USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 454 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 149 THR OG1 : rot -102:sc= 0.00678 USER MOD Set 1.2: A 151 THR OG1 : rot 180:sc= 0.00853 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -3.11! C(o=-3.1!,f=-7!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 39:sc= -0.315! USER MOD Single : A 134 SER OG : rot -158:sc= 1.48 USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 142 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.36) USER MOD Single : A 143 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.36) USER MOD Single : A 148 MET CE :methyl -153:sc= -0.167 (180deg=-1.87) USER MOD Single : A 155 THR OG1 : rot 90:sc= 0.0239 USER MOD Single : A 158 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 159 THR OG1 : rot 78:sc= -1.65! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0561) USER MOD Single : A 171 LYS NZ :NH3+ -158:sc= -0.082 (180deg=-1.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -18.757 2.581 -4.907 1.00 0.00 N ATOM 2 CA ARG A 113 -17.288 2.824 -4.988 1.00 0.00 C ATOM 3 C ARG A 113 -17.012 4.288 -5.340 1.00 0.00 C ATOM 4 O ARG A 113 -17.039 4.675 -6.492 1.00 0.00 O ATOM 5 CB ARG A 113 -16.794 1.902 -6.103 1.00 0.00 C ATOM 6 CG ARG A 113 -17.543 2.219 -7.399 1.00 0.00 C ATOM 7 CD ARG A 113 -16.536 2.513 -8.513 1.00 0.00 C ATOM 8 NE ARG A 113 -15.945 1.190 -8.855 1.00 0.00 N ATOM 9 CZ ARG A 113 -15.115 1.083 -9.857 1.00 0.00 C ATOM 10 NH1 ARG A 113 -15.568 1.039 -11.079 1.00 0.00 N ATOM 11 NH2 ARG A 113 -13.830 1.018 -9.635 1.00 0.00 N ATOM 0 HA ARG A 113 -16.784 2.625 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -15.722 2.033 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -16.953 0.860 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -18.177 1.378 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -18.199 3.077 -7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -17.024 2.963 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.770 3.213 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 113 -16.189 0.366 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.572 1.088 -11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.918 0.955 -11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.475 1.051 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.181 0.934 -10.417 1.00 0.00 H new ATOM 27 N ILE A 114 -16.747 5.107 -4.360 1.00 0.00 N ATOM 28 CA ILE A 114 -16.471 6.545 -4.646 1.00 0.00 C ATOM 29 C ILE A 114 -15.527 6.672 -5.843 1.00 0.00 C ATOM 30 O ILE A 114 -14.562 5.944 -5.965 1.00 0.00 O ATOM 31 CB ILE A 114 -15.807 7.082 -3.378 1.00 0.00 C ATOM 32 CG1 ILE A 114 -16.734 6.853 -2.181 1.00 0.00 C ATOM 33 CG2 ILE A 114 -15.542 8.580 -3.536 1.00 0.00 C ATOM 34 CD1 ILE A 114 -16.157 5.751 -1.290 1.00 0.00 C ATOM 0 H ILE A 114 -16.709 4.844 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 114 -17.376 7.098 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 114 -14.864 6.561 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -16.844 7.776 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -17.729 6.572 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -15.069 8.963 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -14.883 8.745 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -16.485 9.101 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -16.817 5.589 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -16.070 4.828 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -15.172 6.050 -0.933 1.00 0.00 H new ATOM 46 N GLU A 115 -15.797 7.590 -6.730 1.00 0.00 N ATOM 47 CA GLU A 115 -14.912 7.760 -7.918 1.00 0.00 C ATOM 48 C GLU A 115 -13.533 8.263 -7.484 1.00 0.00 C ATOM 49 O GLU A 115 -13.412 9.089 -6.602 1.00 0.00 O ATOM 50 CB GLU A 115 -15.614 8.803 -8.790 1.00 0.00 C ATOM 51 CG GLU A 115 -15.808 8.243 -10.201 1.00 0.00 C ATOM 52 CD GLU A 115 -17.191 7.599 -10.308 1.00 0.00 C ATOM 53 OE1 GLU A 115 -17.893 7.580 -9.309 1.00 0.00 O ATOM 54 OE2 GLU A 115 -17.527 7.136 -11.386 1.00 0.00 O ATOM 0 H GLU A 115 -16.591 8.229 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 115 -14.754 6.823 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.579 9.065 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.022 9.718 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.709 9.041 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.034 7.507 -10.421 1.00 0.00 H new ATOM 61 N THR A 116 -12.491 7.770 -8.096 1.00 0.00 N ATOM 62 CA THR A 116 -11.120 8.220 -7.717 1.00 0.00 C ATOM 63 C THR A 116 -11.067 9.748 -7.639 1.00 0.00 C ATOM 64 O THR A 116 -10.443 10.314 -6.763 1.00 0.00 O ATOM 65 CB THR A 116 -10.210 7.707 -8.833 1.00 0.00 C ATOM 66 OG1 THR A 116 -10.453 6.320 -9.041 1.00 0.00 O ATOM 67 CG2 THR A 116 -8.748 7.926 -8.440 1.00 0.00 C ATOM 0 H THR A 116 -12.529 7.075 -8.842 1.00 0.00 H new ATOM 0 HA THR A 116 -10.817 7.842 -6.740 1.00 0.00 H new ATOM 0 HB THR A 116 -10.418 8.250 -9.755 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.872 5.990 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.099 7.560 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.568 8.990 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.534 7.384 -7.519 1.00 0.00 H new ATOM 75 N ASP A 117 -11.719 10.421 -8.548 1.00 0.00 N ATOM 76 CA ASP A 117 -11.710 11.913 -8.529 1.00 0.00 C ATOM 77 C ASP A 117 -10.309 12.442 -8.850 1.00 0.00 C ATOM 78 O ASP A 117 -9.714 13.162 -8.074 1.00 0.00 O ATOM 79 CB ASP A 117 -12.115 12.295 -7.103 1.00 0.00 C ATOM 80 CG ASP A 117 -12.846 13.638 -7.124 1.00 0.00 C ATOM 81 OD1 ASP A 117 -12.175 14.656 -7.110 1.00 0.00 O ATOM 82 OD2 ASP A 117 -14.067 13.625 -7.153 1.00 0.00 O ATOM 0 H ASP A 117 -12.259 10.001 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.385 12.337 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.759 11.525 