USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.8!) USER MOD Single : A 1 ASN N :NH3+ -123:sc= 0.903 (180deg=-0.191) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 89:sc= 1 USER MOD Single : A 34 ASN : amide:sc= -4.47! C(o=-4.5!,f=-9.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -48:sc= -0.0474! USER MOD Single : A 42 ASN : amide:sc= -4.45! C(o=-4.5!,f=-12!) USER MOD Single : A 43 HIS : no HD1:sc= -18.4! C(o=-18!,f=-20!) USER MOD Single : A 44 SER OG : rot 90:sc= -0.69! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.019) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 7:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.357 12.123 -8.103 1.00 0.00 N ATOM 2 CA ASN A 1 14.880 10.841 -7.546 1.00 0.00 C ATOM 3 C ASN A 1 13.725 9.977 -7.035 1.00 0.00 C ATOM 4 O ASN A 1 13.248 10.164 -5.932 1.00 0.00 O ATOM 5 CB ASN A 1 15.793 11.255 -6.391 1.00 0.00 C ATOM 6 CG ASN A 1 16.788 12.309 -6.880 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.425 13.448 -7.099 1.00 0.00 O ATOM 8 ND2 ASN A 1 18.037 11.976 -7.062 1.00 0.00 N ATOM 0 H1 ASN A 1 14.667 12.224 -9.091 1.00 0.00 H new ATOM 0 H2 ASN A 1 13.318 12.120 -8.065 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.722 12.919 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 1 15.411 10.251 -8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.199 11.654 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 1 16.327 10.386 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 1 18.708 12.672 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 1 18.342 11.020 -6.878 1.00 0.00 H new ATOM 17 N PRO A 2 13.313 9.055 -7.862 1.00 0.00 N ATOM 18 CA PRO A 2 12.200 8.145 -7.498 1.00 0.00 C ATOM 19 C PRO A 2 12.661 7.128 -6.448 1.00 0.00 C ATOM 20 O PRO A 2 13.628 6.418 -6.642 1.00 0.00 O ATOM 21 CB PRO A 2 11.859 7.454 -8.814 1.00 0.00 C ATOM 22 CG PRO A 2 13.112 7.529 -9.629 1.00 0.00 C ATOM 23 CD PRO A 2 13.841 8.777 -9.202 1.00 0.00 C ATOM 0 HA PRO A 2 11.347 8.664 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.557 6.420 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.030 7.952 -9.318 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.731 6.646 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.878 7.564 -10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.920 8.622 -9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.651 9.604 -9.886 1.00 0.00 H new ATOM 31 N LEU A 3 11.978 7.054 -5.340 1.00 0.00 N ATOM 32 CA LEU A 3 12.379 6.083 -4.280 1.00 0.00 C ATOM 33 C LEU A 3 11.148 5.345 -3.745 1.00 0.00 C ATOM 34 O LEU A 3 10.027 5.789 -3.903 1.00 0.00 O ATOM 35 CB LEU A 3 13.014 6.936 -3.181 1.00 0.00 C ATOM 36 CG LEU A 3 14.064 6.111 -2.438 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.270 6.993 -2.108 1.00 0.00 C ATOM 38 CD2 LEU A 3 13.461 5.569 -1.141 1.00 0.00 C ATOM 0 H LEU A 3 11.160 7.623 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 3 13.066 5.324 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.474 7.824 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.249 7.281 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 3 14.384 5.280 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.018 6.403 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.701 7.381 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.951 7.824 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.209 4.980 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.141 6.401 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.602 4.939 -1.374 1.00 0.00 H new ATOM 50 N ILE A 4 11.347 4.220 -3.112 1.00 0.00 N ATOM 51 CA ILE A 4 10.191 3.453 -2.567 1.00 0.00 C ATOM 52 C ILE A 4 9.197 4.401 -1.893 1.00 0.00 C ATOM 53 O ILE A 4 9.580 5.409 -1.331 1.00 0.00 O ATOM 54 CB ILE A 4 10.806 2.484 -1.545 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.119 1.154 -2.235 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.833 2.235 -0.382 1.00 0.00 C ATOM 57 CD1 ILE A 4 9.811 0.468 -2.638 1.00 0.00 C ATOM 0 H ILE A 4 12.262 3.799 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 4 9.639 2.924 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 4 11.720 2.926 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.738 1.326 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 4 11.689 0.510 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.287 1.546 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.612 3.179 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.909 1.803 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.033 -0.479 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.208 0.283 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.259 1.111 -3.323 1.00 0.00 H new ATOM 69 N PRO A 5 7.948 4.030 -1.955 1.00 0.00 N ATOM 70 CA PRO A 5 6.886 4.839 -1.322 1.00 0.00 C ATOM 71 C PRO A 5 6.920 4.649 0.195 1.00 0.00 C ATOM 72 O PRO A 5 7.565 3.754 0.706 1.00 0.00 O ATOM 73 CB PRO A 5 5.599 4.268 -1.905 1.00 0.00 C ATOM 74 CG PRO A 5 5.938 2.867 -2.298 1.00 0.00 C ATOM 75 CD PRO A 5 7.412 2.835 -2.618 1.00 0.00 C ATOM 0 HA PRO A 5 6.992 5.908 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.792 4.288 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.264 4.849 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.705 2.174 -1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.350 2.557 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.882 1.926 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.587 2.863 -3.693 1.00 0.00 H new ATOM 83 N ALA A 6 6.233 5.484 0.914 1.00 0.00 N ATOM 84 CA ALA A 6 6.216 5.362 2.395 1.00 0.00 C ATOM 85 C ALA A 6 5.154 4.350 2.832 1.00 0.00 C ATOM 86 O ALA A 6 5.155 3.877 3.950 1.00 0.00 O ATOM 87 CB ALA A 6 5.867 6.761 2.904 1.00 0.00 C ATOM 0 H ALA A 6 5.678 6.252 0.538 1.00 0.00 H new ATOM 0 HA ALA A 6 7.169 5.011 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.835 6.754 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.624 7.470 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.893 7.058 2.514 1.00 0.00 H new ATOM 93 N ILE A 7 4.240 4.024 1.958 1.00 0.00 N ATOM 94 CA ILE A 7 3.171 3.046 2.325 1.00 0.00 C ATOM 95 C ILE A 7 3.785 1.727 2.810 1.00 0.00 C ATOM 96 O ILE A 7 3.394 1.189 3.827 1.00 0.00 O ATOM 97 CB ILE A 7 2.333 2.830 1.050 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.595 1.486 1.129 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.232 2.822 -0.191 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.866 1.366 2.469 1.00 0.00 C ATOM 0 H ILE A 7 4.186 4.391 1.008 1.00 0.00 H new ATOM 0 HA ILE A 7 2.554 3.419 3.142 1.00 0.00 H new ATOM 0 HB ILE A 7 1.616 3.647 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.881 1.405 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.304 0.666 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.622 2.668 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.753 3.776 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.961 2.016 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.345 0.409 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.589 1.426 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.144 2.177 2.564 1.00 0.00 H new ATOM 112 N TYR A 8 4.733 1.198 2.093 1.00 0.00 N ATOM 113 CA TYR A 8 5.356 -0.089 2.515 1.00 0.00 C ATOM 114 C TYR A 8 5.828 -0.004 3.966 1.00 0.00 C ATOM 115 O TYR A 8 5.944 -1.004 4.648 1.00 0.00 O ATOM 116 CB TYR A 8 6.537 -0.286 1.566 1.00 0.00 C ATOM 117 CG TYR A 8 6.017 -0.441 0.158 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.854 -1.185 -0.079 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.689 0.165 -0.908 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.366 -1.323 -1.382 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.199 0.028 -2.212 1.00 0.00 C ATOM 122 CZ TYR A 8 5.037 -0.716 -2.449 1.00 0.00 C ATOM 123 OH TYR A 8 4.554 -0.851 -3.735 1.00 0.00 O ATOM 0 H TYR A 8 5.105 1.599 1.232 1.00 0.00 H new ATOM 0 HA TYR A 8 4.655 -0.923 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.214 0.566 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.109 -1.168 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.334 -1.652 0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.586 0.739 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.471 -1.898 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.717 0.496 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 8 5.137 -0.367 -4.356 1.00 0.00 H new ATOM 133 N ILE A 9 6.093 1.176 4.449 1.00 0.00 N ATOM 134 CA ILE A 9 6.547 1.306 5.862 1.00 0.00 C ATOM 135 C ILE A 9 5.471 0.760 6.802 1.00 0.00 C ATOM 136 O ILE A 9 4.297 1.010 6.623 1.00 0.00 O ATOM 137 CB ILE A 9 6.754 2.804 6.085 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.871 3.307 5.168 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.143 3.055 7.543 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.061 4.812 5.370 1.00 0.00 C ATOM 0 H ILE A 9 6.016 2.052 3.931 1.00 0.00 H new ATOM 0 HA ILE A 9 7.461 0.745 6.059 1.00 0.00 H new ATOM 0 HB ILE A 9 5.829 3.335 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.800 