1.00 0.00 N ATOM 19 CA GLY A 2 -13.327 -2.289 2.505 1.00 0.00 C ATOM 20 C GLY A 2 -12.055 -1.901 3.224 1.00 0.00 C ATOM 21 O GLY A 2 -11.713 -0.715 3.297 1.00 0.00 O ATOM 0 H GLY A 2 -13.379 -0.281 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.034 -2.719 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.111 -3.058 1.763 1.00 0.00 H new ATOM 25 N THR A 3 -11.410 -2.900 3.816 1.00 0.00 N ATOM 26 CA THR A 3 -10.151 -2.738 4.511 1.00 0.00 C ATOM 27 C THR A 3 -9.101 -3.166 3.484 1.00 0.00 C ATOM 28 O THR A 3 -9.296 -4.160 2.789 1.00 0.00 O ATOM 29 CB THR A 3 -10.125 -3.496 5.851 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.904 -3.242 6.525 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.325 -5.011 5.732 1.00 0.00 C ATOM 0 H THR A 3 -11.758 -3.859 3.823 1.00 0.00 H new ATOM 0 HA THR A 3 -9.958 -1.716 4.836 1.00 0.00 H new ATOM 0 HB THR A 3 -10.977 -3.118 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.547 -2.375 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.292 -5.461 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.292 -5.215 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.533 -5.435 5.114 1.00 0.00 H new ATOM 39 N TYR A 4 -8.013 -2.418 3.355 1.00 0.00 N ATOM 40 CA TYR A 4 -6.948 -2.679 2.405 1.00 0.00 C ATOM 41 C TYR A 4 -5.632 -2.840 3.160 1.00 0.00 C ATOM 42 O TYR A 4 -5.403 -2.093 4.116 1.00 0.00 O ATOM 43 CB TYR A 4 -6.924 -1.520 1.389 1.00 0.00 C ATOM 44 CG TYR A 4 -8.237 -1.254 0.646 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.473 -1.846 -0.613 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.230 -0.410 1.198 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.675 -1.610 -1.306 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.416 -0.144 0.495 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.650 -0.758 -0.748 1.00 0.00 C ATOM 50 OH TYR A 4 -11.828 -0.552 -1.386 1.00 0.00 O ATOM 0 H TYR A 4 -7.846 -1.590 3.927 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.110 -3.606 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.635 -0.609 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.147 -1.724 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.722 -2.488 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.074 0.034 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.850 -2.080 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.149 0.533 0.909 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.063 -1.350 -1.904 1.00 0.00 H new ATOM 60 N LYS A 5 -4.762 -3.782 2.763 1.00 0.00 N ATOM 61 CA LYS A 5 -3.477 -3.947 3.460 1.00 0.00 C ATOM 62 C LYS A 5 -2.356 -3.295 2.648 1.00 0.00 C ATOM 63 O LYS A 5 -2.314 -3.405 1.427 1.00 0.00 O ATOM 64 CB LYS A 5 -3.220 -5.420 3.778 1.00 0.00 C ATOM 65 CG LYS A 5 -3.753 -5.769 5.175 1.00 0.00 C ATOM 66 CD LYS A 5 -3.408 -7.220 5.504 1.00 0.00 C ATOM 67 CE LYS A 5 -3.456 -7.511 7.004 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.707 -8.742 7.332 1.00 0.00 N ATOM 0 H LYS A 5 -4.917 -4.424 1.986 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.510 -3.434 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.703 -6.049 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.151 -5.628 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.317 -5.103 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.833 -5.624 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.104 -7.881 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.411 -7.447 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.036 -6.669 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.493 -7.616 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.756 -8.916 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.124 -9.548 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.713 -8.630 7.047 1.00 0.00 H new ATOM 82 N LEU A 6 -1.455 -2.585 3.329 1.00 0.00 N ATOM 83 CA LEU A 6 -0.330 -1.862 2.734 1.00 0.00 C ATOM 84 C LEU A 6 1.007 -2.362 3.276 1.00 0.00 C ATOM 85 O LEU A 6 1.318 -2.091 4.423 1.00 0.00 O ATOM 86 CB LEU A 6 -0.517 -0.361 3.087 1.00 0.00 C ATOM 87 CG LEU A 6 -0.915 0.523 1.897 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.661 1.763 2.406 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.342 0.936 1.119 1.00 0.00 C ATOM 0 H LEU A 6 -1.490 -2.495 4.344 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.315 -2.020 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.280 -0.274 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.412 0.019 3.512 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.573 -0.034 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.943 2.390 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.557 1.453 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.013 2.328 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.057 1.564 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.010 1.493 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.853 0.045 0.753 1.00 0.00 H new ATOM 101 N ILE A 7 1.805 -3.083 2.498 1.00 0.00 N ATOM 102 CA ILE A 7 3.136 -3.611 2.832 1.00 0.00 C ATOM 103 C ILE A 7 4.133 -3.113 1.780 1.00 0.00 C ATOM 104 O ILE A 7 3.907 -3.266 0.579 1.00 0.00 O ATOM 105 CB ILE A 7 3.116 -5.140 3.040 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.541 -5.655 3.349 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.508 -5.895 1.850 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.564 -7.060 3.958 1.00 0.00 C ATOM 0 H ILE A 7 1.526 -3.336 1.550 1.00 0.00 H new ATOM 0 HA ILE A 7 3.468 -3.231 3.798 1.00 0.00 H new ATOM 0 HB ILE A 7 2.469 -5.339 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.126 -5.657 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.028 -4.962 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.521 -6.966 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.480 -5.567 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.091 -5.689 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.595 -7.357 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.007 -7.060 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.106 -7.765 3.264 1.00 0.00 H new ATOM 120 N LEU A 8 5.207 -2.470 2.231 1.00 0.00 N ATOM 121 CA LEU A 8 6.251 -1.895 1.394 1.00 0.00 C ATOM 122 C LEU A 8 7.611 -2.533 1.673 1.00 0.00 C ATOM 123 O