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.232 12.359 -6.467 1.00 0.00 H new ATOM 87 N GLU A 118 -9.779 12.092 -9.990 1.00 0.00 N ATOM 88 CA GLU A 118 -8.418 12.576 -10.362 1.00 0.00 C ATOM 89 C GLU A 118 -7.405 12.200 -9.278 1.00 0.00 C ATOM 90 O GLU A 118 -7.758 11.673 -8.243 1.00 0.00 O ATOM 91 CB GLU A 118 -8.553 14.096 -10.463 1.00 0.00 C ATOM 92 CG GLU A 118 -9.159 14.468 -11.817 1.00 0.00 C ATOM 93 CD GLU A 118 -10.309 15.455 -11.608 1.00 0.00 C ATOM 94 OE1 GLU A 118 -10.141 16.372 -10.820 1.00 0.00 O ATOM 95 OE2 GLU A 118 -11.338 15.277 -12.238 1.00 0.00 O ATOM 0 H GLU A 118 -10.229 11.492 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.064 12.133 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.183 14.470 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.576 14.566 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.397 14.911 -12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.521 13.573 -12.323 1.00 0.00 H new ATOM 102 N ARG A 119 -6.149 12.468 -9.508 1.00 0.00 N ATOM 103 CA ARG A 119 -5.115 12.125 -8.490 1.00 0.00 C ATOM 104 C ARG A 119 -4.723 13.373 -7.694 1.00 0.00 C ATOM 105 O ARG A 119 -5.055 14.484 -8.059 1.00 0.00 O ATOM 106 CB ARG A 119 -3.924 11.604 -9.294 1.00 0.00 C ATOM 107 CG ARG A 119 -3.457 12.679 -10.276 1.00 0.00 C ATOM 108 CD ARG A 119 -1.974 12.470 -10.596 1.00 0.00 C ATOM 109 NE ARG A 119 -1.959 11.496 -11.721 1.00 0.00 N ATOM 110 CZ ARG A 119 -2.472 10.306 -11.561 1.00 0.00 C ATOM 111 NH1 ARG A 119 -2.240 9.637 -10.465 1.00 0.00 N ATOM 112 NH2 ARG A 119 -3.222 9.788 -12.495 1.00 0.00 N ATOM 0 H ARG A 119 -5.794 12.909 -10.356 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.472 11.389 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.110 11.333 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -4.205 10.701 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.047 12.632 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.611 13.669 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.495 13.407 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.434 12.084 -9.732 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.548 11.758 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.658 10.044 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.641 8.707 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.407 10.313 -13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.623 8.858 -12.370 1.00 0.00 H new ATOM 126 N ASP A 120 -4.020 13.199 -6.608 1.00 0.00 N ATOM 127 CA ASP A 120 -3.607 14.374 -5.789 1.00 0.00 C ATOM 128 C ASP A 120 -2.332 14.048 -5.007 1.00 0.00 C ATOM 129 O ASP A 120 -1.430 14.857 -4.904 1.00 0.00 O ATOM 130 CB ASP A 120 -4.774 14.618 -4.831 1.00 0.00 C ATOM 131 CG ASP A 120 -5.310 16.037 -5.030 1.00 0.00 C ATOM 132 OD1 ASP A 120 -5.952 16.269 -6.042 1.00 0.00 O ATOM 133 OD2 ASP A 120 -5.071 16.867 -4.168 1.00 0.00 O ATOM 0 H ASP A 120 -3.714 12.293 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 120 -3.391 15.250 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -5.565 13.890 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -4.446 14.483 -3.800 1.00 0.00 H new ATOM 138 N SER A 121 -2.250 12.870 -4.454 1.00 0.00 N ATOM 139 CA SER A 121 -1.033 12.493 -3.678 1.00 0.00 C ATOM 140 C SER A 121 -0.658 11.035 -3.956 1.00 0.00 C ATOM 141 O SER A 121 -0.009 10.388 -3.157 1.00 0.00 O ATOM 142 CB SER A 121 -1.428 12.675 -2.212 1.00 0.00 C ATOM 143 OG SER A 121 -1.551 14.062 -1.927 1.00 0.00 O ATOM 0 H SER A 121 -2.972 12.151 -4.505 1.00 0.00 H new ATOM 0 HA SER A 121 -0.168 13.099 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.371 12.166 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.678 12.224 -1.563 1.00 0.00 H new ATOM 0 HG SER A 121 -1.806 14.182 -0.988 1.00 0.00 H new ATOM 149 N THR A 122 -1.059 10.513 -5.082 1.00 0.00 N ATOM 150 CA THR A 122 -0.723 9.097 -5.410 1.00 0.00 C ATOM 151 C THR A 122 0.793 8.931 -5.532 1.00 0.00 C ATOM 152 O THR A 122 1.352 9.011 -6.608 1.00 0.00 O ATOM 153 CB THR A 122 -1.401 8.831 -6.755 1.00 0.00 C ATOM 154 OG1 THR A 122 -2.801 9.027 -6.623 1.00 0.00 O ATOM 155 CG2 THR A 122 -1.123 7.391 -7.191 1.00 0.00 C ATOM 0 H THR A 122 -1.605 11.005 -5.790 1.00 0.00 H new ATOM 0 HA THR A 122 -1.059 8.402 -4.640 1.00 0.00 H new ATOM 0 HB THR A 122 -1.007 9.517 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 122 -3.237 8.859 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.606 7.201 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 122 -0.048 7.242 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.517 6.702 -6.444 1.00 0.00 H new ATOM 163 N ASN A 123 1.463 8.705 -4.436 1.00 0.00 N ATOM 164 CA ASN A 123 2.944 8.536 -4.488 1.00 0.00 C ATOM 165 C ASN A 123 3.434 7.752 -3.268 1.00 0.00 C ATOM 166 O ASN A 123 3.772 8.318 -2.248 1.00 0.00 O ATOM 167 CB ASN A 123 3.508 9.961 -4.470 1.00 0.00 C ATOM 168 CG ASN A 123 2.747 10.804 -3.443 1.00 0.00 C ATOM 169 OD1 ASN A 123 1.958 11.656 -3.804 1.00 0.00 O ATOM 170 ND2 ASN A 123 2.951 10.603 -2.170 1.00 0.00 N ATOM 0 H ASN A 123 1.050 8.630 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 123 3.263 7.981 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.569 9.939 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.421 10.410 -5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.449 11.160 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 123 3.613 9.889 -1.866 1.00 0.00 H new ATOM 177 N ARG A 124 3.474 6.451 -3.365 1.00 0.00 N ATOM 178 CA ARG A 124 3.945 5.632 -2.210 1.00 0.00 C ATOM 179 C ARG A 124 5.470 5.494 -2.248 1.00 0.00 C ATOM 180 O ARG A 124 6.073 5.473 -3.302 1.00 0.00 O ATOM 181 CB ARG A 124 3.275 4.267 -2.389 1.00 0.00 C ATOM 182 CG ARG A 124 3.970 3.493 -3.512 1.00 0.00 C ATOM 183 CD ARG A 124 2.918 2.860 -4.426 1.00 0.00 C ATOM 184 NE ARG A 124 3.440 3.059 -5.807 1.00 0.00 N ATOM 185 CZ ARG A 124 2.726 2.693 -6.838 1.00 0.00 C ATOM 186 NH1 ARG A 124 1.644 1.982 -6.663 1.00 0.00 N ATOM 187 NH2 ARG A 124 3.094 3.035 -8.043 1.00 0.00 N ATOM 0 H ARG A 124 3.202 5.920 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 124 3.691 6.085 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.327 3.701 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.219 4.398 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.610 4.162 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.613 2.720 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.786 1.801 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 124 1.946 3.336 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 124 4.357 3.482 -5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.357 1.713 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.086 1.696 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.940 3.588 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.536 2.749 -8.847 1.00 0.00 H new ATOM 201 N ALA A 125 6.099 5.401 -1.107 1.00 0.00 N ATOM 202 CA ALA A 125 7.583 5.265 -1.090 1.00 0.00 C ATOM 203 C ALA A 125 8.061 4.767 0.275 1.00 0.00 C ATOM 204 O ALA A 125 7.828 5.387 1.292 1.00 0.00 O ATOM 205 CB ALA A 125 8.114 6.673 -1.364 1.00 0.00 C ATOM 0 H ALA A 125 5.651 5.413 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 125 7.936 4.544 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.204 6.657 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.753 7.016 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.764 7.352 -0.586 1.00 0.00 H new ATOM 211 N SER A 126 8.733 3.648 0.299 1.00 0.00 N ATOM 212 CA SER A 126 9.233 3.103 1.593 1.00 0.00 C ATOM 213 C SER A 126 10.713 3.452 1.772 1.00 0.00 C ATOM 214 O SER A 126 11.574 2.898 1.119 1.00 0.00 O ATOM 215 CB SER A 126 9.049 1.590 1.480 1.00 0.00 C ATOM 216 OG SER A 126 7.921 1.313 0.661 1.00 0.00 O ATOM 0 H SER A 126 8.957 3.087 -0.523 1.00 0.00 H new ATOM 0 HA SER A 126 8.702 3.515 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.943 1.134 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.910 1.154 2.469 1.00 0.00 H new ATOM 0 HG SER A 126 7.802 0.343 0.585 1.00 0.00 H new ATOM 222 N PHE A 127 11.013 4.368 2.650 1.00 0.00 N ATOM 223 CA PHE A 127 12.438 4.755 2.866 1.00 0.00 C ATOM 224 C PHE A 127 13.019 3.991 4.057 1.00 0.00 C ATOM 225 O PHE A 127 12.300 3.456 4.876 1.00 0.00 O ATOM 226 CB PHE A 127 12.405 6.254 3.161 1.00 0.00 C ATOM 227 CG PHE A 127 11.479 6.945 2.188 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.111 7.036 2.471 1.00 0.00 C ATOM 229 CD2 PHE A 127 11.988 7.494 1.004 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.251 7.676 1.570 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.128 8.135 0.104 1.00 0.00 C ATOM 232 CZ PHE A 127 9.760 8.225 0.387 1.00 0.00 C ATOM 0 H PHE A 127 10.335 4.866 3.227 1.00 0.00 H new ATOM 0 HA PHE A 127 13.061 4.523 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.068 6.426 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.409 6.672 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.719 6.613 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.043 7.423 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.195 7.746 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.520 8.560 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.097 8.718 -0.308 1.00 0.00 H new ATOM 242 N LYS A 128 14.319 3.941 4.161 1.00 0.00 N ATOM 243 CA LYS A 128 14.947 3.220 5.300 1.00 0.00 C ATOM 244 C LYS A 128 16.143 4.009 5.831 1.00 0.00 C ATOM 245 O LYS A 128 16.830 4.691 5.097 1.00 0.00 O ATOM 246 CB LYS A 128 15.393 1.873 4.734 1.00 0.00 C ATOM 247 CG LYS A 128 16.075 1.062 5.836 1.00 0.00 C ATOM 248 CD LYS A 128 17.376 0.462 5.301 1.00 0.00 C ATOM 249 CE LYS A 128 17.392 -1.044 5.574 1.00 0.00 C ATOM 250 NZ LYS A 128 18.818 -1.367 5.860 1.00 0.00 N ATOM 0 H LYS A 128 14.972 4.369 3.505 1.00 0.00 H new ATOM 0 HA LYS A 128 14.257 3.094 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.534 1.327 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.079 2.025 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 128 16.283 1.700 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.412 0.269 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 128 17.463 0.650 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.232 0.938 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.752 -1.299 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.025 -1.605 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.911 -2.384 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.402 -1.120 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.138 -0.823 6.687 1.00 0.00 H new ATOM 264 N CYS A 129 16.390 3.924 7.107 1.00 0.00 N ATOM 265 CA CYS A 129 17.532 4.666 7.702 1.00 0.00 C ATOM 266 C CYS A 129 18.762 3.755 7.801 1.00 0.00 C ATOM 267 O CYS A 129 18.676 2.646 8.289 1.00 0.00 O ATOM 268 CB CYS A 129 17.041 5.061 9.091 1.00 0.00 C ATOM 269 SG CYS A 129 18.285 6.067 9.914 1.00 0.00 S ATOM 0 H CYS A 129 15.846 3.368 7.767 1.00 0.00 H new ATOM 0 HA CYS A 129 17.830 5.529 7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.106 5.615 9.012 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.834 4.168 9.681 1.00 0.00 H new ATOM 274 N PRO A 130 19.870 4.254 7.320 1.00 0.00 N ATOM 275 CA PRO A 130 21.131 3.473 7.344 1.00 0.00 C ATOM 276 C PRO A 130 21.755 3.472 8.746 1.00 0.00 C ATOM 277 O PRO A 130 22.605 2.658 9.051 1.00 0.00 O ATOM 278 CB PRO A 130 22.026 4.216 6.359 1.00 0.00 C ATOM 279 CG PRO A 130 21.508 5.621 6.331 1.00 0.00 C ATOM 280 CD PRO A 130 20.049 5.577 6.714 1.00 0.00 C ATOM 0 HA PRO A 130 20.982 2.425 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.068 4.188 6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.983 3.762 5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.067 6.249 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.630 