2.780 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.623 3.098 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.291 4.123 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.349 2.697 8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.067 2.524 7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.857 5.169 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.133 5.331 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.328 5.009 6.408 1.00 0.00 H new ATOM 152 N GLY A 10 5.860 0.007 7.794 1.00 0.00 N ATOM 153 CA GLY A 10 4.847 -0.558 8.727 1.00 0.00 C ATOM 154 C GLY A 10 3.703 -1.140 7.902 1.00 0.00 C ATOM 155 O GLY A 10 2.552 -1.079 8.284 1.00 0.00 O ATOM 0 H GLY A 10 6.829 -0.240 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.296 -1.331 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.475 0.217 9.397 1.00 0.00 H new ATOM 159 N ALA A 11 4.015 -1.694 6.762 1.00 0.00 N ATOM 160 CA ALA A 11 2.939 -2.272 5.900 1.00 0.00 C ATOM 161 C ALA A 11 3.077 -3.792 5.811 1.00 0.00 C ATOM 162 O ALA A 11 3.815 -4.401 6.559 1.00 0.00 O ATOM 163 CB ALA A 11 3.147 -1.633 4.527 1.00 0.00 C ATOM 0 H ALA A 11 4.962 -1.772 6.390 1.00 0.00 H new ATOM 0 HA ALA A 11 1.945 -2.073 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.394 -2.007 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.056 -0.550 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.140 -1.886 4.155 1.00 0.00 H new ATOM 169 N THR A 12 2.371 -4.414 4.902 1.00 0.00 N ATOM 170 CA THR A 12 2.472 -5.899 4.777 1.00 0.00 C ATOM 171 C THR A 12 2.225 -6.328 3.332 1.00 0.00 C ATOM 172 O THR A 12 1.115 -6.617 2.948 1.00 0.00 O ATOM 173 CB THR A 12 1.374 -6.451 5.688 1.00 0.00 C ATOM 174 OG1 THR A 12 1.738 -6.246 7.045 1.00 0.00 O ATOM 175 CG2 THR A 12 1.196 -7.948 5.424 1.00 0.00 C ATOM 0 H THR A 12 1.734 -3.962 4.246 1.00 0.00 H new ATOM 0 HA THR A 12 3.460 -6.267 5.055 1.00 0.00 H new ATOM 0 HB THR A 12 0.437 -5.934 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.034 -6.598 7.629 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.414 -8.341 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.915 -8.103 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.132 -8.467 5.628 1.00 0.00 H new ATOM 183 N VAL A 13 3.248 -6.379 2.528 1.00 0.00 N ATOM 184 CA VAL A 13 3.055 -6.792 1.108 1.00 0.00 C ATOM 185 C VAL A 13 3.039 -8.319 1.001 1.00 0.00 C ATOM 186 O VAL A 13 2.925 -9.020 1.988 1.00 0.00 O ATOM 187 CB VAL A 13 4.257 -6.213 0.355 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.502 -4.772 0.805 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.503 -7.053 0.655 1.00 0.00 C ATOM 0 H VAL A 13 4.208 -6.154 2.790 1.00 0.00 H new ATOM 0 HA VAL A 13 2.110 -6.434 0.699 1.00 0.00 H new ATOM 0 HB VAL A 13 4.051 -6.231 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.358 -4.363 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.619 -4.169 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.704 -4.755 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.358 -6.640 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.704 -7.036 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.335 -8.081 0.334 1.00 0.00 H new ATOM 199 N GLY A 14 3.160 -8.837 -0.188 1.00 0.00 N ATOM 200 CA GLY A 14 3.158 -10.315 -0.360 1.00 0.00 C ATOM 201 C GLY A 14 4.550 -10.774 -0.793 1.00 0.00 C ATOM 202 O GLY A 14 5.513 -10.044 -0.663 1.00 0.00 O ATOM 0 H GLY A 14 3.260 -8.300 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.876 -10.801 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.418 -10.605 -1.106 1.00 0.00 H new ATOM 206 N PRO A 15 4.609 -11.974 -1.299 1.00 0.00 N ATOM 207 CA PRO A 15 5.897 -12.542 -1.762 1.00 0.00 C ATOM 208 C PRO A 15 6.332 -11.877 -3.070 1.00 0.00 C ATOM 209 O PRO A 15 7.476 -11.500 -3.235 1.00 0.00 O ATOM 210 CB PRO A 15 5.579 -14.019 -1.981 1.00 0.00 C ATOM 211 CG PRO A 15 4.105 -14.065 -2.230 1.00 0.00 C ATOM 212 CD PRO A 15 3.492 -12.907 -1.484 1.00 0.00 C ATOM 0 HA PRO A 15 6.713 -12.388 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.135 -14.421 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.851 -14.615 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.892 -13.992 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.686 -15.010 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.681 -12.451 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.074 -13.224 -0.529 1.00 0.00 H new ATOM 220 N SER A 16 5.429 -11.728 -3.999 1.00 0.00 N ATOM 221 CA SER A 16 5.793 -11.085 -5.295 1.00 0.00 C ATOM 222 C SER A 16 6.118 -9.604 -5.075 1.00 0.00 C ATOM 223 O SER A 16 7.132 -9.107 -5.525 1.00 0.00 O ATOM 224 CB SER A 16 4.554 -11.238 -6.174 1.00 0.00 C ATOM 225 OG SER A 16 4.177 -12.607 -6.220 1.00 0.00 O ATOM 0 H SER A 16 4.456 -12.023 -3.918 1.00 0.00 H new ATOM 0 HA SER A 16 6.673 -11.539 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.736 -10.637 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.760 -10.872 -7.180 1.00 0.00 H new ATOM 0 HG SER A 16 3.381 -12.708 -6.782 1.00 0.00 H new ATOM 231 N VAL A 17 5.267 -8.898 -4.383 1.00 0.00 N ATOM 232 CA VAL A 17 5.531 -7.453 -4.132 1.00 0.00 C ATOM 233 C VAL A 17 6.859 -7.289 -3.392 1.00 0.00 C ATOM 234 O VAL A 17 7.691 -6.488 -3.763 1.00 0.00 O ATOM 235 CB VAL A 17 4.366 -6.979 -3.263 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.574 -5.512 -2.880 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.058 -7.121 -4.043 1.00 0.00 C ATOM 0 H VAL A 17 4.402 -9.258 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 17 5.605 -6.877 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 17 4.319 -7.586 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.742 -5.176 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.505 -5.410 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.623 -4.904 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.227 -6.783 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.106 -6.515 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.907 -8.166 -4.314 1.00 0.00 H new ATOM 247 N TRP A 18 7.067 -8.047 -2.352 1.00 0.00 N ATOM 248 CA TRP A 18 8.347 -7.936 -1.596 1.00 0.00 C ATOM 249 C TRP A 18 9.528 -8.026 -2.564 1.00 0.00 C ATOM 250 O TRP A 18 10.336 -7.123 -2.663 1.00 0.00 O ATOM 251 CB TRP A 18 8.350 -9.126 -0.639 1.00 0.00 C ATOM 252 CG TRP A 18 9.507 -9.008 0.300 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.808 -9.122 -0.054 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.493 -8.756 1.734 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.593 -8.958 1.073 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.829 -8.729 2.200 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.461 -8.551 2.668 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.131 -8.507 3.544 1.00 0.00 C ATOM 259 CZ3 TRP A 18 8.762 -8.326 4.022 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.095 -8.304 4.458 1.00 0.00 C ATOM 0 H TRP A 18 6.408 -8.738 -1.993 1.00 0.00 H new ATOM 0 HA TRP A 18 8.435 -6.989 -1.063 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.415 -9.158 -0.079 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.417 -10.058 -1.201 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.174 -9.310 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.612 -9.001 1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.431 -8.567 2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.159 -8.492 3.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.962 -8.169 4.731 1.00 0.00 H new ATOM 0 HH2 TRP A 18 10.320 -8.130 5.500 1.00 0.00 H new ATOM 271 N ALA A 19 9.633 -9.111 -3.281 1.00 0.00 N ATOM 272 CA ALA A 19 10.759 -9.260 -4.246 1.00 0.00 C ATOM 273 C ALA A 19 10.930 -7.975 -5.056 1.00 0.00 C ATOM 274 O ALA A 19 12.033 -7.542 -5.329 1.00 0.00 O ATOM 275 CB ALA A 19 10.352 -10.419 -5.156 1.00 0.00 C ATOM 0 H ALA A 19 8.988 -9.900 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 19 11.709 -9.451 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.133 -10.591 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.214 -11.320 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.419 -10.173 -5.663 1.00 0.00 H new ATOM 281 N TYR A 20 9.847 -7.361 -5.440 1.00 0.00 N ATOM 282 CA TYR A 20 9.945 -6.099 -6.230 1.00 0.00 C ATOM 283 C TYR A 20 10.617 -5.006 -5.396 1.00 0.00 C ATOM 284 O TYR A 20 11.681 -4.522 -5.727 1.00 0.00 O ATOM 285 CB TYR A 20 8.499 -5.717 -6.544 1.00 0.00 C ATOM 286 CG TYR A 20 8.484 -4.514 -7.455 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.601 -4.683 -8.840 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.354 -3.228 -6.917 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.586 -3.567 -9.686 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.342 -2.112 -7.761 1.00 0.00 C ATOM 291 CZ TYR A 20 8.457 -2.282 -9.146 1.00 0.00 C ATOM 292 OH TYR A 20 8.445 -1.182 -9.980 1.00 0.00 O ATOM 0 H TYR A 20 8.898 -7.677 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 20 10.541 -6.222 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.986 -6.553 