LEU A 8 7.898 -2.876 2.824 1.00 0.00 O ATOM 124 CB LEU A 8 6.311 -0.374 1.617 1.00 0.00 C ATOM 125 CG LEU A 8 5.057 0.472 1.284 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.540 0.213 -0.138 1.00 0.00 C ATOM 127 CD2 LEU A 8 3.916 0.339 2.303 1.00 0.00 C ATOM 0 H LEU A 8 5.378 -2.331 3.227 1.00 0.00 H new ATOM 0 HA LEU A 8 6.006 -2.099 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.558 -0.202 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.140 0.015 1.026 1.00 0.00 H new ATOM 0 HG LEU A 8 5.405 1.503 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.660 0.829 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.318 0.464 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.274 -0.839 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.078 0.963 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.594 -0.701 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.265 0.660 3.284 1.00 0.00 H new ATOM 139 N ASN A 9 8.418 -2.771 0.633 1.00 0.00 N ATOM 140 CA ASN A 9 9.763 -3.336 0.733 1.00 0.00 C ATOM 141 C ASN A 9 10.677 -2.289 0.109 1.00 0.00 C ATOM 142 O ASN A 9 10.443 -1.891 -1.034 1.00 0.00 O ATOM 143 CB ASN A 9 9.971 -4.654 -0.038 1.00 0.00 C ATOM 144 CG ASN A 9 9.287 -5.911 0.482 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.573 -6.997 -0.017 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.393 -5.828 1.458 1.00 0.00 N ATOM 0 H ASN A 9 8.143 -2.569 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 9 9.961 -3.570 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.639 -4.495 -1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.042 -4.851 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.934 -6.671 1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.164 -4.921 1.864 1.00 0.00 H new ATOM 153 N GLY A 10 11.671 -1.826 0.856 1.00 0.00 N ATOM 154 CA GLY A 10 12.677 -0.842 0.478 1.00 0.00 C ATOM 155 C GLY A 10 14.040 -1.368 0.927 1.00 0.00 C ATOM 156 O GLY A 10 14.109 -2.322 1.713 1.00 0.00 O ATOM 0 H GLY A 10 11.805 -2.153 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.667 -0.680 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.466 0.119 0.947 1.00 0.00 H new ATOM 160 N LYS A 11 15.131 -0.699 0.538 1.00 0.00 N ATOM 161 CA LYS A 11 16.480 -1.155 0.883 1.00 0.00 C ATOM 162 C LYS A 11 16.712 -1.289 2.387 1.00 0.00 C ATOM 163 O LYS A 11 17.121 -2.362 2.831 1.00 0.00 O ATOM 164 CB LYS A 11 17.453 -0.151 0.247 1.00 0.00 C ATOM 165 CG LYS A 11 18.891 -0.657 0.130 1.00 0.00 C ATOM 166 CD LYS A 11 19.607 0.234 -0.888 1.00 0.00 C ATOM 167 CE LYS A 11 21.108 -0.016 -0.908 1.00 0.00 C ATOM 168 NZ LYS A 11 21.743 0.610 -2.084 1.00 0.00 N ATOM 0 H LYS A 11 15.105 0.158 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 11 16.636 -2.163 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.090 0.109 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.449 0.765 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.393 -0.615 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.907 -1.698 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.196 0.053 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.417 1.281 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.556 0.380 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.299 -1.089 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.766 0.421 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.331 0.214 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.580 1.637 -2.061 1.00 0.00 H new ATOM 182 N THR A 12 16.425 -0.252 3.175 1.00 0.00 N ATOM 183 CA THR A 12 16.547 -0.265 4.636 1.00 0.00 C ATOM 184 C THR A 12 15.224 0.108 5.324 1.00 0.00 C ATOM 185 O THR A 12 15.148 0.166 6.553 1.00 0.00 O ATOM 186 CB THR A 12 17.802 0.501 5.100 1.00 0.00 C ATOM 187 OG1 THR A 12 18.196 0.149 6.424 1.00 0.00 O ATOM 188 CG2 THR A 12 17.636 2.022 5.025 1.00 0.00 C ATOM 0 H THR A 12 16.094 0.641 2.809 1.00 0.00 H new ATOM 0 HA THR A 12 16.724 -1.286 4.974 1.00 0.00 H new ATOM 0 HB THR A 12 18.582 0.200 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.399 0.035 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.552 2.505 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.431 2.315 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.806 2.329 5.662 1.00 0.00 H new ATOM 196 N LEU A 13 14.189 0.426 4.544 1.00 0.00 N ATOM 197 CA LEU A 13 12.880 0.839 5.022 1.00 0.00 C ATOM 198 C LEU A 13 11.878 -0.224 4.606 1.00 0.00 C ATOM 199 O LEU A 13 11.710 -0.471 3.415 1.00 0.00 O ATOM 200 CB LEU A 13 12.531 2.222 4.431 1.00 0.00 C ATOM 201 CG LEU A 13 13.549 3.339 4.753 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.230 4.644 4.023 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.619 3.626 6.253 1.00 0.00 C ATOM 0 H LEU A 13 14.248 0.400 3.526 1.00 0.00 H new ATOM 0 HA LEU A 13 12.864 0.936 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.446 2.128 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.552 2.524 4.803 1.00 0.00 H new ATOM 0 HG LEU A 13 14.513 2.966 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.974 5.397 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.247 4.472 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.241 4.994 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.346 4.417 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.639 3.943 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.923 2.723 6.782 1.00 0.00 H new ATOM 215 N LYS A 14 11.263 -0.901 5.571 1.00 0.00 N ATOM 216 CA LYS A 14 10.270 -1.942 5.329 1.00 0.00 C ATOM 217 C LYS A 14 9.201 -1.802 6.398 1.00 0.00 C ATOM 218 O LYS A 14 9.510 -1.394 7.524 1.00 0.00 O ATOM 219 CB LYS A 14 10.926 -3.338 5.398 1.00 0.00 C ATOM 220 CG LYS A 14 9.968 -4.445 4.922 1.00 0.00 C ATOM 221 CD LYS A 14 10.484 -5.864 5.167 1.00 0.00 C ATOM 222 CE LYS A 14 9.392 -6.838 4.699 1.00 0.00 C ATOM 223 NZ LYS A 14 9.752 -8.243 4.952 1.00 0.00 N ATOM 0 H LYS A 14 11.444 -0.738 6.561 1.00 0.00 H new ATOM 0 HA LYS A 14 9.834 -1.835 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.826 -3.347 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.238 -3.543 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.011 -4.325 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.782 -4.316 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.411 -6.035 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.705 -6.015 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.458 -6.607 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.215 -6.697 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.986 -8.863 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.629 -8.474 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.896 -8.386 5.972 1.00 0.00 H new ATOM 237 N GLY A 15 7.962 -2.154 6.089 1.00 0.00 N ATOM 238 CA GLY A 15 6.887 -2.083 7.050 1.00 0.00 C ATOM 239 C GLY A 15 5.580 -2.489 6.401 1.00 0.00 C ATOM 240 O GLY A 15 5.506 -2.635 5.176 1.00 0.00 O ATOM 0 H GLY A 15 7.681 -2.494 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.101 -2.737 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.807 -1.070 7.444 1.00 0.00 H new ATOM 244 N GLU A 16 4.560 -2.718 7.225 1.00 0.00 N ATOM 245 CA GLU A 16 3.246 -3.109 6.757 1.00 0.00 C ATOM 246 C GLU A 16 2.157 -2.540 7.649 1.00 0.00 C ATOM 247 O GLU A 16 2.366 -2.357 8.849 1.00 0.00 O ATOM 248 CB GLU A 16 3.129 -4.637 6.678 1.00 0.00 C ATOM 249 CG GLU A 16 3.269 -5.350 8.030 1.00 0.00 C ATOM 250 CD GLU A 16 2.890 -6.815 7.897 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.804 -7.653 7.742 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.671 -7.109 7.990 1.00 0.00 O ATOM 0 H GLU A 16 4.629 -2.635 8.239 1.00 0.00 H new ATOM 0 HA GLU A 16 3.114 -2.700 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.163 -4.894 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.895 -5.014 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.294 -5.264 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.630 -4.868 8.770 1.00 0.00 H new ATOM 259 N THR A 17 0.969 -2.347 7.078 1.00 0.00 N ATOM 260 CA THR A 17 -0.170 -1.814 7.806 1.00 0.00 C ATOM 261 C THR A 17 -1.478 -2.237 7.127 1.00 0.00 C ATOM 262 O THR A 17 -1.478 -3.065 6.207 1.00 0.00 O ATOM 263 CB THR A 17 0.007 -0.286 7.963 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.789 0.162 9.036 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.275 0.542 6.702 1.00 0.00 C ATOM 0 H THR A 17 0.774 -2.557 6.099 1.00 0.00 H new ATOM 0 HA THR A 17 -0.224 -2.227 8.813 1.00 0.00 H new ATOM 0 HB THR A 17 1.067 -0.125 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.680 1.130 9.142 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.122 1.599 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.402 0.234 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.305 0.382 6.385 1.00 0.00 H new ATOM 273 N THR A 18 -2.603 -1.731 7.627 1.00 0.00 N ATOM 274 CA THR A 18 -3.946 -1.974 7.132 1.00 0.00 C ATOM 275 C THR A 18 -4.689 -0.638 7.253 1.00 0.00 C ATOM 276 O THR A 18 -4.439 0.131 8.184 1.00 0.00 O ATOM 277 CB THR A 18 -4.569 -3.174 7.878 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.710 -3.690 7.213 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.927 -2.897 9.341 1.00 0.00 C ATOM 0 H THR A 18 -2.596 -1.106 8.433 1.00 0.00 H new ATOM 0 HA THR A 18 -3.989 -2.277 6.086 1.00 0.00 H new ATOM 0 HB THR A 18 -3.773 -3.919 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.069 -4.448 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.358 -3.794 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.027 -2.616 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.651 -2.083 9.391 1.00 0.00 H new ATOM 287 N THR A 19 -5.624 -0.377 6.346 1.00 0.00 N ATOM 288 CA THR A 19 -6.416 0.839 6.276 1.00 0.00 C ATOM 289 C THR A 19 -7.852 0.486 5.867 1.00 0.00 C ATOM 290 O THR A 19 -8.144 -0.667 5.542 1.00 0.00 O ATOM 291 CB THR A 19 -5.779 1.779 5.230 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.966 1.213 3.947 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.285 2.049 5.429 1.00 0.00 C ATOM 0 H THR A 19 -5.859 -1.040 5.607 1.00 0.00 H new ATOM 0 HA THR A 19 -6.440 1.335 7.246 1.00 0.00 H new ATOM 0 HB THR A 19 -6.277 2.742 5.345 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.568 1.799 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.929 2.719 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.125 2.512 6.403 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.736 1.109 5.380 1.00 0.00 H new ATOM 301 N GLU A 20 -8.787 1.421 6.014 1.00 0.00 N ATOM 302 CA GLU A 20 -10.199 1.328 5.641 1.00 0.00 C ATOM 303 C GLU A 20 -10.548 2.583 4.841 1.00 0.00 C ATOM 304 O GLU A 20 -9.916 3.617 5.090 1.00 0.00 O ATOM 305 CB GLU A 20 -11.118 1.234 6.854 1.00 0.00 C ATOM 306 CG GLU A 20 -10.917 -0.022 7.707 1.00 0.00 C ATOM 307 CD GLU A 20 -11.548 0.239 9.068 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.648 -0.288 9.353 1.00 0.00 O ATOM 309 OE2 GLU A 20 -10.994 1.071 9.823 1.00 0.00 O ATOM 0 H GLU A 20 -8.564 2.327 6.425 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.347 0.419 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.963 2.112 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.153 1.265 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.379 -0.886 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.856 -0.246 7.814 1.00 0.00 H new ATOM 316 N ALA A 21 -11.486 2.522 3.891 1.00 0.00 N ATOM 317 CA ALA A 21 -11.913 3.687 3.115 1.00 0.00 C ATOM 318 C ALA A 21 -13.384 3.525 2.734 1.00 0.00 C ATOM 319 O ALA A 21 -13.818 2.397 2.457 1.00 0.00 O ATOM 320 CB ALA A 21 -11.066 3.849 1.853 1.00 0.00 C ATOM 0 H ALA A 21 -11.971 1.661 3.639 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.782 4.580 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.406 4.722 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.020 3.980 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.167 2.960 1.230 1.00 0.00 H new ATOM 326 N VAL A 22 -14.142 4.630 2.701 1.00 0.00 N ATOM 327 CA VAL A 22 -15.560 4.594 2.331 1.00 0.00 C ATOM 328 C VAL A 22 -15.694 4.211 0.855 1.00 0.00 C ATOM 329 O VAL A 22 -16.585 3.436 0.503 1.00 0.00 O ATOM 330 CB VAL A 22 -16.317 5.887 2.714 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.382 6.039 4.236 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.734 7.181 2.134 1.00 0.00 C ATOM 0 H VAL A 22 -13.793 5.562 2.927 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.054 3.821 2.919 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.306 5.759 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.918 