6.055 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.798 6.373 7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.406 5.705 5.843 1.00 0.00 H new ATOM 288 N VAL A 131 21.357 4.380 9.596 1.00 0.00 N ATOM 289 CA VAL A 131 21.951 4.422 10.963 1.00 0.00 C ATOM 290 C VAL A 131 21.193 3.500 11.921 1.00 0.00 C ATOM 291 O VAL A 131 21.682 2.457 12.304 1.00 0.00 O ATOM 292 CB VAL A 131 21.841 5.886 11.400 1.00 0.00 C ATOM 293 CG1 VAL A 131 21.959 5.987 12.922 1.00 0.00 C ATOM 294 CG2 VAL A 131 22.974 6.686 10.752 1.00 0.00 C ATOM 0 H VAL A 131 20.651 5.090 9.405 1.00 0.00 H new ATOM 0 HA VAL A 131 22.984 4.074 10.969 1.00 0.00 H new ATOM 0 HB VAL A 131 20.875 6.285 11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.880 7.031 13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.158 5.412 13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.923 5.589 13.239 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.903 7.730 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.934 6.279 11.069 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.892 6.619 9.667 1.00 0.00 H new ATOM 304 N CYS A 132 20.009 3.873 12.321 1.00 0.00 N ATOM 305 CA CYS A 132 19.247 3.001 13.264 1.00 0.00 C ATOM 306 C CYS A 132 18.445 1.944 12.489 1.00 0.00 C ATOM 307 O CYS A 132 17.564 1.298 13.023 1.00 0.00 O ATOM 308 CB CYS A 132 18.339 3.950 14.054 1.00 0.00 C ATOM 309 SG CYS A 132 16.955 4.489 13.028 1.00 0.00 S ATOM 0 H CYS A 132 19.539 4.734 12.041 1.00 0.00 H new ATOM 0 HA CYS A 132 19.901 2.444 13.935 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.965 3.448 14.947 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.910 4.815 14.390 1.00 0.00 H new ATOM 314 N SER A 133 18.777 1.752 11.238 1.00 0.00 N ATOM 315 CA SER A 133 18.087 0.720 10.396 1.00 0.00 C ATOM 316 C SER A 133 16.562 0.784 10.526 1.00 0.00 C ATOM 317 O SER A 133 15.884 -0.218 10.421 1.00 0.00 O ATOM 318 CB SER A 133 18.610 -0.626 10.903 1.00 0.00 C ATOM 319 OG SER A 133 18.598 -0.639 12.323 1.00 0.00 O ATOM 0 H SER A 133 19.508 2.273 10.754 1.00 0.00 H new ATOM 0 HA SER A 133 18.297 0.882 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.992 -1.436 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.622 -0.795 10.537 1.00 0.00 H new ATOM 0 HG SER A 133 17.789 -0.191 12.647 1.00 0.00 H new ATOM 325 N SER A 134 16.012 1.946 10.725 1.00 0.00 N ATOM 326 CA SER A 134 14.529 2.052 10.826 1.00 0.00 C ATOM 327 C SER A 134 13.937 2.157 9.417 1.00 0.00 C ATOM 328 O SER A 134 14.608 1.894 8.439 1.00 0.00 O ATOM 329 CB SER A 134 14.277 3.331 11.614 1.00 0.00 C ATOM 330 OG SER A 134 14.232 3.027 13.002 1.00 0.00 O ATOM 0 H SER A 134 16.521 2.825 10.822 1.00 0.00 H new ATOM 0 HA SER A 134 14.072 1.189 11.311 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.066 4.056 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.338 3.787 11.299 1.00 0.00 H new ATOM 0 HG SER A 134 13.744 3.732 13.476 1.00 0.00 H new ATOM 336 N THR A 135 12.694 2.539 9.291 1.00 0.00 N ATOM 337 CA THR A 135 12.102 2.649 7.925 1.00 0.00 C ATOM 338 C THR A 135 10.863 3.546 7.923 1.00 0.00 C ATOM 339 O THR A 135 10.260 3.802 8.946 1.00 0.00 O ATOM 340 CB THR A 135 11.728 1.221 7.534 1.00 0.00 C ATOM 341 OG1 THR A 135 12.697 0.320 8.052 1.00 0.00 O ATOM 342 CG2 THR A 135 11.685 1.109 6.010 1.00 0.00 C ATOM 0 H THR A 135 12.070 2.777 10.062 1.00 0.00 H new ATOM 0 HA THR A 135 12.804 3.100 7.224 1.00 0.00 H new ATOM 0 HB THR A 135 10.749 0.973 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.457 -0.597 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.418 0.091 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.942 1.802 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.664 1.355 5.599 1.00 0.00 H new ATOM 350 N PHE A 136 10.479 4.019 6.767 1.00 0.00 N ATOM 351 CA PHE A 136 9.278 4.897 6.670 1.00 0.00 C ATOM 352 C PHE A 136 8.611 4.727 5.301 1.00 0.00 C ATOM 353 O PHE A 136 9.198 4.206 4.373 1.00 0.00 O ATOM 354 CB PHE A 136 9.808 6.323 6.823 1.00 0.00 C ATOM 355 CG PHE A 136 10.790 6.384 7.968 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.325 6.467 9.286 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.166 6.361 7.710 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.236 6.526 10.347 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.077 6.422 8.771 1.00 0.00 C ATOM 360 CZ PHE A 136 12.612 6.505 10.089 1.00 0.00 C ATOM 0 H PHE A 136 10.949 3.833 5.881 1.00 0.00 H new ATOM 0 HA PHE A 136 8.532 4.655 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.292 6.642 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.982 7.010 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.263 6.485 9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.524 6.296 6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.878 6.588 11.364 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.139 6.405 8.573 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.315 6.553 10.907 1.00 0.00 H new ATOM 370 N THR A 137 7.394 5.174 5.168 1.00 0.00 N ATOM 371 CA THR A 137 6.686 5.052 3.861 1.00 0.00 C ATOM 372 C THR A 137 6.310 6.443 3.344 1.00 0.00 C ATOM 373 O THR A 137 6.688 7.448 3.913 1.00 0.00 O ATOM 374 CB THR A 137 5.431 4.234 4.162 1.00 0.00 C ATOM 375 OG1 THR A 137 5.045 4.439 5.514 1.00 0.00 O ATOM 376 CG2 THR A 137 5.720 2.749 3.933 1.00 0.00 C ATOM 0 H THR A 137 6.856 5.621 5.911 1.00 0.00 H new ATOM 0 HA THR A 137 7.302 4.579 3.096 1.00 0.00 H new ATOM 0 HB THR A 137 4.624 4.552 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.239 3.916 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.824 2.167 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.015 2.591 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.527 2.430 4.592 1.00 0.00 H new ATOM 384 N ASP A 138 5.568 6.513 2.273 1.00 0.00 N ATOM 385 CA ASP A 138 5.175 7.846 1.733 1.00 