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.962 -5.495 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.703 -5.674 -9.256 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.263 -3.097 -5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.674 -3.698 -10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.244 -1.120 -7.344 1.00 0.00 H new ATOM 0 HH TYR A 20 8.347 -0.367 -9.445 1.00 0.00 H new ATOM 302 N LEU A 21 9.999 -4.617 -4.316 1.00 0.00 N ATOM 303 CA LEU A 21 10.592 -3.558 -3.453 1.00 0.00 C ATOM 304 C LEU A 21 12.097 -3.786 -3.295 1.00 0.00 C ATOM 305 O LEU A 21 12.895 -2.911 -3.563 1.00 0.00 O ATOM 306 CB LEU A 21 9.878 -3.714 -2.111 1.00 0.00 C ATOM 307 CG LEU A 21 9.975 -2.409 -1.318 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.514 -2.651 0.119 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.424 -1.919 -1.311 1.00 0.00 C ATOM 0 H LEU A 21 9.106 -4.988 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 21 10.469 -2.559 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.832 -3.975 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.326 -4.530 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 21 9.340 -1.655 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.583 -1.722 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.481 -2.998 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.149 -3.406 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.491 -0.989 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.061 -2.672 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.754 -1.745 -2.335 1.00 0.00 H new ATOM 321 N VAL A 22 12.490 -4.952 -2.862 1.00 0.00 N ATOM 322 CA VAL A 22 13.945 -5.228 -2.688 1.00 0.00 C ATOM 323 C VAL A 22 14.716 -4.793 -3.935 1.00 0.00 C ATOM 324 O VAL A 22 15.701 -4.088 -3.856 1.00 0.00 O ATOM 325 CB VAL A 22 14.044 -6.742 -2.496 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.516 -7.159 -2.483 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.396 -7.130 -1.166 1.00 0.00 C ATOM 0 H VAL A 22 11.869 -5.724 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 22 14.370 -4.684 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 22 13.529 -7.246 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.587 -8.238 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.981 -6.882 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.030 -6.655 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.466 -8.209 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.912 -6.626 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.347 -6.832 -1.172 1.00 0.00 H new ATOM 337 N ALA A 23 14.271 -5.210 -5.085 1.00 0.00 N ATOM 338 CA ALA A 23 14.973 -4.825 -6.343 1.00 0.00 C ATOM 339 C ALA A 23 15.180 -3.308 -6.389 1.00 0.00 C ATOM 340 O ALA A 23 16.235 -2.826 -6.751 1.00 0.00 O ATOM 341 CB ALA A 23 14.042 -5.274 -7.469 1.00 0.00 C ATOM 0 H ALA A 23 13.450 -5.802 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 23 15.959 -5.283 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.489 -5.025 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.890 -6.352 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.083 -4.766 -7.372 1.00 0.00 H new ATOM 347 N LEU A 24 14.179 -2.552 -6.027 1.00 0.00 N ATOM 348 CA LEU A 24 14.313 -1.071 -6.050 1.00 0.00 C ATOM 349 C LEU A 24 15.340 -0.616 -5.010 1.00 0.00 C ATOM 350 O LEU A 24 16.081 0.324 -5.222 1.00 0.00 O ATOM 351 CB LEU A 24 12.922 -0.550 -5.695 1.00 0.00 C ATOM 352 CG LEU A 24 12.668 0.770 -6.423 1.00 0.00 C ATOM 353 CD1 LEU A 24 12.493 0.503 -7.919 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.397 1.420 -5.871 1.00 0.00 C ATOM 0 H LEU A 24 13.272 -2.900 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 24 14.657 -0.699 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.166 -1.283 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.841 -0.404 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 24 13.516 1.438 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.312 1.444 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.397 0.039 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.645 -0.165 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.215 2.361 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.550 0.751 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.519 1.611 -4.805 1.00 0.00 H new ATOM 366 N VAL A 25 15.387 -1.277 -3.887 1.00 0.00 N ATOM 367 CA VAL A 25 16.365 -0.887 -2.828 1.00 0.00 C ATOM 368 C VAL A 25 17.177 -2.114 -2.384 1.00 0.00 C ATOM 369 O VAL A 25 18.229 -2.395 -2.922 1.00 0.00 O ATOM 370 CB VAL A 25 15.515 -0.322 -1.674 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.204 -1.104 -1.542 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.293 -0.409 -0.360 1.00 0.00 C ATOM 0 H VAL A 25 14.791 -2.071 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 25 17.087 -0.149 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 25 15.286 0.721 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.616 -0.692 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.638 -1.025 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.424 -2.152 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.685 -0.007 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.536 -1.450 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.213 0.169 -0.443 1.00 0.00 H new ATOM 382 N GLY A 26 16.704 -2.845 -1.409 1.00 0.00 N ATOM 383 CA GLY A 26 17.458 -4.042 -0.942 1.00 0.00 C ATOM 384 C GLY A 26 16.805 -4.590 0.328 1.00 0.00 C ATOM 385 O GLY A 26 15.966 -3.949 0.931 1.00 0.00 O ATOM 0 H GLY A 26 15.829 -2.664 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.466 -4.806 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.497 -3.777 -0.745 1.00 0.00 H new ATOM 389 N ALA A 27 17.178 -5.771 0.739 1.00 0.00 N ATOM 390 CA ALA A 27 16.574 -6.358 1.966 1.00 0.00 C ATOM 391 C ALA A 27 16.909 -5.503 3.191 1.00 0.00 C ATOM 392 O ALA A 27 16.275 -5.607 4.223 1.00 0.00 O ATOM 393 CB ALA A 27 17.205 -7.745 2.094 1.00 0.00 C ATOM 0 H ALA A 27 17.876 -6.354 0.277 1.00 0.00 H new ATOM 0 HA ALA A 27 15.487 -6.406 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.810 -8.244 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.969 -8.335 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.287 -7.646 2.187 1.00 0.00 H new ATOM 399 N ALA A 28 17.898 -4.658 3.091 1.00 0.00 N ATOM 400 CA ALA A 28 18.264 -3.805 4.251 1.00 0.00 C ATOM 401 C ALA A 28 17.204 -2.726 4.458 1.00 0.00 C ATOM 402 O ALA A 28 16.528 -2.692 5.466 1.00 0.00 O ATOM 403 CB ALA A 28 19.609 -3.181 3.880 1.00 0.00 C ATOM 0 H ALA A 28 18.467 -4.523 2.255 1.00 0.00 H new ATOM 0 HA ALA A 28 18.328 -4.371 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.946 -2.535 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.343 -3.970 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.498 -2.593 2.969 1.00 0.00 H new ATOM 409 N ALA A 29 17.045 -1.848 3.507 1.00 0.00 N ATOM 410 CA ALA A 29 16.015 -0.783 3.653 1.00 0.00 C ATOM 411 C ALA A 29 14.633 -1.427 3.749 1.00 0.00 C ATOM 412 O ALA A 29 13.698 -0.847 4.265 1.00 0.00 O ATOM 413 CB ALA A 29 16.127 0.064 2.386 1.00 0.00 C ATOM 0 H ALA A 29 17.581 -1.822 2.639 1.00 0.00 H new ATOM 0 HA ALA A 29 16.160 -0.179 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.396 0.872 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.130 0.485 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.935 -0.560 1.513 1.00 0.00 H new ATOM 419 N VAL A 30 14.502 -2.628 3.257 1.00 0.00 N ATOM 420 CA VAL A 30 13.186 -3.319 3.318 1.00 0.00 C ATOM 421 C VAL A 30 12.902 -3.778 4.751 1.00 0.00 C ATOM 422 O VAL A 30 11.767 -3.835 5.181 1.00 0.00 O ATOM 423 CB VAL A 30 13.326 -4.524 2.388 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.180 -5.505 2.645 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.274 -4.053 0.933 1.00 0.00 C ATOM 0 H VAL A 30 15.251 -3.160 2.815 1.00 0.00 H new ATOM 0 HA VAL A 30 12.363 -2.670 3.020 1.00 0.00 H new ATOM 0 HB VAL A 30 14.278 -5.019 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.281 -6.364 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.214 -5.841 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.228 -5.010 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.374 -4.912 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.322 -3.557 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.090 -3.354 0.747 1.00 0.00 H new ATOM 435 N THR A 31 13.925 -4.106 5.494 1.00 0.00 N ATOM 436 CA THR A 31 13.711 -4.562 6.898 1.00 0.00 C ATOM 437 C THR A 31 13.685 -3.360 7.847 1.00 0.00 C ATOM 438 O THR A 31 13.073 -3.398 8.896 1.00 0.00 O ATOM 439 CB THR A 31 14.905 -5.465 7.209 1.00 0.00 C ATOM 440 OG1 THR A 31 14.845 -6.625 6.391 1.00 0.00 O ATOM 441 CG2 THR A 31 14.868 -5.875 8.682 1.00 0.00 C ATOM 0 H THR A 31 14.898 -4.078 5.190 1.00 0.00 H new ATOM 0 HA THR A 31 12.762 -5.085 7.022 1.00 0.00 H new ATOM 0 HB THR A 31 15.831 -4.925 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.312 -6.454 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.720 -6.519 