6.954 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.903 5.183 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.371 6.088 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.335 8.029 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.709 7.307 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.742 7.128 1.045 1.00 0.00 H new ATOM 342 N ASP A 23 -14.739 4.601 0.012 1.00 0.00 N ATOM 343 CA ASP A 23 -14.697 4.313 -1.414 1.00 0.00 C ATOM 344 C ASP A 23 -13.240 3.998 -1.757 1.00 0.00 C ATOM 345 O ASP A 23 -12.321 4.367 -1.020 1.00 0.00 O ATOM 346 CB ASP A 23 -15.201 5.555 -2.170 1.00 0.00 C ATOM 347 CG ASP A 23 -15.509 5.317 -3.652 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.644 4.789 -4.383 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.617 5.712 -4.082 1.00 0.00 O ATOM 0 H ASP A 23 -13.938 5.151 0.323 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.327 3.469 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.102 5.922 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.451 6.342 -2.090 1.00 0.00 H new ATOM 354 N ALA A 24 -13.001 3.286 -2.855 1.00 0.00 N ATOM 355 CA ALA A 24 -11.652 2.964 -3.286 1.00 0.00 C ATOM 356 C ALA A 24 -10.961 4.250 -3.762 1.00 0.00 C ATOM 357 O ALA A 24 -9.736 4.315 -3.761 1.00 0.00 O ATOM 358 CB ALA A 24 -11.681 1.893 -4.373 1.00 0.00 C ATOM 0 H ALA A 24 -13.733 2.921 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.081 2.554 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.662 1.663 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.153 0.991 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.249 2.258 -5.229 1.00 0.00 H new ATOM 364 N ALA A 25 -11.732 5.293 -4.096 1.00 0.00 N ATOM 365 CA ALA A 25 -11.249 6.585 -4.556 1.00 0.00 C ATOM 366 C ALA A 25 -10.215 7.170 -3.584 1.00 0.00 C ATOM 367 O ALA A 25 -9.140 7.589 -4.017 1.00 0.00 O ATOM 368 CB ALA A 25 -12.450 7.522 -4.729 1.00 0.00 C ATOM 0 H ALA A 25 -12.750 5.250 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.743 6.466 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.104 8.497 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.138 7.100 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.963 7.636 -3.774 1.00 0.00 H new ATOM 374 N THR A 26 -10.526 7.212 -2.280 1.00 0.00 N ATOM 375 CA THR A 26 -9.598 7.738 -1.279 1.00 0.00 C ATOM 376 C THR A 26 -8.506 6.714 -0.984 1.00 0.00 C ATOM 377 O THR A 26 -7.379 7.126 -0.715 1.00 0.00 O ATOM 378 CB THR A 26 -10.335 8.126 0.011 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.416 8.972 -0.323 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.472 8.875 1.030 1.00 0.00 C ATOM 0 H THR A 26 -11.414 6.887 -1.898 1.00 0.00 H new ATOM 0 HA THR A 26 -9.136 8.639 -1.683 1.00 0.00 H new ATOM 0 HB THR A 26 -10.647 7.189 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.897 9.226 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.070 9.111 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.628 8.250 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.102 9.799 0.585 1.00 0.00 H new ATOM 388 N ALA A 27 -8.813 5.410 -1.028 1.00 0.00 N ATOM 389 CA ALA A 27 -7.817 4.377 -0.772 1.00 0.00 C ATOM 390 C ALA A 27 -6.666 4.568 -1.763 1.00 0.00 C ATOM 391 O ALA A 27 -5.516 4.692 -1.356 1.00 0.00 O ATOM 392 CB ALA A 27 -8.438 2.978 -0.877 1.00 0.00 C ATOM 0 H ALA A 27 -9.745 5.052 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.434 4.466 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.674 2.225 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.240 2.880 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.842 2.834 -1.879 1.00 0.00 H new ATOM 398 N GLU A 28 -7.001 4.696 -3.047 1.00 0.00 N ATOM 399 CA GLU A 28 -6.080 4.890 -4.155 1.00 0.00 C ATOM 400 C GLU A 28 -5.183 6.120 -3.954 1.00 0.00 C ATOM 401 O GLU A 28 -4.029 6.124 -4.383 1.00 0.00 O ATOM 402 CB GLU A 28 -6.914 4.958 -5.438 1.00 0.00 C ATOM 403 CG GLU A 28 -6.065 4.900 -6.710 1.00 0.00 C ATOM 404 CD GLU A 28 -6.947 4.721 -7.946 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.620 3.842 -8.784 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.951 5.454 -8.088 1.00 0.00 O ATOM 0 H GLU A 28 -7.974 4.665 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.383 4.054 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.626 4.133 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.495 5.880 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.481 5.815 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.356 4.075 -6.642 1.00 0.00 H new ATOM 413 N LYS A 29 -5.715 7.189 -3.353 1.00 0.00 N ATOM 414 CA LYS A 29 -4.974 8.420 -3.077 1.00 0.00 C ATOM 415 C LYS A 29 -4.054 8.227 -1.877 1.00 0.00 C ATOM 416 O LYS A 29 -2.852 8.491 -1.969 1.00 0.00 O ATOM 417 CB LYS A 29 -5.961 9.575 -2.842 1.00 0.00 C ATOM 418 CG LYS A 29 -6.606 9.999 -4.167 1.00 0.00 C ATOM 419 CD LYS A 29 -7.778 10.957 -3.959 1.00 0.00 C ATOM 420 CE LYS A 29 -8.184 11.486 -5.330 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.287 12.462 -5.272 1.00 0.00 N ATOM 0 H LYS A 29 -6.686 7.222 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.351 8.668 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.732 9.266 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.441 10.422 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.856 10.477 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.953 9.114 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.613 10.444 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.491 11.777 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.320 11.952 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.481 10.649 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.517 12.784 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.124 12.015 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.999 13.277 -4.694 1.00 0.00 H new ATOM 435 N VAL A 30 -4.599 7.757 -0.752 1.00 0.00 N ATOM 436 CA VAL A 30 -3.822 7.534 0.457 1.00 0.00 C ATOM 437 C VAL A 30 -2.704 6.530 0.195 1.00 0.00 C ATOM 438 O VAL A 30 -1.651 6.690 0.793 1.00 0.00 O ATOM 439 CB VAL A 30 -4.676 7.283 1.716 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.030 5.815 1.944 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.944 7.788 2.969 1.00 0.00 C