0.00 C ATOM 386 C ASP A 138 4.467 8.661 2.815 1.00 0.00 C ATOM 387 O ASP A 138 4.819 9.792 3.082 1.00 0.00 O ATOM 388 CB ASP A 138 4.224 7.548 0.573 1.00 0.00 C ATOM 389 CG ASP A 138 3.227 6.464 0.991 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.224 6.811 1.592 1.00 0.00 O ATOM 391 OD2 ASP A 138 3.483 5.308 0.699 1.00 0.00 O ATOM 0 H ASP A 138 5.218 5.710 1.751 1.00 0.00 H new ATOM 0 HA ASP A 138 6.036 8.429 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.691 8.454 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.790 7.219 -0.299 1.00 0.00 H new ATOM 396 N LEU A 139 3.473 8.096 3.446 1.00 0.00 N ATOM 397 CA LEU A 139 2.756 8.848 4.512 1.00 0.00 C ATOM 398 C LEU A 139 3.773 9.439 5.494 1.00 0.00 C ATOM 399 O LEU A 139 3.532 10.450 6.125 1.00 0.00 O ATOM 400 CB LEU A 139 1.855 7.815 5.198 1.00 0.00 C ATOM 401 CG LEU A 139 2.667 6.985 6.195 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.530 7.592 7.592 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.139 5.550 6.211 1.00 0.00 C ATOM 0 H LEU A 139 3.129 7.152 3.270 1.00 0.00 H new ATOM 0 HA LEU A 139 2.171 9.681 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.038 8.320 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.405 7.161 4.451 1.00 0.00 H new ATOM 0 HG LEU A 139 3.716 6.984 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.108 7.002 8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.903 8.616 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.481 7.591 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.717 4.958 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.090 5.551 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.233 5.117 5.215 1.00 0.00 H new ATOM 415 N GLU A 140 4.914 8.815 5.617 1.00 0.00 N ATOM 416 CA GLU A 140 5.958 9.337 6.544 1.00 0.00 C ATOM 417 C GLU A 140 6.894 10.281 5.787 1.00 0.00 C ATOM 418 O GLU A 140 7.638 11.041 6.376 1.00 0.00 O ATOM 419 CB GLU A 140 6.718 8.100 7.025 1.00 0.00 C ATOM 420 CG GLU A 140 5.753 7.153 7.740 1.00 0.00 C ATOM 421 CD GLU A 140 6.387 6.666 9.044 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.574 7.482 9.929 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.672 5.483 9.134 1.00 0.00 O ATOM 0 H GLU A 140 5.168 7.965 5.114 1.00 0.00 H new ATOM 0 HA GLU A 140 5.534 9.899 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.181 7.593 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.522 8.394 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.813 7.664 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.518 6.304 7.098 1.00 0.00 H new ATOM 430 N ALA A 141 6.859 10.241 4.484 1.00 0.00 N ATOM 431 CA ALA A 141 7.740 11.137 3.684 1.00 0.00 C ATOM 432 C ALA A 141 7.265 12.586 3.815 1.00 0.00 C ATOM 433 O ALA A 141 7.958 13.512 3.450 1.00 0.00 O ATOM 434 CB ALA A 141 7.596 10.650 2.240 1.00 0.00 C ATOM 0 H ALA A 141 6.257 9.625 3.938 1.00 0.00 H new ATOM 0 HA ALA A 141 8.777 11.109 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.217 11.262 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.914 9.610 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.554 10.731 1.931 1.00 0.00 H new ATOM 440 N ASN A 142 6.083 12.786 4.333 1.00 0.00 N ATOM 441 CA ASN A 142 5.560 14.175 4.487 1.00 0.00 C ATOM 442 C ASN A 142 5.945 14.743 5.857 1.00 0.00 C ATOM 443 O ASN A 142 5.944 15.941 6.063 1.00 0.00 O ATOM 444 CB ASN A 142 4.040 14.040 4.374 1.00 0.00 C ATOM 445 CG ASN A 142 3.679 13.404 3.031 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.446 14.096 2.059 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.624 12.104 2.933 1.00 0.00 N ATOM 0 H ASN A 142 5.457 12.048 4.656 1.00 0.00 H new ATOM 0 HA ASN A 142 5.969 14.853 3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.657 13.429 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.570 15.020 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.386 11.669 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.819 11.522 3.748 1.00 0.00 H new ATOM 454 N GLN A 143 6.267 13.895 6.798 1.00 0.00 N ATOM 455 CA GLN A 143 6.643 14.396 8.153 1.00 0.00 C ATOM 456 C GLN A 143 8.162 14.326 8.348 1.00 0.00 C ATOM 457 O GLN A 143 8.711 14.946 9.238 1.00 0.00 O ATOM 458 CB GLN A 143 5.930 13.460 9.133 1.00 0.00 C ATOM 459 CG GLN A 143 6.666 12.119 9.195 1.00 0.00 C ATOM 460 CD GLN A 143 5.772 11.074 9.865 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.155 10.471 10.848 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.588 10.832 9.373 1.00 0.00 N ATOM 0 H GLN A 143 6.286 12.881 6.688 1.00 0.00 H new ATOM 0 HA GLN A 143 6.356 15.437 8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.896 13.913 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.898 13.305 8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.934 11.793 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.596 12.228 9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.265 11.338 8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.985 10.137 9.814 1.00 0.00 H new ATOM 471 N LEU A 144 8.844 13.575 7.528 1.00 0.00 N ATOM 472 CA LEU A 144 10.324 13.466 7.674 1.00 0.00 C ATOM 473 C LEU A 144 11.029 14.312 6.610 1.00 0.00 C ATOM 474 O LEU A 144 12.218 14.554 6.681 1.00 0.00 O ATOM 475 CB LEU A 144 10.632 11.981 7.471 1.00 0.00 C ATOM 476 CG LEU A 144 9.934 11.163 8.560 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.281 9.683 8.385 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.407 11.637 9.936 1.00 0.00 C ATOM 0 H LEU A 144 8.442 13.032 6.764 1.00 0.00 H new ATOM 0 HA LEU A 144 10.670 13.827 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.293 11.659 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.708 11.813 7.508 1.00 0.00 H new ATOM 0 HG LEU A 144 8.855 11.297 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.785 9.099 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.946 9.344 