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.915 -4.984 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.943 -6.415 8.886 1.00 0.00 H new ATOM 449 N ALA A 32 14.343 -2.292 7.486 1.00 0.00 N ATOM 450 CA ALA A 32 14.353 -1.090 8.367 1.00 0.00 C ATOM 451 C ALA A 32 13.047 -0.307 8.204 1.00 0.00 C ATOM 452 O ALA A 32 12.625 0.409 9.091 1.00 0.00 O ATOM 453 CB ALA A 32 15.543 -0.258 7.890 1.00 0.00 C ATOM 0 H ALA A 32 14.874 -2.200 6.620 1.00 0.00 H new ATOM 0 HA ALA A 32 14.438 -1.350 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.618 0.648 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.459 -0.840 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.402 0.012 6.844 1.00 0.00 H new ATOM 459 N ALA A 33 12.406 -0.437 7.075 1.00 0.00 N ATOM 460 CA ALA A 33 11.128 0.299 6.855 1.00 0.00 C ATOM 461 C ALA A 33 9.955 -0.477 7.462 1.00 0.00 C ATOM 462 O ALA A 33 8.811 -0.116 7.294 1.00 0.00 O ATOM 463 CB ALA A 33 10.982 0.391 5.336 1.00 0.00 C ATOM 0 H ALA A 33 12.711 -1.020 6.296 1.00 0.00 H new ATOM 0 HA ALA A 33 11.132 1.282 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.062 0.921 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.833 0.930 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.946 -0.613 4.912 1.00 0.00 H new ATOM 469 N ASN A 34 10.232 -1.538 8.165 1.00 0.00 N ATOM 470 CA ASN A 34 9.132 -2.336 8.784 1.00 0.00 C ATOM 471 C ASN A 34 8.156 -2.835 7.710 1.00 0.00 C ATOM 472 O ASN A 34 7.083 -2.288 7.512 1.00 0.00 O ATOM 473 CB ASN A 34 8.436 -1.378 9.752 1.00 0.00 C ATOM 474 CG ASN A 34 7.234 -2.078 10.385 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.819 -3.128 9.935 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.650 -1.538 11.420 1.00 0.00 N ATOM 0 H ASN A 34 11.173 -1.890 8.340 1.00 0.00 H new ATOM 0 HA ASN A 34 9.508 -3.222 9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.133 -1.057 10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.112 -0.482 9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.847 -1.997 11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.997 -0.657 11.799 1.00 0.00 H new ATOM 483 N ILE A 35 8.521 -3.883 7.021 1.00 0.00 N ATOM 484 CA ILE A 35 7.627 -4.442 5.969 1.00 0.00 C ATOM 485 C ILE A 35 7.251 -5.881 6.331 1.00 0.00 C ATOM 486 O ILE A 35 8.081 -6.656 6.766 1.00 0.00 O ATOM 487 CB ILE A 35 8.453 -4.409 4.682 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.590 -2.961 4.205 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.753 -5.237 3.602 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.407 -2.924 2.913 1.00 0.00 C ATOM 0 H ILE A 35 9.405 -4.377 7.143 1.00 0.00 H new ATOM 0 HA ILE A 35 6.700 -3.879 5.864 1.00 0.00 H new ATOM 0 HB ILE A 35 9.442 -4.826 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.604 -2.528 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.076 -2.359 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.343 -5.213 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.653 -6.268 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.764 -4.821 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.504 -1.893 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.397 -3.341 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.902 -3.512 2.146 1.00 0.00 H new ATOM 502 N ARG A 36 6.012 -6.244 6.167 1.00 0.00 N ATOM 503 CA ARG A 36 5.594 -7.631 6.518 1.00 0.00 C ATOM 504 C ARG A 36 5.264 -8.429 5.255 1.00 0.00 C ATOM 505 O ARG A 36 4.845 -7.883 4.251 1.00 0.00 O ATOM 506 CB ARG A 36 4.348 -7.462 7.386 1.00 0.00 C ATOM 507 CG ARG A 36 4.765 -7.321 8.851 1.00 0.00 C ATOM 508 CD ARG A 36 4.090 -6.089 9.458 1.00 0.00 C ATOM 509 NE ARG A 36 3.511 -6.563 10.745 1.00 0.00 N ATOM 510 CZ ARG A 36 2.978 -5.709 11.575 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.508 -4.526 11.723 1.00 0.00 N ATOM 512 NH2 ARG A 36 1.917 -6.038 12.259 1.00 0.00 N ATOM 0 H ARG A 36 5.271 -5.643 5.806 1.00 0.00 H new ATOM 0 HA ARG A 36 6.383 -8.177 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.787 -6.582 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.688 -8.321 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.483 -8.215 9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.849 -7.228 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.808 -5.285 9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.316 -5.697 8.798 1.00 0.00 H new ATOM 0 HE ARG A 36 3.531 -7.556 10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.339 -4.269 11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.092 -3.858 12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.504 -6.963 12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.501 -5.370 12.908 1.00 0.00 H new ATOM 526 N ARG A 37 5.446 -9.720 5.304 1.00 0.00 N ATOM 527 CA ARG A 37 5.144 -10.567 4.116 1.00 0.00 C ATOM 528 C ARG A 37 3.789 -11.255 4.298 1.00 0.00 C ATOM 529 O ARG A 37 3.428 -11.656 5.387 1.00 0.00 O ATOM 530 CB ARG A 37 6.266 -11.603 4.073 1.00 0.00 C ATOM 531 CG ARG A 37 7.332 -11.163 3.068 1.00 0.00 C ATOM 532 CD ARG A 37 7.870 -12.388 2.326 1.00 0.00 C ATOM 533 NE ARG A 37 9.348 -12.210 2.307 1.00 0.00 N ATOM 534 CZ ARG A 37 10.117 -13.184 1.904 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.232 -14.266 2.626 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.769 -13.079 0.779 1.00 0.00 N ATOM 0 H ARG A 37 5.792 -10.226 6.119 1.00 0.00 H new ATOM 0 HA ARG A 37 5.090 -9.987 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.709 -11.715 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.865 -12.577 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.907 -10.453 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.144 -10.651 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.590 -13.311 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.467 -12.446 1.315 1.00 0.00 H new ATOM 0 HE ARG A 37 9.759 -11.327 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.721 -14.350 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.833 -15.028 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.678 -12.235 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.370 -13.841 0.465 1.00 0.00 H new ATOM 550 N ALA A 38 3.037 -11.395 3.243 1.00 0.00 N ATOM 551 CA ALA A 38 1.709 -12.058 3.361 1.00 0.00 C ATOM 552 C ALA A 38 1.657 -13.302 2.471 1.00 0.00 C ATOM 553 O ALA A 38 2.333 -13.385 1.465 1.00 0.00 O ATOM 554 CB ALA A 38 0.703 -11.010 2.886 1.00 0.00 C ATOM 0 H ALA A 38 3.284 -11.079 2.305 1.00 0.00 H new ATOM 0 HA ALA A 38 1.500 -12.391 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.305 -11.421 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.770 -10.127 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.925 -10.733 1.855 1.00 0.00 H new ATOM 560 N SER A 39 0.862 -14.271 2.835 1.00 0.00 N ATOM 561 CA SER A 39 0.769 -15.512 2.010 1.00 0.00 C ATOM 562 C SER A 39 0.726 -15.156 0.522 1.00 0.00 C ATOM 563 O SER A 39 1.128 -15.929 -0.323 1.00 0.00 O ATOM 564 CB SER A 39 -0.537 -16.177 2.441 1.00 0.00 C ATOM 565 OG SER A 39 -0.336 -16.849 3.677 1.00 0.00 O ATOM 0 H SER A 39 0.273 -14.258 3.667 1.00 0.00 H new ATOM 0 HA SER A 39 1.627 -16.169 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.323 -15.429 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.868 -16.883 1.679 1.00 0.00 H new ATOM 0 HG SER A 39 -1.173 -17.275 3.957 1.00 0.00 H new ATOM 571 N SER A 40 0.241 -13.990 0.198 1.00 0.00 N ATOM 572 CA SER A 40 0.171 -13.582 -1.234 1.00 0.00 C ATOM 573 C SER A 40 -0.033 -12.069 -1.343 1.00 0.00 C ATOM 574 O SER A 40 -0.046 -11.363 -0.355 1.00 0.00 O ATOM 575 CB SER A 40 -1.036 -14.329 -1.799 1.00 0.00 C ATOM 576 OG SER A 40 -1.073 -15.641 -1.257 1.00 0.00 O ATOM 0 H SER A 40 -0.110 -13.301 0.863 1.00 0.00 H new ATOM 0 HA SER A 40 1.086 -13.818 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.955 -13.796 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.974 -14.374 -2.886 1.00 0.00 H new ATOM 0 HG SER A 40 -0.187 -16.052 -1.334 1.00 0.00 H new ATOM 582 N ASP A 41 -0.194 -11.568 -2.536 1.00 0.00 N ATOM 583 CA ASP A 41 -0.400 -10.102 -2.707 1.00 0.00 C ATOM 584 C ASP A 41 -1.691 -9.666 -2.010 1.00 0.00 C ATOM 585 O ASP A 41 -1.946 -8.492 -1.832 1.00 0.00 O ATOM 586 CB ASP A 41 -0.507 -9.891 -4.218 1.00 0.00 C ATOM 587 CG ASP A 41 0.888 -9.668 -4.805 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.833 -10.216 -4.261 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.989 -8.952 -5.788 1.00 0.00 O ATOM 0 H ASP A 41 -0.192 -12.110 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 41 0.409 -9.516 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.974 -10.758 -4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.144 -9.033 -4.431 1.00 0.00 H new ATOM 594 N ASN A 42 -2.507 -10.605 -1.615 1.00 0.00 N ATOM 595 CA ASN A 42 -3.783 -10.246 -0.931 1.00 0.00 C ATOM 596 C ASN A 42 -3.598 -10.269 0.591 1.00 0.00 C ATOM 597 O ASN A 42 -3.556 -11.317 1.203 1.00 0.00 O ATOM 598 CB ASN A 42 -4.779 -11.323 -1.366 1.00 0.00 C ATOM 599 CG ASN A 42 -6.089 -11.149 -0.594 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.165 -10.361 