ATOM 0 H VAL A 30 -5.587 7.523 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.325 8.468 0.718 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.604 7.829 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.631 5.722 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.597 5.441 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.115 5.233 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.560 7.604 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.995 7.262 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.757 8.858 2.875 1.00 0.00 H new ATOM 451 N PHE A 31 -2.865 5.544 -0.701 1.00 0.00 N ATOM 452 CA PHE A 31 -1.808 4.571 -0.963 1.00 0.00 C ATOM 453 C PHE A 31 -0.514 5.290 -1.357 1.00 0.00 C ATOM 454 O PHE A 31 0.551 4.944 -0.849 1.00 0.00 O ATOM 455 CB PHE A 31 -2.174 3.666 -2.153 1.00 0.00 C ATOM 456 CG PHE A 31 -3.359 2.722 -2.074 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.848 2.215 -0.854 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.950 2.301 -3.279 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.962 1.355 -0.843 1.00 0.00 C ATOM 460 CE2 PHE A 31 -5.075 1.463 -3.267 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.597 1.008 -2.046 1.00 0.00 C ATOM 0 H PHE A 31 -3.713 5.405 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.683 3.985 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.339 4.317 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.296 3.060 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.367 2.487 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.534 2.626 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.329 0.961 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.539 1.168 -4.197 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.485 0.393 -2.032 1.00 0.00 H new ATOM 471 N LYS A 32 -0.586 6.302 -2.227 1.00 0.00 N ATOM 472 CA LYS A 32 0.588 7.050 -2.669 1.00 0.00 C ATOM 473 C LYS A 32 1.176 7.853 -1.514 1.00 0.00 C ATOM 474 O LYS A 32 2.375 7.772 -1.265 1.00 0.00 O ATOM 475 CB LYS A 32 0.165 7.982 -3.816 1.00 0.00 C ATOM 476 CG LYS A 32 1.317 8.827 -4.369 1.00 0.00 C ATOM 477 CD LYS A 32 0.815 9.664 -5.547 1.00 0.00 C ATOM 478 CE LYS A 32 1.929 10.572 -6.065 1.00 0.00 C ATOM 479 NZ LYS A 32 1.469 11.369 -7.217 1.00 0.00 N ATOM 0 H LYS A 32 -1.460 6.623 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 32 1.357 6.361 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.257 7.384 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.625 8.645 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.712 9.478 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.134 8.181 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.469 9.009 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.039 10.266 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.261 11.237 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.789 9.969 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.244 11.977 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.175 10.732 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.663 11.961 -6.930 1.00 0.00 H new ATOM 493 N GLN A 33 0.326 8.602 -0.810 1.00 0.00 N ATOM 494 CA GLN A 33 0.726 9.446 0.307 1.00 0.00 C ATOM 495 C GLN A 33 1.399 8.626 1.411 1.00 0.00 C ATOM 496 O GLN A 33 2.499 8.952 1.843 1.00 0.00 O ATOM 497 CB GLN A 33 -0.546 10.147 0.824 1.00 0.00 C ATOM 498 CG GLN A 33 -0.322 11.057 2.036 1.00 0.00 C ATOM 499 CD GLN A 33 -1.648 11.619 2.540 1.00 0.00 C ATOM 500 OE1 GLN A 33 -2.200 12.538 1.939 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.222 11.071 3.600 1.00 0.00 N ATOM 0 H GLN A 33 -0.674 8.637 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 33 1.462 10.182 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.973 10.739 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.283 9.388 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.167 10.497 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.346 11.875 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.758 10.309 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.128 11.411 3.922 1.00 0.00 H new ATOM 510 N TYR A 34 0.746 7.542 1.819 1.00 0.00 N ATOM 511 CA TYR A 34 1.197 6.656 2.861 1.00 0.00 C ATOM 512 C TYR A 34 2.463 5.899 2.489 1.00 0.00 C ATOM 513 O TYR A 34 3.440 5.943 3.233 1.00 0.00 O ATOM 514 CB TYR A 34 0.070 5.680 3.242 1.00 0.00 C ATOM 515 CG TYR A 34 0.532 4.826 4.393 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.072 3.552 4.159 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.631 5.414 5.660 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.815 2.903 5.155 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.359 4.768 6.672 1.00 0.00 C ATOM 520 CZ TYR A 34 1.996 3.535 6.406 1.00 0.00 C ATOM 521 OH TYR A 34 2.799 2.967 7.342 1.00 0.00 O ATOM 0 H TYR A 34 -0.144 7.255 1.411 1.00 0.00 H new ATOM 0 HA TYR A 34 1.452 7.274 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.829 6.231 3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.191 5.054 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.914 3.069 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.149 6.360 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.245 1.930 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.432 5.213 7.653 1.00 0.00 H new ATOM 0 HH TYR A 34 2.815 3.530 8.144 1.00 0.00 H new ATOM 531 N ALA A 35 2.475 5.191 1.356 1.00 0.00 N ATOM 532 CA ALA A 35 3.651 4.428 0.961 1.00 0.00 C ATOM 533 C ALA A 35 4.883 5.322 0.853 1.00 0.00 C ATOM 534 O ALA A 35 5.963 4.892 1.250 1.00 0.00 O ATOM 535 CB ALA A 35 3.375 3.662 -0.331 1.00 0.00 C ATOM 0 H ALA A 35 1.691 5.133 0.706 1.00 0.00 H new ATOM 0 HA ALA A 35 3.869 3.696 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.262 3.096 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.541 2.977 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.124 4.366 -1.125 1.00 0.00 H new ATOM 541 N ASN A 36 4.732 6.562 0.370 1.00 0.00 N ATOM 542 CA ASN A 36 5.843 7.502 0.231 1.00 0.00 C ATOM 543 C ASN A 36 6.585 7.734 1.553 1.00 0.00 C ATOM 544 O ASN A 36 7.784 8.005 1.517 1.00 0.00 O ATOM 545 CB ASN A 36 5.373 8.817 -0.388 1.00 0.00 C ATOM 546 CG ASN A 36 6.560 9.721 -0.684 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.744 10.757 -0.053 