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.360 9.550 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.910 11.055 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.486 11.503 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.163 12.692 10.061 1.00 0.00 H new ATOM 490 N PHE A 145 10.306 14.765 5.623 1.00 0.00 N ATOM 491 CA PHE A 145 10.936 15.594 4.555 1.00 0.00 C ATOM 492 C PHE A 145 11.338 16.963 5.112 1.00 0.00 C ATOM 493 O PHE A 145 10.674 17.518 5.964 1.00 0.00 O ATOM 494 CB PHE A 145 9.851 15.745 3.487 1.00 0.00 C ATOM 495 CG PHE A 145 10.366 16.590 2.347 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.344 16.082 1.483 1.00 0.00 C ATOM 497 CD2 PHE A 145 9.861 17.880 2.149 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.816 16.865 0.422 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.333 18.663 1.090 1.00 0.00 C ATOM 500 CZ PHE A 145 11.310 18.156 0.226 1.00 0.00 C ATOM 0 H PHE A 145 9.306 14.597 5.509 1.00 0.00 H new ATOM 0 HA PHE A 145 11.843 15.138 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.553 14.764 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.963 16.206 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.734 15.086 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.106 18.272 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.570 16.473 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 145 9.943 19.659 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.674 18.760 -0.592 1.00 0.00 H new ATOM 510 N ASP A 146 12.422 17.511 4.633 1.00 0.00 N ATOM 511 CA ASP A 146 12.869 18.844 5.131 1.00 0.00 C ATOM 512 C ASP A 146 13.428 19.679 3.974 1.00 0.00 C ATOM 513 O ASP A 146 14.181 19.183 3.158 1.00 0.00 O ATOM 514 CB ASP A 146 13.965 18.545 6.158 1.00 0.00 C ATOM 515 CG ASP A 146 14.873 17.430 5.635 1.00 0.00 C ATOM 516 OD1 ASP A 146 14.476 16.279 5.721 1.00 0.00 O ATOM 517 OD2 ASP A 146 15.952 17.745 5.159 1.00 0.00 O ATOM 0 H ASP A 146 13.018 17.093 3.918 1.00 0.00 H new ATOM 0 HA ASP A 146 12.050 19.414 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.551 19.444 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 146 13.517 18.247 7.106 1.00 0.00 H new ATOM 522 N PRO A 147 13.032 20.922 3.940 1.00 0.00 N ATOM 523 CA PRO A 147 13.491 21.842 2.869 1.00 0.00 C ATOM 524 C PRO A 147 14.955 22.242 3.083 1.00 0.00 C ATOM 525 O PRO A 147 15.538 22.941 2.278 1.00 0.00 O ATOM 526 CB PRO A 147 12.572 23.050 3.019 1.00 0.00 C ATOM 527 CG PRO A 147 12.121 23.024 4.445 1.00 0.00 C ATOM 528 CD PRO A 147 12.127 21.583 4.886 1.00 0.00 C ATOM 0 HA PRO A 147 13.446 21.394 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.098 23.976 2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.724 22.987 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.785 23.621 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.123 23.452 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.480 21.482 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.127 21.151 4.849 1.00 0.00 H new ATOM 536 N MET A 148 15.554 21.807 4.157 1.00 0.00 N ATOM 537 CA MET A 148 16.979 22.170 4.411 1.00 0.00 C ATOM 538 C MET A 148 17.892 21.481 3.391 1.00 0.00 C ATOM 539 O MET A 148 19.065 21.783 3.291 1.00 0.00 O ATOM 540 CB MET A 148 17.277 21.667 5.824 1.00 0.00 C ATOM 541 CG MET A 148 17.325 20.138 5.824 1.00 0.00 C ATOM 542 SD MET A 148 18.008 19.558 7.397 1.00 0.00 S ATOM 543 CE MET A 148 16.461 19.576 8.336 1.00 0.00 C ATOM 0 H MET A 148 15.121 21.218 4.868 1.00 0.00 H new ATOM 0 HA MET A 148 17.151 23.242 4.318 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.228 22.071 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.510 22.017 6.515 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.324 19.732 5.678 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.938 19.782 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.679 19.724 9.394 1.00 0.00 H new ATOM 0 HE2 MET A 148 15.828 20.388 7.979 1.00 0.00 H new ATOM 0 HE3 MET A 148 15.943 18.626 8.202 1.00 0.00 H new ATOM 553 N THR A 149 17.363 20.558 2.632 1.00 0.00 N ATOM 554 CA THR A 149 18.204 19.853 1.621 1.00 0.00 C ATOM 555 C THR A 149 17.330 19.324 0.482 1.00 0.00 C ATOM 556 O THR A 149 17.646 19.481 -0.681 1.00 0.00 O ATOM 557 CB THR A 149 18.854 18.695 2.382 1.00 0.00 C ATOM 558 OG1 THR A 149 19.549 17.861 1.466 1.00 0.00 O ATOM 559 CG2 THR A 149 17.776 17.880 3.099 1.00 0.00 C ATOM 0 H THR A 149 16.387 20.262 2.668 1.00 0.00 H new ATOM 0 HA THR A 149 18.947 20.512 1.171 1.00 0.00 H new ATOM 0 HB THR A 149 19.553 19.092 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 149 19.019 17.056 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 149 18.242 17.056 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 149 17.243 18.520 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 149 17.074 17.482 2.367 1.00 0.00 H new ATOM 567 N GLY A 150 16.237 18.698 0.809 1.00 0.00 N ATOM 568 CA GLY A 150 15.341 18.155 -0.250 1.00 0.00 C ATOM 569 C GLY A 150 15.196 16.642 -0.075 1.00 0.00 C ATOM 570 O GLY A 150 14.942 15.921 -1.018 1.00 0.00 O ATOM 0 H GLY A 150 15.923 18.538 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.363 18.633 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.749 18.380 -1.236 1.00 0.00 H new ATOM 574 N THR A 151 15.357 16.153 1.125 1.00 0.00 N ATOM 575 CA THR A 151 15.228 14.685 1.356 1.00 0.00 C ATOM 576 C THR A 151 14.428 14.418 2.633 1.00 0.00 C ATOM 577 O THR A 151 13.834 15.313 3.203 1.00 0.00 O ATOM 578 CB THR A 151 16.664 14.172 1.507 1.00 0.00 C ATOM 579 OG1 THR A 151 17.578 15.204 1.159 1.00 0.00 O ATOM 580 CG2 THR A 151 16.878 12.968 0.589 1.00 0.00 C ATOM 0 H THR A 151 15.572 16.706 1.955 1.00 0.00 H new ATOM 0 HA THR A 151 14.703 14.187 0.541 1.00 0.00 H new ATOM 0 HB THR A 151 16.833 13.873 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.496 14.875 