0.327 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.131 -11.856 -0.935 1.00 0.00 N ATOM 0 H ASN A 42 -2.346 -11.605 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.123 -9.244 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.964 -11.251 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.364 -12.314 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.009 -11.747 -0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.067 -12.518 -1.709 1.00 0.00 H new ATOM 608 N HIS A 43 -3.487 -9.120 1.207 1.00 0.00 N ATOM 609 CA HIS A 43 -3.307 -9.083 2.687 1.00 0.00 C ATOM 610 C HIS A 43 -4.072 -7.906 3.292 1.00 0.00 C ATOM 611 O HIS A 43 -4.735 -7.160 2.601 1.00 0.00 O ATOM 612 CB HIS A 43 -1.805 -8.906 2.914 1.00 0.00 C ATOM 613 CG HIS A 43 -1.245 -7.899 1.942 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.169 -6.543 2.233 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.699 -8.044 0.692 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.587 -5.933 1.180 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.285 -6.805 0.213 1.00 0.00 N ATOM 0 H HIS A 43 -3.513 -8.209 0.749 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.687 -9.989 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.621 -8.576 3.936 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.296 -9.862 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.605 -8.979 0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.390 -4.873 1.125 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.155 -6.605 -0.685 1.00 0.00 H new ATOM 625 N SER A 44 -3.979 -7.735 4.582 1.00 0.00 N ATOM 626 CA SER A 44 -4.693 -6.605 5.240 1.00 0.00 C ATOM 627 C SER A 44 -3.769 -5.391 5.342 1.00 0.00 C ATOM 628 O SER A 44 -2.572 -5.523 5.505 1.00 0.00 O ATOM 629 CB SER A 44 -5.050 -7.118 6.633 1.00 0.00 C ATOM 630 OG SER A 44 -6.446 -6.961 6.848 1.00 0.00 O ATOM 0 H SER A 44 -3.438 -8.330 5.210 1.00 0.00 H new ATOM 0 HA SER A 44 -5.576 -6.293 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.771 -8.167 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.490 -6.569 7.390 1.00 0.00 H new ATOM 0 HG SER A 44 -6.915 -7.769 6.553 1.00 0.00 H new ATOM 636 N CYS A 45 -4.312 -4.209 5.257 1.00 0.00 N ATOM 637 CA CYS A 45 -3.458 -2.994 5.359 1.00 0.00 C ATOM 638 C CYS A 45 -4.133 -1.944 6.238 1.00 0.00 C ATOM 639 O CYS A 45 -5.233 -2.137 6.732 1.00 0.00 O ATOM 640 CB CYS A 45 -3.317 -2.477 3.934 1.00 0.00 C ATOM 641 SG CYS A 45 -4.950 -2.388 3.169 1.00 0.00 S ATOM 0 H CYS A 45 -5.307 -4.032 5.122 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.490 -3.215 5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.849 -1.492 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.668 -3.137 3.358 1.00 0.00 H new ATOM 646 N ALA A 46 -3.481 -0.835 6.438 1.00 0.00 N ATOM 647 CA ALA A 46 -4.077 0.228 7.294 1.00 0.00 C ATOM 648 C ALA A 46 -4.607 -0.410 8.578 1.00 0.00 C ATOM 649 O ALA A 46 -5.718 -0.158 8.999 1.00 0.00 O ATOM 650 CB ALA A 46 -5.224 0.810 6.465 1.00 0.00 C ATOM 0 H ALA A 46 -2.564 -0.618 6.048 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.362 1.000 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.715 1.603 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.830 1.218 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.945 0.024 6.240 1.00 0.00 H new ATOM 656 N GLY A 47 -3.821 -1.254 9.192 1.00 0.00 N ATOM 657 CA GLY A 47 -4.280 -1.930 10.435 1.00 0.00 C ATOM 658 C GLY A 47 -5.471 -2.821 10.089 1.00 0.00 C ATOM 659 O GLY A 47 -5.612 -3.269 8.970 1.00 0.00 O ATOM 0 H GLY A 47 -2.881 -1.503 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.473 -2.525 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.564 -1.192 11.185 1.00 0.00 H new ATOM 663 N ASN A 48 -6.337 -3.073 11.027 1.00 0.00 N ATOM 664 CA ASN A 48 -7.519 -3.923 10.730 1.00 0.00 C ATOM 665 C ASN A 48 -8.631 -3.063 10.126 1.00 0.00 C ATOM 666 O ASN A 48 -9.787 -3.185 10.483 1.00 0.00 O ATOM 667 CB ASN A 48 -7.949 -4.496 12.082 1.00 0.00 C ATOM 668 CG ASN A 48 -7.305 -5.869 12.280 1.00 0.00 C ATOM 669 OD1 ASN A 48 -6.099 -5.978 12.386 1.00 0.00 O ATOM 670 ND2 ASN A 48 -8.063 -6.929 12.334 1.00 0.00 N ATOM 0 H ASN A 48 -6.278 -2.728 11.985 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.298 -4.714 10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.651 -3.823 12.886 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.035 -4.582 12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.644 -7.850 12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.075 -6.837 12.245 1.00 0.00 H new ATOM 677 N ARG A 49 -8.290 -2.179 9.226 1.00 0.00 N ATOM 678 CA ARG A 49 -9.319 -1.298 8.617 1.00 0.00 C ATOM 679 C ARG A 49 -9.572 -1.671 7.155 1.00 0.00 C ATOM 680 O ARG A 49 -10.693 -1.631 6.686 1.00 0.00 O ATOM 681 CB ARG A 49 -8.723 0.103 8.713 1.00 0.00 C ATOM 682 CG ARG A 49 -8.709 0.552 10.176 1.00 0.00 C ATOM 683 CD ARG A 49 -9.932 1.428 10.455 1.00 0.00 C ATOM 684 NE ARG A 49 -9.550 2.786 9.977 1.00 0.00 N ATOM 685 CZ ARG A 49 -10.186 3.835 10.421 1.00 0.00 C ATOM 686 NH1 ARG A 49 -9.922 4.300 11.612 1.00 0.00 N ATOM 687 NH2 ARG A 49 -11.083 4.419 9.675 1.00 0.00 N ATOM 0 H ARG A 49 -7.339 -2.032 8.888 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.281 -1.383 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.710 0.107 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.307 0.800 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.714 -0.317 10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.795 1.107 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.812 1.057 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.177 1.438 11.517 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.792 2.896 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.220 3.843 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.418 5.120 11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.287 4.055 8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.580 5.239 10.023 1.00 0.00 H new ATOM 701 N GLY A 50 -8.551 -2.013 6.420 1.00 0.00 N ATOM 702 CA GLY A 50 -8.775 -2.359 4.986 1.00 0.00 C ATOM 703 C GLY A 50 -8.211 -3.746 4.668 1.00 0.00 C ATOM 704 O GLY A 50 -7.423 -4.299 5.409 1.00 0.00 O ATOM 0 H GLY A 50 -7.585 -2.068 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.842 -2.335 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.300 -1.613 4.349 1.00 0.00 H new ATOM 708 N TRP A 51 -8.612 -4.304 3.556 1.00 0.00 N ATOM 709 CA TRP A 51 -8.111 -5.651 3.153 1.00 0.00 C ATOM 710 C TRP A 51 -7.730 -5.620 1.669 1.00 0.00 C ATOM 711 O TRP A 51 -8.050 -4.683 0.966 1.00 0.00 O ATOM 712 CB TRP A 51 -9.292 -6.598 3.384 1.00 0.00 C ATOM 713 CG TRP A 51 -9.099 -7.348 4.663 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.958 -7.332 5.709 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.003 -8.225 5.048 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.457 -8.144 6.711 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.253 -8.716 6.351 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.825 -8.637 4.399 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.368 -9.586 6.987 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.932 -9.513 5.036 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.203 -9.987 6.328 1.00 0.00 C ATOM 0 H TRP A 51 -9.272 -3.880 2.904 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.231 -5.963 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.222 -6.031 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.378 -7.297 2.552 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.883 -6.776 5.754 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.920 -8.301 7.606 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.606 -8.277 3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.582 -9.947 7.