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.381 9.375 -1.660 1.00 0.00 N ATOM 0 H ASN A 36 3.834 6.938 0.065 1.00 0.00 H new ATOM 0 HA ASN A 36 6.563 7.047 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.823 8.617 -1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.686 9.320 0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.175 9.971 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.221 8.512 -2.179 1.00 0.00 H new ATOM 555 N ASP A 37 5.913 7.614 2.707 1.00 0.00 N ATOM 556 CA ASP A 37 6.519 7.783 4.038 1.00 0.00 C ATOM 557 C ASP A 37 7.678 6.803 4.253 1.00 0.00 C ATOM 558 O ASP A 37 8.617 7.093 4.994 1.00 0.00 O ATOM 559 CB ASP A 37 5.465 7.552 5.132 1.00 0.00 C ATOM 560 CG ASP A 37 6.030 7.755 6.543 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.077 8.920 7.006 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.372 6.767 7.235 1.00 0.00 O ATOM 0 H ASP A 37 4.918 7.393 2.744 1.00 0.00 H new ATOM 0 HA ASP A 37 6.903 8.801 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.629 8.234 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.070 6.540 5.044 1.00 0.00 H new ATOM 567 N ASN A 38 7.620 5.633 3.610 1.00 0.00 N ATOM 568 CA ASN A 38 8.635 4.587 3.685 1.00 0.00 C ATOM 569 C ASN A 38 9.779 4.843 2.691 1.00 0.00 C ATOM 570 O ASN A 38 10.623 3.967 2.546 1.00 0.00 O ATOM 571 CB ASN A 38 8.001 3.191 3.473 1.00 0.00 C ATOM 572 CG ASN A 38 7.585 2.489 4.754 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.294 2.508 5.757 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.451 1.805 4.724 1.00 0.00 N ATOM 0 H ASN A 38 6.838 5.383 3.004 1.00 0.00 H new ATOM 0 HA ASN A 38 9.067 4.609 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.127 3.296 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.713 2.559 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.150 1.280 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.878 1.804 3.880 1.00 0.00 H new ATOM 581 N GLY A 39 9.813 5.977 1.971 1.00 0.00 N ATOM 582 CA GLY A 39 10.883 6.285 1.013 1.00 0.00 C ATOM 583 C GLY A 39 10.970 5.222 -0.081 1.00 0.00 C ATOM 584 O GLY A 39 12.046 4.907 -0.590 1.00 0.00 O ATOM 0 H GLY A 39 9.100 6.703 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.701 7.260 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.836 6.349 1.537 1.00 0.00 H new ATOM 588 N VAL A 40 9.809 4.741 -0.508 1.00 0.00 N ATOM 589 CA VAL A 40 9.639 3.677 -1.478 1.00 0.00 C ATOM 590 C VAL A 40 9.777 4.034 -2.947 1.00 0.00 C ATOM 591 O VAL A 40 9.370 5.102 -3.413 1.00 0.00 O ATOM 592 CB VAL A 40 8.217 3.125 -1.298 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.029 2.562 0.103 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.131 4.192 -1.549 1.00 0.00 C ATOM 0 H VAL A 40 8.919 5.104 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 40 10.455 2.984 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 40 8.103 2.336 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.015 2.177 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.742 1.755 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.195 3.350 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.145 3.748 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.261 5.016 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.218 4.567 -2.569 1.00 0.00 H new ATOM 604 N ASP A 41 10.398 3.102 -3.655 1.00 0.00 N ATOM 605 CA ASP A 41 10.652 3.066 -5.079 1.00 0.00 C ATOM 606 C ASP A 41 10.390 1.605 -5.469 1.00 0.00 C ATOM 607 O ASP A 41 10.918 0.730 -4.787 1.00 0.00 O ATOM 608 CB ASP A 41 12.076 3.543 -5.360 1.00 0.00 C ATOM 609 CG ASP A 41 12.297 3.769 -6.845 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.426 3.543 -7.330 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.374 4.242 -7.542 1.00 0.00 O ATOM 0 H ASP A 41 10.772 2.271 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 41 10.020 3.730 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.266 4.469 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.789 2.805 -4.992 1.00 0.00 H new ATOM 616 N GLY A 42 9.543 1.279 -6.447 1.00 0.00 N ATOM 617 CA GLY A 42 9.282 -0.114 -6.821 1.00 0.00 C ATOM 618 C GLY A 42 7.940 -0.260 -7.536 1.00 0.00 C ATOM 619 O GLY A 42 7.176 0.705 -7.626 1.00 0.00 O ATOM 0 H GLY A 42 9.024 1.963 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.081 -0.474 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.290 -0.739 -5.928 1.00 0.00 H new ATOM 623 N GLU A 43 7.666 -1.465 -8.034 1.00 0.00 N ATOM 624 CA GLU A 43 6.460 -1.831 -8.770 1.00 0.00 C ATOM 625 C GLU A 43 5.396 -2.313 -7.796 1.00 0.00 C ATOM 626 O GLU A 43 5.721 -2.912 -6.767 1.00 0.00 O ATOM 627 CB GLU A 43 6.738 -2.844 -9.891 1.00 0.00 C ATOM 628 CG GLU A 43 7.094 -4.269 -9.445 1.00 0.00 C ATOM 629 CD GLU A 43 7.311 -5.209 -10.639 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.617 -5.085 -11.676 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.151 -6.131 -10.540 1.00 0.00 O ATOM 0 H GLU A 43 8.310 -2.249 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 43 6.083 -0.943 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.858 -2.896 -10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.556 -2.462 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.997 -4.243 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.296 -4.662 -8.815 1.00 0.00 H new ATOM 638 N TRP A 44 4.126 -2.093 -8.139 1.00 0.00 N ATOM 639 CA TRP A 44 2.982 -2.430 -7.310 1.00 0.00 C ATOM 640 C TRP A 44 2.128 -3.573 -7.858 1.00 0.00 C ATOM 641 O TRP A 44 1.667 -3.516 -8.999 1.00 0.00 O ATOM 642 CB TRP A 44 2.140 -1.156 -7.179 1.00 0.00 C ATOM 643 CG TRP A 44 2.777 -0.011 -6.444 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.962 0.573 -6.736 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.260 0.729 -5.300 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.250 1.540 -5.807 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.170 1.783 -4.993 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.102 0.639 -4.503 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.896 2.752 -4.018 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.832 1.593 -3.513 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.711 2.658 -3.280 1.00 0.00 C ATOM 0 H TRP A 44 3.864 -1.664 -9.026 1.00 0.00 H new ATOM 0 HA TRP A 44 3.347 -2.790 -6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.876 -0.816 -8.180 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.209 -1.412 -6.