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.900 12.605 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.180 12.176 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.707 13.264 -0.446 1.00 0.00 H new ATOM 588 N PHE A 152 14.408 13.195 3.088 1.00 0.00 N ATOM 589 CA PHE A 152 13.648 12.871 4.329 1.00 0.00 C ATOM 590 C PHE A 152 14.615 12.510 5.458 1.00 0.00 C ATOM 591 O PHE A 152 15.570 11.785 5.260 1.00 0.00 O ATOM 592 CB PHE A 152 12.782 11.667 3.956 1.00 0.00 C ATOM 593 CG PHE A 152 12.040 11.962 2.674 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.979 12.874 2.675 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.414 11.324 1.485 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.290 13.149 1.487 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.727 11.599 0.297 1.00 0.00 C ATOM 598 CZ PHE A 152 10.665 12.511 0.298 1.00 0.00 C ATOM 0 H PHE A 152 14.886 12.405 2.654 1.00 0.00 H new ATOM 0 HA PHE A 152 13.048 13.710 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.405 10.781 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.075 11.451 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.691 13.366 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.233 10.620 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.470 13.852 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.016 11.108 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.135 12.723 -0.619 1.00 0.00 H new ATOM 608 N ARG A 153 14.382 13.014 6.639 1.00 0.00 N ATOM 609 CA ARG A 153 15.300 12.697 7.772 1.00 0.00 C ATOM 610 C ARG A 153 14.638 11.730 8.753 1.00 0.00 C ATOM 611 O ARG A 153 13.438 11.740 8.947 1.00 0.00 O ATOM 612 CB ARG A 153 15.579 14.035 8.456 1.00 0.00 C ATOM 613 CG ARG A 153 16.805 14.688 7.816 1.00 0.00 C ATOM 614 CD ARG A 153 18.035 14.436 8.691 1.00 0.00 C ATOM 615 NE ARG A 153 18.797 15.715 8.658 1.00 0.00 N ATOM 616 CZ ARG A 153 20.101 15.698 8.667 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.751 14.999 7.777 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.756 16.379 9.566 1.00 0.00 N ATOM 0 H ARG A 153 13.601 13.628 6.869 1.00 0.00 H new ATOM 0 HA ARG A 153 16.214 12.216 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.714 14.691 8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.749 13.882 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 153 16.967 14.282 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.641 15.759 7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.748 14.173 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.632 13.610 8.305 1.00 0.00 H new ATOM 0 HE ARG A 153 18.299 16.605 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.239 14.466 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.771 14.986 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.248 16.925 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.776 16.366 9.573 1.00 0.00 H new ATOM 632 N CYS A 154 15.423 10.902 9.383 1.00 0.00 N ATOM 633 CA CYS A 154 14.867 9.932 10.367 1.00 0.00 C ATOM 634 C CYS A 154 14.025 10.672 11.413 1.00 0.00 C ATOM 635 O CYS A 154 13.953 11.885 11.415 1.00 0.00 O ATOM 636 CB CYS A 154 16.102 9.309 11.012 1.00 0.00 C ATOM 637 SG CYS A 154 15.648 7.831 11.938 1.00 0.00 S ATOM 0 H CYS A 154 16.434 10.855 9.257 1.00 0.00 H new ATOM 0 HA CYS A 154 14.216 9.186 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.832 9.055 10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.577 10.031 11.677 1.00 0.00 H new ATOM 642 N THR A 155 13.387 9.958 12.300 1.00 0.00 N ATOM 643 CA THR A 155 12.553 10.636 13.335 1.00 0.00 C ATOM 644 C THR A 155 13.065 10.308 14.741 1.00 0.00 C ATOM 645 O THR A 155 12.785 11.014 15.690 1.00 0.00 O ATOM 646 CB THR A 155 11.136 10.088 13.138 1.00 0.00 C ATOM 647 OG1 THR A 155 11.118 9.188 12.038 1.00 0.00 O ATOM 648 CG2 THR A 155 10.175 11.247 12.865 1.00 0.00 C ATOM 0 H THR A 155 13.406 8.940 12.354 1.00 0.00 H new ATOM 0 HA THR A 155 12.587 11.721 13.234 1.00 0.00 H new ATOM 0 HB THR A 155 10.825 9.560 14.040 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.307 8.280 12.355 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.166 10.858 12.725 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.184 11.934 13.711 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.489 11.775 11.965 1.00 0.00 H new ATOM 656 N PHE A 156 13.819 9.252 14.888 1.00 0.00 N ATOM 657 CA PHE A 156 14.346 8.901 16.242 1.00 0.00 C ATOM 658 C PHE A 156 15.853 9.154 16.297 1.00 0.00 C ATOM 659 O PHE A 156 16.372 9.647 17.279 1.00 0.00 O ATOM 660 CB PHE A 156 14.036 7.414 16.495 1.00 0.00 C ATOM 661 CG PHE A 156 13.478 6.741 15.262 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.324 6.415 14.198 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.111 6.447 15.184 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.806 5.796 13.059 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.592 5.826 14.043 1.00 0.00 C ATOM 666 CZ PHE A 156 12.440 5.501 12.979 1.00 0.00 C ATOM 0 H PHE A 156 14.092 8.620 14.136 1.00 0.00 H new ATOM 0 HA PHE A 156 13.876 9.516 17.010 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.945 6.901 16.809 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.321 7.325 17.313 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.378 6.642 14.257 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.457 6.700 16.005 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.461 5.544 12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.538 5.598 13.984 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.041 5.023 12.097 1.00 0.00 H new ATOM 676 N CYS A 157 16.558 8.836 15.249 1.00 0.00 N ATOM 677 CA CYS A 157 18.027 9.081 15.247 1.00 0.00 C ATOM 678 C CYS A 157 18.368 10.174 14.213 1.00 0.00 C ATOM 679 O CYS A 157 19.515 10.422 13.898 1.00 0.00 O ATOM 680 CB CYS A 157 18.657 7.706 14.940 1.00 0.00 C ATOM 681 SG CYS A 157 