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.031 -9.824 4.528 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.512 -10.661 6.813 1.00 0.00 H new ATOM 732 N CYS A 52 -7.047 -6.619 1.180 1.00 0.00 N ATOM 733 CA CYS A 52 -6.657 -6.603 -0.260 1.00 0.00 C ATOM 734 C CYS A 52 -7.491 -7.599 -1.073 1.00 0.00 C ATOM 735 O CYS A 52 -7.435 -8.794 -0.862 1.00 0.00 O ATOM 736 CB CYS A 52 -5.188 -7.010 -0.277 1.00 0.00 C ATOM 737 SG CYS A 52 -4.412 -6.407 -1.797 1.00 0.00 S ATOM 0 H CYS A 52 -6.744 -7.438 1.708 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.824 -5.623 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.676 -6.599 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.099 -8.095 -0.216 1.00 0.00 H new ATOM 742 N ARG A 53 -8.249 -7.106 -2.014 1.00 0.00 N ATOM 743 CA ARG A 53 -9.078 -8.006 -2.867 1.00 0.00 C ATOM 744 C ARG A 53 -8.829 -7.673 -4.342 1.00 0.00 C ATOM 745 O ARG A 53 -8.487 -6.558 -4.680 1.00 0.00 O ATOM 746 CB ARG A 53 -10.530 -7.698 -2.495 1.00 0.00 C ATOM 747 CG ARG A 53 -10.684 -7.671 -0.972 1.00 0.00 C ATOM 748 CD ARG A 53 -11.184 -6.292 -0.539 1.00 0.00 C ATOM 749 NE ARG A 53 -10.897 -6.221 0.920 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.862 -6.378 1.784 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.670 -5.387 2.047 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.018 -7.525 2.387 1.00 0.00 N ATOM 0 H ARG A 53 -8.330 -6.113 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.840 -9.059 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.826 -6.737 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.192 -8.451 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.385 -8.442 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.729 -7.891 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.671 -5.498 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.250 -6.178 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.945 -6.049 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.547 -4.490 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.424 -5.510 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.385 -8.299 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.772 -7.648 3.062 1.00 0.00 H new ATOM 766 N SER A 54 -9.001 -8.617 -5.223 1.00 0.00 N ATOM 767 CA SER A 54 -8.773 -8.324 -6.666 1.00 0.00 C ATOM 768 C SER A 54 -9.577 -7.088 -7.062 1.00 0.00 C ATOM 769 O SER A 54 -9.071 -6.164 -7.669 1.00 0.00 O ATOM 770 CB SER A 54 -9.280 -9.558 -7.410 1.00 0.00 C ATOM 771 OG SER A 54 -9.851 -9.158 -8.649 1.00 0.00 O ATOM 0 H SER A 54 -9.287 -9.572 -5.010 1.00 0.00 H new ATOM 0 HA SER A 54 -7.727 -8.122 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.460 -10.255 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.022 -10.081 -6.807 1.00 0.00 H new ATOM 0 HG SER A 54 -10.176 -9.948 -9.130 1.00 0.00 H new ATOM 777 N LYS A 55 -10.827 -7.071 -6.711 1.00 0.00 N ATOM 778 CA LYS A 55 -11.693 -5.911 -7.042 1.00 0.00 C ATOM 779 C LYS A 55 -12.583 -5.597 -5.827 1.00 0.00 C ATOM 780 O LYS A 55 -12.536 -6.286 -4.827 1.00 0.00 O ATOM 781 CB LYS A 55 -12.506 -6.396 -8.254 1.00 0.00 C ATOM 782 CG LYS A 55 -13.988 -6.042 -8.099 1.00 0.00 C ATOM 783 CD LYS A 55 -14.790 -6.697 -9.224 1.00 0.00 C ATOM 784 CE LYS A 55 -16.024 -5.846 -9.532 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.857 -6.688 -10.433 1.00 0.00 N ATOM 0 H LYS A 55 -11.293 -7.822 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.154 -4.992 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.114 -5.943 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.396 -7.475 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.355 -6.383 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.119 -4.960 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.171 -6.796 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.092 -7.703 -8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.564 -5.589 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.747 -4.908 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.723 -6.172 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.320 -6.911 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.112 -7.571 -9.946 1.00 0.00 H new ATOM 799 N CYS A 56 -13.389 -4.572 -5.896 1.00 0.00 N ATOM 800 CA CYS A 56 -14.260 -4.249 -4.727 1.00 0.00 C ATOM 801 C CYS A 56 -15.566 -3.588 -5.181 1.00 0.00 C ATOM 802 O CYS A 56 -15.727 -3.226 -6.329 1.00 0.00 O ATOM 803 CB CYS A 56 -13.432 -3.290 -3.874 1.00 0.00 C ATOM 804 SG CYS A 56 -12.278 -4.247 -2.861 1.00 0.00 S ATOM 0 H CYS A 56 -13.483 -3.951 -6.700 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.550 -5.143 -4.175 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.886 -2.595 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.085 -2.693 -3.238 1.00 0.00 H new ATOM 809 N PHE A 57 -16.503 -3.437 -4.281 1.00 0.00 N ATOM 810 CA PHE A 57 -17.805 -2.809 -4.645 1.00 0.00 C ATOM 811 C PHE A 57 -17.675 -1.284 -4.681 1.00 0.00 C ATOM 812 O PHE A 57 -16.601 -0.738 -4.522 1.00 0.00 O ATOM 813 CB PHE A 57 -18.768 -3.236 -3.537 1.00 0.00 C ATOM 814 CG PHE A 57 -18.904 -4.739 -3.537 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.177 -5.419 -4.731 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.757 -5.455 -2.343 1.00 0.00 C ATOM 817 CE1 PHE A 57 -19.303 -6.813 -4.730 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.883 -6.849 -2.341 1.00 0.00 C ATOM 819 CZ PHE A 57 -19.156 -7.529 -3.534 1.00 0.00 C ATOM 0 H PHE A 57 -16.420 -3.723 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.148 -3.118 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.400 -2.894 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.743 -2.772 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.290 -4.867 -5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.546 -4.931 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.513 -7.337 -5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.770 -7.400 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.253 -8.605 -3.533 1.00 0.00 H new ATOM 829 N ARG A 58 -18.764 -0.593 -4.889 1.00 0.00 N ATOM 830 CA ARG A 58 -18.706 0.891 -4.938 1.00 0.00 C ATOM 831 C ARG A 58 -18.783 1.475 -3.528 1.00 0.00 C ATOM 832 O ARG A 58 -18.051 2.380 -3.181 1.00 0.00 O ATOM 833 CB ARG A 58 -19.922 1.311 -5.765 1.00 0.00 C ATOM 834 CG ARG A 58 -19.620 2.625 -6.487 1.00 0.00 C ATOM 835 CD ARG A 58 -20.915 3.196 -7.069 1.00 0.00 C ATOM 836 NE ARG A 58 -21.122 4.484 -6.351 1.00 0.00 N ATOM 837 CZ ARG A 58 -21.583 5.521 -6.993 1.00 0.00 C ATOM 838 NH1 ARG A 58 -21.041 5.884 -8.123 1.00 0.00 N ATOM 839 NH2 ARG A 58 -22.587 6.197 -6.505 1.00 0.00 N ATOM 0 H ARG A 58 -19.691 -0.996 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.775 1.251 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.168 0.534 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -20.791 1.431 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.174 3.339 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -18.894 2.457 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.830 3.352 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.753 2.517 -6.911 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.903 4.555 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.256 5.356 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.402 6.695 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.011 5.914 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.948 7.008 -7.007 1.00 0.00 H new ATOM 853 N HIS A 59 -19.655 0.960 -2.706 1.00 0.00 N ATOM 854 CA HIS A 59 -19.759 1.488 -1.317 1.00 0.00 C ATOM 855 C HIS A 59 -18.367 1.554 -0.685 1.00 0.00 C ATOM 856 O HIS A 59 -18.135 2.279 0.262 1.00 0.00 O ATOM 857 CB HIS A 59 -20.640 0.485 -0.571 1.00 0.00 C ATOM 858 CG HIS A 59 -20.642 0.813 0.897 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.498 -0.160 1.873 1.00 0.00 N ATOM 860 CD2 HIS A 59 -20.769 2.003 1.570 1.00 0.00 C ATOM 861 CE1 HIS A 59 -20.541 0.455 3.069 1.00 0.00 C ATOM 862 NE2 HIS A 59 -20.705 1.774 2.942 1.00 0.00 N ATOM 0 H HIS A 59 -20.297 0.201 -2.934 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.178 2.494 -1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.657 0.516 -0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.269 -0.528 -0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -20.899 2.970 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -20.454 -0.056 4.016 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.770 2.465 3.689 1.00 0.00 H new ATOM 870 N GLU A 60 -17.435 0.800 -1.209 1.00 0.00 N ATOM 871 CA GLU A 60 -16.058 0.815 -0.652 1.00 0.00 C ATOM 872 C GLU A 60 -15.092 1.401 -1.682 1.00 0.00 C ATOM 873 O GLU A 60 -15.464 1.668 -2.808 1.00 0.00 O ATOM 874 CB GLU A 60 -15.736 -0.654 -0.389 1.00 0.00 C ATOM 875 CG GLU A 60 -16.494 -1.132 0.852 1.00 0.00 C ATOM 876 CD GLU A 60 -15.556 -1.944 1.745 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.738 -1.338 2.418 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.670 -3.159 1.740 1.00 0.00 O ATOM 0 H GLU A 60 -17.574 0.174 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.971 1.421 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.014 -1.258 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.663 -0.781 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.887 -0.277 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.349 -1.741 0.557 1.00 0.00 H new ATOM 885 N TYR A 61 -13.854 1.595 -1.321 1.00 0.00 N ATOM 886 CA TYR A 61 -12.883 2.153 -2.305 1.00 0.00 C ATOM 887 C TYR A 61 -11.543 1.440 -2.190 1.00 0.00 C ATOM 888 O TYR A 61 -11.432 0.392 -1.587 1.00 0.00 O ATOM 889 CB TYR A 61 -12.727 3.633 -1.948 1.00 0.00 C ATOM 890 CG TYR A 61 -11.938 3.777 -0.666 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.496 3.365 0.549 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.650 4.332 -0.690 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.773 3.505 1.738 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.926 4.470 0.501 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.488 4.057 1.714 1.00 0.00 C ATOM 896 OH TYR A 61 -9.774 4.194 2.887 1.00 0.00 O ATOM 0 H TYR A 61 -13.474 1.394 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.233 2.022 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.220 4.159 -2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.708 