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.589 0.316 -7.577 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.149 2.017 -5.730 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.412 -0.177 -4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.590 3.560 -3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.067 1.506 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.475 3.403 -2.534 1.00 0.00 H new ATOM 662 N THR A 45 1.892 -4.576 -7.008 1.00 0.00 N ATOM 663 CA THR A 45 1.088 -5.774 -7.257 1.00 0.00 C ATOM 664 C THR A 45 -0.002 -5.791 -6.163 1.00 0.00 C ATOM 665 O THR A 45 0.210 -5.204 -5.093 1.00 0.00 O ATOM 666 CB THR A 45 1.994 -7.023 -7.219 1.00 0.00 C ATOM 667 OG1 THR A 45 3.213 -6.820 -7.908 1.00 0.00 O ATOM 668 CG2 THR A 45 1.338 -8.261 -7.828 1.00 0.00 C ATOM 0 H THR A 45 2.283 -4.572 -6.066 1.00 0.00 H new ATOM 0 HA THR A 45 0.619 -5.772 -8.241 1.00 0.00 H new ATOM 0 HB THR A 45 2.175 -7.189 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.757 -7.634 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.027 -9.104 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.428 -8.498 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.091 -8.066 -8.871 1.00 0.00 H new ATOM 676 N TYR A 46 -1.149 -6.449 -6.373 1.00 0.00 N ATOM 677 CA TYR A 46 -2.249 -6.498 -5.400 1.00 0.00 C ATOM 678 C TYR A 46 -2.899 -7.881 -5.305 1.00 0.00 C ATOM 679 O TYR A 46 -2.966 -8.619 -6.291 1.00 0.00 O ATOM 680 CB TYR A 46 -3.270 -5.413 -5.773 1.00 0.00 C ATOM 681 CG TYR A 46 -4.638 -5.486 -5.116 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.800 -5.101 -3.774 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.768 -5.850 -5.875 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.086 -4.990 -3.222 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.058 -5.755 -5.322 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.222 -5.291 -4.000 1.00 0.00 C ATOM 687 OH TYR A 46 -8.465 -5.054 -3.492 1.00 0.00 O ATOM 0 H TYR A 46 -1.342 -6.967 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.847 -6.305 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.833 -4.443 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.413 -5.442 -6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.933 -4.890 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.643 -6.204 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.205 -4.673 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.920 -6.037 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.084 -5.746 -3.806 1.00 0.00 H new ATOM 697 N ASP A 47 -3.364 -8.241 -4.107 1.00 0.00 N ATOM 698 CA ASP A 47 -4.039 -9.488 -3.749 1.00 0.00 C ATOM 699 C ASP A 47 -5.371 -9.098 -3.123 1.00 0.00 C ATOM 700 O ASP A 47 -5.424 -8.772 -1.934 1.00 0.00 O ATOM 701 CB ASP A 47 -3.226 -10.319 -2.749 1.00 0.00 C ATOM 702 CG ASP A 47 -2.236 -11.263 -3.411 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.646 -12.079 -4.265 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.042 -11.229 -3.032 1.00 0.00 O ATOM 0 H ASP A 47 -3.271 -7.621 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.166 -10.104 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.685 -9.646 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.910 -10.898 -2.129 1.00 0.00 H new ATOM 709 N ASP A 48 -6.458 -9.123 -3.896 1.00 0.00 N ATOM 710 CA ASP A 48 -7.786 -8.746 -3.403 1.00 0.00 C ATOM 711 C ASP A 48 -8.284 -9.605 -2.236 1.00 0.00 C ATOM 712 O ASP A 48 -9.050 -9.122 -1.399 1.00 0.00 O ATOM 713 CB ASP A 48 -8.827 -8.757 -4.529 1.00 0.00 C ATOM 714 CG ASP A 48 -10.149 -8.210 -3.993 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.127 -8.984 -3.886 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.172 -7.036 -3.554 1.00 0.00 O ATOM 0 H ASP A 48 -6.444 -9.403 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.666 -7.731 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.481 -8.151 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.964 -9.771 -4.904 1.00 0.00 H new ATOM 721 N ALA A 49 -7.797 -10.841 -2.108 1.00 0.00 N ATOM 722 CA ALA A 49 -8.202 -11.761 -1.047 1.00 0.00 C ATOM 723 C ALA A 49 -7.973 -11.184 0.358 1.00 0.00 C ATOM 724 O ALA A 49 -8.790 -11.408 1.253 1.00 0.00 O ATOM 725 CB ALA A 49 -7.442 -13.077 -1.222 1.00 0.00 C ATOM 0 H ALA A 49 -7.104 -11.234 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.275 -11.929 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.735 -13.773 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.679 -13.507 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.370 -12.889 -1.160 1.00 0.00 H new ATOM 731 N THR A 50 -6.912 -10.397 0.538 1.00 0.00 N ATOM 732 CA THR A 50 -6.524 -9.756 1.798 1.00 0.00 C ATOM 733 C THR A 50 -6.333 -8.237 1.610 1.00 0.00 C ATOM 734 O THR A 50 -6.067 -7.519 2.573 1.00 0.00 O ATOM 735 CB THR A 50 -5.299 -10.505 2.380 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.674 -9.802 3.433 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.234 -10.859 1.335 1.00 0.00 C ATOM 0 H THR A 50 -6.270 -10.178 -0.224 1.00 0.00 H new ATOM 0 HA THR A 50 -7.319 -9.834 2.539 1.00 0.00 H new ATOM 0 HB THR A 50 -5.727 -11.431 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.978 -9.217 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.409 -11.381 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.673 -11.502 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.863 -9.946 0.870 1.00 0.00 H new ATOM 745 N LYS A 51 -6.545 -7.732 0.393 1.00 0.00 N ATOM 746 CA LYS A 51 -6.447 -6.396 -0.125 1.00 0.00 C ATOM 747 C LYS A 51 -5.040 -5.854 0.053 1.00 0.00 C ATOM 748 O LYS A 51 -4.865 -4.646 0.130 1.00 0.00 O ATOM 749 CB LYS A 51 -7.626 -5.552 0.364 1.00 0.00 C ATOM 750 CG LYS A 51 -8.945 -6.097 -0.200 1.00 0.00 C ATOM 751 CD LYS A 51 -10.156 -5.206 0.101 1.00 0.00 C ATOM 752 CE LYS A 51 -11.287 -5.393 -0.912 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.582 -6.814 -1.158 1.00 0.00 N ATOM 0 H LYS A 51 -6.833 -8.365 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.567 -6.367 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.659 -5.558 