4.093 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.488 2.938 0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.217 4.653 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.207 3.187 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.933 4.895 0.483 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.900 4.593 2.693 1.00 0.00 H new ATOM 906 N VAL A 62 -10.526 2.008 -2.764 1.00 0.00 N ATOM 907 CA VAL A 62 -9.176 1.383 -2.698 1.00 0.00 C ATOM 908 C VAL A 62 -8.182 2.390 -2.127 1.00 0.00 C ATOM 909 O VAL A 62 -7.770 3.308 -2.803 1.00 0.00 O ATOM 910 CB VAL A 62 -8.832 1.038 -4.148 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.324 0.808 -4.286 1.00 0.00 C ATOM 912 CG2 VAL A 62 -9.578 -0.235 -4.556 1.00 0.00 C ATOM 0 H VAL A 62 -10.569 2.886 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.145 0.500 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.130 1.864 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.087 0.563 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.790 1.713 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.021 -0.015 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.335 -0.484 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.279 -1.056 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.652 -0.072 -4.465 1.00 0.00 H new ATOM 922 N ASP A 63 -7.807 2.238 -0.882 1.00 0.00 N ATOM 923 CA ASP A 63 -6.850 3.202 -0.267 1.00 0.00 C ATOM 924 C ASP A 63 -5.657 3.427 -1.195 1.00 0.00 C ATOM 925 O ASP A 63 -4.652 2.752 -1.109 1.00 0.00 O ATOM 926 CB ASP A 63 -6.407 2.548 1.043 1.00 0.00 C ATOM 927 CG ASP A 63 -5.981 1.105 0.782 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.646 0.800 -0.351 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.992 0.326 1.721 1.00 0.00 O ATOM 0 H ASP A 63 -8.123 1.488 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.302 4.179 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.579 3.108 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.223 2.571 1.766 1.00 0.00 H new ATOM 934 N THR A 64 -5.766 4.371 -2.084 1.00 0.00 N ATOM 935 CA THR A 64 -4.643 4.643 -3.027 1.00 0.00 C ATOM 936 C THR A 64 -3.302 4.610 -2.288 1.00 0.00 C ATOM 937 O THR A 64 -2.268 4.351 -2.869 1.00 0.00 O ATOM 938 CB THR A 64 -4.918 6.043 -3.572 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.641 6.793 -2.606 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.737 5.942 -4.860 1.00 0.00 C ATOM 0 H THR A 64 -6.585 4.968 -2.201 1.00 0.00 H new ATOM 0 HA THR A 64 -4.583 3.897 -3.820 1.00 0.00 H new ATOM 0 HB THR A 64 -3.972 6.541 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.816 7.692 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.932 6.942 -5.247 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.180 5.368 -5.601 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.683 5.443 -4.651 1.00 0.00 H new ATOM 948 N TYR A 65 -3.314 4.881 -1.013 1.00 0.00 N ATOM 949 CA TYR A 65 -2.044 4.875 -0.232 1.00 0.00 C ATOM 950 C TYR A 65 -1.521 3.446 -0.045 1.00 0.00 C ATOM 951 O TYR A 65 -0.355 3.173 -0.250 1.00 0.00 O ATOM 952 CB TYR A 65 -2.416 5.483 1.120 1.00 0.00 C ATOM 953 CG TYR A 65 -1.178 6.046 1.777 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.670 7.287 1.373 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.538 5.326 2.792 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.478 7.806 1.984 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.610 5.845 3.402 1.00 0.00 C ATOM 958 CZ TYR A 65 1.118 7.084 2.998 1.00 0.00 C ATOM 959 OH TYR A 65 2.250 7.596 3.599 1.00 0.00 O ATOM 0 H TYR A 65 -4.151 5.107 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.254 5.430 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.159 6.269 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.867 4.725 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.164 7.844 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.930 4.369 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.870 8.763 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.104 5.289 4.185 1.00 0.00 H new ATOM 0 HH TYR A 65 2.569 6.971 4.283 1.00 0.00 H new ATOM 969 N TYR A 66 -2.365 2.538 0.361 1.00 0.00 N ATOM 970 CA TYR A 66 -1.900 1.135 0.581 1.00 0.00 C ATOM 971 C TYR A 66 -2.044 0.294 -0.694 1.00 0.00 C ATOM 972 O TYR A 66 -1.625 -0.849 -0.741 1.00 0.00 O ATOM 973 CB TYR A 66 -2.792 0.596 1.698 1.00 0.00 C ATOM 974 CG TYR A 66 -2.261 1.082 3.023 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.639 2.339 3.508 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.384 0.280 3.762 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.139 2.794 4.733 1.00 0.00 C ATOM 978 CE2 TYR A 66 -0.885 0.734 4.988 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.262 1.992 5.474 1.00 0.00 C ATOM 980 OH TYR A 66 -0.770 2.441 6.682 1.00 0.00 O ATOM 0 H TYR A 66 -3.354 2.704 0.550 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.843 1.095 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.819 0.933 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.808 -0.494 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.316 2.957 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.092 -0.690 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.430 3.764 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.209 0.114 5.559 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.177 1.762 7.066 1.00 0.00 H new ATOM 990 N SER A 67 -2.603 0.847 -1.735 1.00 0.00 N ATOM 991 CA SER A 67 -2.733 0.068 -2.999 1.00 0.00 C ATOM 992 C SER A 67 -1.366 -0.522 -3.351 1.00 0.00 C ATOM 993 O SER A 67 -1.259 -1.503 -4.062 1.00 0.00 O ATOM 994 CB SER A 67 -3.166 1.085 -4.053 1.00 0.00 C ATOM 995 OG SER A 67 -4.312 0.595 -4.735 1.00 0.00 O ATOM 0 H SER A 67 -2.973 1.797 -1.766 1.00 0.00 H new ATOM 0 HA SER A 67 -3.446 -0.753 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.391 2.042 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.355 1.261 -4.760 1.00 0.00 H new ATOM 0 HG SER A 67 -4.594 1.246 -5.411 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.319 0.079 -2.848 1.00 0.00 N ATOM 1002 CA ALA A 68 1.052 -0.426 -3.136 1.00 0.00 C ATOM 1003 C ALA A 68 1.305 -1.742 -2.395 1.00 0.00 C ATOM 1004 O ALA A 68 1.501 -2.774 -3.005 1.00 0.00 O ATOM 1005 CB ALA A 68 1.992 0.665 -2.624 1.00 0.00 C ATOM 0 H ALA A 68 -0.357 0.902 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 68 1.199 -0.629 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.026 0.367 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.788 1.597 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.833 0.810 -1.555 1.00 0.00 H new ATOM 1011 N VAL A 69 1.316 -1.720 -1.085 1.00 0.00 N ATOM 1012 CA VAL A 69 1.572 -2.985 -0.336 1.00 0.00 C ATOM 1013 C VAL A 69 0.749 -4.118 -0.949 1.00 0.00 C ATOM 1014 O VAL A 69 1.152 -5.263 -0.940 1.00 0.00 O ATOM 1015 CB VAL A 69 1.163 -2.714 1.121 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.345 -2.519 1.236 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.575 -3.893 1.999 1.00 0.00 C ATOM 0 H VAL A 69 1.161 -0.892 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 69 2.618 -3.288 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 69 1.665 -1.804 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.609 -2.329 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.650 -1.671 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.856 -3.418 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.284 -3.697 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.080 -4.799 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.656 -4.026 1.946 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.393 -3.804 -1.498 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.233 -4.865 -2.127 1.00 0.00 C ATOM 1029 C CYS A 70 -0.526 -5.436 -3.359 1.00 0.00 C ATOM 1030 O CYS A 70 -0.265 -6.620 -3.446 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.525 -4.163 -2.537 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.820 -4.533 -1.331 1.00 0.00 S ATOM 0 H CYS A 70 -0.781 -2.861 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.419 -5.697 -1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.364 -3.087 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.832 -4.493 -3.529 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.216 -4.602 -4.315 1.00 0.00 N ATOM 1038 CA GLY A 71 0.471 -5.096 -5.542 1.00 0.00 C ATOM 1039 C GLY A 71 -0.555 -5.290 -6.660 1.00 0.00 C ATOM 1040 O GLY A 71 -1.246 -4.370 -7.049 1.00 0.00 O ATOM 0 H GLY A 71 -0.409 -3.601 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.235 -4.384 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.979 -6.038 -5.333 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.662 -6.483 -7.182 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.645 -6.733 -8.275 1.00 0.00 C ATOM 1046 C ARG A 72 -3.072 -6.515 -7.762 1.00 0.00 C ATOM 1047 O ARG A 72 -3.952 -6.116 -8.499 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.435 -8.195 -8.671 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.149 -8.323 -9.490 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.453 -8.053 -10.965 1.00 0.00 C ATOM 1051 NE ARG A 72 0.753 -8.520 -11.701 1.00 0.00 N ATOM 1052 CZ ARG A 72 1.184 -7.855 -12.738 1.00 0.00 C ATOM 1053 NH1 ARG A 72 1.998 -6.847 -12.576 1.00 0.00 N ATOM 1054 NH2 ARG A 72 0.800 -8.197 -13.938 1.00 0.00 N ATOM 0 H ARG A 72 -0.112 -7.294 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.504 -6.058 -9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.374 -8.819 -7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.286 -8.551 -9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.598 -7.617 -9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.272 -9.321 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.345 -8.590 -11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.637 -6.993 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 72 1.243 -9.360 -11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.297 -6.579 -11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.334 -6.328 -13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.163 -8.984 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.137 -7.677 -14.749 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.307 -6.776 -6.506 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.678 -6.585 -5.948 1.00 0.00 C ATOM 1070 C TYR A 73 -4.855 -5.146 -5.458 1.00 0.00 C ATOM 1071 O TYR A 73 -3.987 -4.312 -5.621 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.765 -7.557 -4.768 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.070 -8.950 -5.268 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.745 -9.316 -6.580 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.678 -9.879 -4.414 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.026 -10.610 -7.036 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.961 -11.171 -4.870 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.635 -11.537 -6.182 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.912 -12.812 -6.632 1.00 0.00 O ATOM 0 H TYR A 73 -2.611 -7.113 -5.841 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.453 -6.769 -6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.825 -7.557 -4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.541 -7.232 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.278 -8.600 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.929 -9.597 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.773 -10.893 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.431 -11.886 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.334 -13.328 -5.913 1.00 0.00 H new ATOM 1089 N PHE A 74 -5.971 -4.854 -4.851 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.206 -3.473 -4.337 1.00 0.00 C ATOM 1091 C PHE A 74 -6.626 -3.527 -2.873 1.00 0.00 C ATOM 1092 O PHE A 74 -7.568 -4.204 -2.516 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.354 -2.913 -5.170 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.968 -2.876 -6.621 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.934 -4.061 -7.359 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.660 -1.658 -7.231 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.588 -4.031 -8.712 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.317 -1.623 -8.587 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.281 -2.811 -9.329 1.00 0.00 C ATOM 0 H PHE A 74 -6.733 -5.512 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.307 -2.860 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.244 -3.529 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.607 -1.910 -4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.175 -5.000 -6.884 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.687 -0.744 -6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.557 -4.948 -9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.080 -0.682 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.017 -2.786 -10.376 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.958 -2.807 -2.024 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.355 -2.821 -0.594 1.00 0.00 C ATOM 1111 C CYS A 75 -7.558 -1.899 -0.406 1.00 0.00 C ATOM 1112 O CYS A 75 -7.424 -0.699 -0.295 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.139 -2.304 0.167 1.00 0.00 C ATOM 1114 SG CYS A 75 -4.738 -3.472 1.484 1.00 0.00 S ATOM 0 H CYS A 75 -5.161 -2.214 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.643 -3.811 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.291 -2.191 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.346 -1.319 0.586 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.738 -2.450 -0.393 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.942 -1.596 -0.240 1.00 0.00 C ATOM 1121 C CYS A 76 -10.157 -1.213 1.220 1.00 0.00 C ATOM 1122 O CYS A 76 -9.529 -1.739 2.117 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.102 -2.449 -0.740 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.784 -2.955 -2.448 1.00 0.00 S ATOM 0 H CYS A 76 -8.919 -3.450 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.846 -0.663 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.222 -3.327 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.033 -1.885 -0.684 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.046 -0.294 1.456 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.324 0.145 2.849 1.00 0.00 C ATOM 1131 C ARG A 77 -12.687 0.835 2.915 1.00 0.00 C ATOM 1132 O ARG A 77 -13.303 1.115 1.903 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.206 1.133 3.184 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.608 0.781 4.545 1.00 0.00 C ATOM 1135 CD ARG A 77 -9.920 1.901 5.539 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.617 2.580 5.772 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.554 3.613 6.567 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -9.382 4.608 6.408 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -7.664 3.649 7.521 1.00 0.00 N ATOM 0 H ARG A 77 -11.597 0.176 0.738 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.352 -0.689 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.434 1.099 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.597 2.150 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.019 -0.163 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.530 0.647 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.659 2.593 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.329 1.503 6.467 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.774 2.239 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.078 4.578 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.334 5.416 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.018 2.870 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.615 4.456 8.142 1.00 0.00 H new ATOM 1153 N SER A 78 -13.161 1.110 4.097 1.00 0.00 N ATOM 1154 CA SER A 78 -14.484 1.783 4.231 1.00 0.00 C ATOM 1155 C SER A 78 -14.292 3.288 4.438 1.00 0.00 C ATOM 1156 O SER A 78 -13.945 3.738 5.512 1.00 0.00 O ATOM 1157 CB SER A 78 -15.127 1.149 5.462 1.00 0.00 C ATOM 1158 OG SER A 78 -15.544 -0.173 5.145 1.00 0.00 O ATOM 0 H SER A 78 -12.690 0.898 4.977 1.00 0.00 H new ATOM 0 HA SER A 78 -15.102 1.662 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.417 1.130 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.980 1.744 5.788 1.00 0.00 H new ATOM 0 HG SER A 78 -15.221 -0.413 4.251 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.516 4.070 3.417 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.347 5.544 3.553 1.00 0.00 C ATOM 1166 C ARG A 79 -15.644 6.183 4.059 1.00 0.00 C ATOM 1167 O ARG A 79 -16.663 5.515 4.022 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.021 6.031 2.141 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.550 7.486 2.195 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.061 7.527 2.547 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.688 8.967 2.470 1.00 0.00 N ATOM 1172 CZ ARG A 79 -10.661 9.337 1.757 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -10.454 8.804 0.584 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -9.838 10.240 2.218 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.593 7.330 4.472 1.00 0.00 O ATOM 0 H ARG A 79 -14.809 3.751 2.494 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.568 5.809 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.247 5.404 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.902 5.947 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.721 7.971 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.126 8.039 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.880 7.125 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.474 6.929 1.850 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.236 9.664 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.096 8.098 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.650 9.094 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.999 10.656 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.034 10.530 1.661 1.00 0.00 H new TER 1189 ARG A 79