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.492 -4.515 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.849 -6.212 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.124 -7.090 0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.528 -5.429 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.843 -4.162 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.185 -4.895 -0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.015 -4.912 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.597 -6.929 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.034 -7.145 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.323 -7.372 -0.320 1.00 0.00 H new ATOM 767 N THR A 52 -4.067 -6.755 0.141 1.00 0.00 N ATOM 768 CA THR A 52 -2.669 -6.470 0.321 1.00 0.00 C ATOM 769 C THR A 52 -2.072 -5.960 -0.979 1.00 0.00 C ATOM 770 O THR A 52 -2.189 -6.602 -2.023 1.00 0.00 O ATOM 771 CB THR A 52 -1.961 -7.739 0.816 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.611 -8.180 1.991 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.498 -7.477 1.165 1.00 0.00 C ATOM 0 H THR A 52 -4.255 -7.756 0.084 1.00 0.00 H new ATOM 0 HA THR A 52 -2.535 -5.688 1.069 1.00 0.00 H new ATOM 0 HB THR A 52 -2.001 -8.481 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.173 -8.992 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.035 -8.401 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.028 -7.116 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.441 -6.726 1.953 1.00 0.00 H new ATOM 781 N PHE A 53 -1.420 -4.810 -0.895 1.00 0.00 N ATOM 782 CA PHE A 53 -0.735 -4.148 -1.980 1.00 0.00 C ATOM 783 C PHE A 53 0.737 -4.307 -1.622 1.00 0.00 C ATOM 784 O PHE A 53 1.205 -3.708 -0.648 1.00 0.00 O ATOM 785 CB PHE A 53 -1.149 -2.683 -2.024 1.00 0.00 C ATOM 786 CG PHE A 53 -2.516 -2.415 -2.599 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.658 -2.217 -3.984 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.634 -2.318 -1.755 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.924 -1.945 -4.526 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.895 -2.037 -2.302 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.044 -1.850 -3.687 1.00 0.00 C ATOM 0 H PHE A 53 -1.355 -4.291 -0.019 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.961 -4.558 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.115 -2.283 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.413 -2.132 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.794 -2.274 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.524 -2.459 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.036 -1.809 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.757 -1.964 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.017 -1.634 -4.103 1.00 0.00 H new ATOM 801 N THR A 54 1.460 -5.115 -2.388 1.00 0.00 N ATOM 802 CA THR A 54 2.871 -5.408 -2.182 1.00 0.00 C ATOM 803 C THR A 54 3.750 -4.581 -3.125 1.00 0.00 C ATOM 804 O THR A 54 3.389 -4.407 -4.296 1.00 0.00 O ATOM 805 CB THR A 54 3.057 -6.915 -2.438 1.00 0.00 C ATOM 806 OG1 THR A 54 2.611 -7.250 -3.741 1.00 0.00 O ATOM 807 CG2 THR A 54 2.260 -7.801 -1.479 1.00 0.00 C ATOM 0 H THR A 54 1.067 -5.599 -3.195 1.00 0.00 H new ATOM 0 HA THR A 54 3.173 -5.147 -1.168 1.00 0.00 H new ATOM 0 HB THR A 54 4.123 -7.097 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.736 -8.210 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.439 -8.849 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.575 -7.604 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.197 -7.582 -1.580 1.00 0.00 H new ATOM 815 N VAL A 55 4.906 -4.111 -2.661 1.00 0.00 N ATOM 816 CA VAL A 55 5.878 -3.323 -3.423 1.00 0.00 C ATOM 817 C VAL A 55 7.231 -3.995 -3.267 1.00 0.00 C ATOM 818 O VAL A 55 7.542 -4.487 -2.181 1.00 0.00 O ATOM 819 CB VAL A 55 5.863 -1.842 -3.006 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.141 -1.068 -3.379 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.688 -1.173 -3.721 1.00 0.00 C ATOM 0 H VAL A 55 5.206 -4.275 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 55 5.620 -3.302 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 55 5.784 -1.817 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.049 -0.033 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.000 -1.528 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.280 -1.094 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.648 -0.119 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.819 -1.263 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.758 -1.660 -3.427 1.00 0.00 H new ATOM 831 N THR A 56 7.997 -4.070 -4.354 1.00 0.00 N ATOM 832 CA THR A 56 9.307 -4.695 -4.371 1.00 0.00 C ATOM 833 C THR A 56 10.356 -3.744 -4.950 1.00 0.00 C ATOM 834 O THR A 56 10.358 -3.531 -6.164 1.00 0.00 O ATOM 835 CB THR A 56 9.198 -6.013 -5.162 1.00 0.00 C ATOM 836 OG1 THR A 56 8.655 -5.792 -6.454 1.00 0.00 O ATOM 837 CG2 THR A 56 8.285 -7.017 -4.457 1.00 0.00 C ATOM 0 H THR A 56 7.716 -3.691 -5.258 1.00 0.00 H new ATOM 0 HA THR A 56 9.638 -4.922 -3.358 1.00 0.00 H new ATOM 0 HB THR A 56 10.211 -6.408 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.009 -4.954 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.232 -7.934 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.685 -7.241 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.286 -6.592 -4.356 1.00 0.00 H new ATOM 845 N GLU A 57 11.200 -3.150 -4.099 1.00 0.00 N ATOM 846 CA GLU A 57 12.270 -2.259 -4.553 1.00 0.00 C ATOM 847 C GLU A 57 13.323 -3.147 -5.200 1.00 0.00 C ATOM 848 O GLU A 57 13.808 -2.832 -6.304 1.00 0.00 O ATOM 849 CB GLU A 57 12.870 -1.478 -3.370 1.00 0.00 C ATOM 850 CG GLU A 57 13.940 -0.447 -3.778 1.00 0.00 C ATOM 851 CD GLU A 57 14.965 -0.240 -2.660 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.962 0.809 -1.973 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.799 -1.158 -2.471 1.00 0.00 O ATOM 0 H GLU A 57 11.161 -3.272 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 57 11.891 -1.520 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.067 -0.963 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.311 -2.185 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.447 -0.784 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.461 0.503 -4.016 1.00 0.00 H new