19.170 7.570 13.211 1.00 0.00 S ATOM 0 H CYS A 157 16.183 8.419 14.397 1.00 0.00 H new ATOM 0 HA CYS A 157 18.416 9.459 16.192 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.519 7.549 15.588 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.939 6.918 15.169 1.00 0.00 H new ATOM 686 N HIS A 158 17.355 10.850 13.725 1.00 0.00 N ATOM 687 CA HIS A 158 17.548 11.970 12.747 1.00 0.00 C ATOM 688 C HIS A 158 18.598 11.664 11.670 1.00 0.00 C ATOM 689 O HIS A 158 19.196 12.566 11.117 1.00 0.00 O ATOM 690 CB HIS A 158 17.992 13.154 13.603 1.00 0.00 C ATOM 691 CG HIS A 158 16.816 13.666 14.387 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.115 14.801 14.014 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.197 13.201 15.522 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.125 14.981 14.907 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.130 14.032 15.848 1.00 0.00 N ATOM 0 H HIS A 158 16.381 10.669 13.969 1.00 0.00 H new ATOM 0 HA HIS A 158 16.629 12.156 12.192 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.791 12.850 14.280 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.394 13.945 12.970 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.494 12.323 16.077 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.414 15.793 14.868 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.489 13.937 16.636 1.00 0.00 H new ATOM 703 N THR A 159 18.818 10.424 11.338 1.00 0.00 N ATOM 704 CA THR A 159 19.814 10.123 10.268 1.00 0.00 C ATOM 705 C THR A 159 19.126 10.191 8.898 1.00 0.00 C ATOM 706 O THR A 159 17.931 10.010 8.787 1.00 0.00 O ATOM 707 CB THR A 159 20.298 8.703 10.560 1.00 0.00 C ATOM 708 OG1 THR A 159 21.170 8.726 11.683 1.00 0.00 O ATOM 709 CG2 THR A 159 21.043 8.148 9.342 1.00 0.00 C ATOM 0 H THR A 159 18.359 9.613 11.754 1.00 0.00 H new ATOM 0 HA THR A 159 20.642 10.831 10.252 1.00 0.00 H new ATOM 0 HB THR A 159 19.441 8.065 10.775 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.642 8.803 12.505 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.386 7.136 9.555 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.373 8.131 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.901 8.782 9.120 1.00 0.00 H new ATOM 717 N GLU A 160 19.864 10.452 7.855 1.00 0.00 N ATOM 718 CA GLU A 160 19.234 10.528 6.503 1.00 0.00 C ATOM 719 C GLU A 160 18.643 9.166 6.120 1.00 0.00 C ATOM 720 O GLU A 160 19.169 8.129 6.476 1.00 0.00 O ATOM 721 CB GLU A 160 20.366 10.912 5.551 1.00 0.00 C ATOM 722 CG GLU A 160 19.773 11.438 4.242 1.00 0.00 C ATOM 723 CD GLU A 160 20.788 12.351 3.550 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.810 11.846 3.116 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.523 13.540 3.465 1.00 0.00 O ATOM 0 H GLU A 160 20.871 10.615 7.877 1.00 0.00 H new ATOM 0 HA GLU A 160 18.418 11.250 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.998 11.673 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.000 10.047 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.512 10.606 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.852 11.986 4.442 1.00 0.00 H new ATOM 732 N VAL A 161 17.554 9.161 5.401 1.00 0.00 N ATOM 733 CA VAL A 161 16.930 7.865 5.000 1.00 0.00 C ATOM 734 C VAL A 161 17.012 7.678 3.481 1.00 0.00 C ATOM 735 O VAL A 161 17.286 8.605 2.745 1.00 0.00 O ATOM 736 CB VAL A 161 15.472 7.973 5.450 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.411 8.034 6.978 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.850 9.245 4.870 1.00 0.00 C ATOM 0 H VAL A 161 17.069 9.996 5.074 1.00 0.00 H new ATOM 0 HA VAL A 161 17.435 7.010 5.449 1.00 0.00 H new ATOM 0 HB VAL A 161 14.921 7.102 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.372 8.111 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.853 7.130 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.964 8.905 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.811 9.321 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.404 10.115 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.891 9.207 3.781 1.00 0.00 H new ATOM 748 N GLU A 162 16.778 6.483 3.009 1.00 0.00 N ATOM 749 CA GLU A 162 16.841 6.231 1.539 1.00 0.00 C ATOM 750 C GLU A 162 15.732 5.259 1.123 1.00 0.00 C ATOM 751 O GLU A 162 15.230 4.498 1.925 1.00 0.00 O ATOM 752 CB GLU A 162 18.218 5.607 1.305 1.00 0.00 C ATOM 753 CG GLU A 162 19.258 6.714 1.109 1.00 0.00 C ATOM 754 CD GLU A 162 19.724 6.725 -0.349 1.00 0.00 C ATOM 755 OE1 GLU A 162 18.945 6.334 -1.202 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.852 7.124 -0.586 1.00 0.00 O ATOM 0 H GLU A 162 16.546 5.669 3.578 1.00 0.00 H new ATOM 0 HA GLU A 162 16.701 7.141 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.494 4.981 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.191 4.960 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 162 18.829 7.681 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.108 6.551 1.772 1.00 0.00 H new ATOM 763 N GLU A 163 15.344 5.277 -0.124 1.00 0.00 N ATOM 764 CA GLU A 163 14.266 4.352 -0.581 1.00 0.00 C ATOM 765 C GLU A 163 14.660 2.898 -0.305 1.00 0.00 C ATOM 766 O GLU A 163 15.724 2.449 -0.682 1.00 0.00 O ATOM 767 CB GLU A 163 14.140 4.597 -2.085 1.00 0.00 C ATOM 768 CG GLU A 163 13.096 5.685 -2.341 1.00 0.00 C ATOM 769 CD GLU A 163 11.870 5.074 -3.022 1.00 0.00 C ATOM 770 OE1 GLU A 163 11.984 3.966 -3.521 1.00 0.00 O ATOM 771 OE2 GLU A 163 10.838 5.724 -3.033 1.00 0.00 O ATOM 0 H GLU A 163 15.725 5.890 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 163 13.325 4.529 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.103 4.899 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.852 3.676 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.806 6.153 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.520 6.469 -2.969 1.00 0.00 H new ATOM 778 N ASP A 164 13.806 2.158 0.347 1.00 0.00 N ATOM 779 CA ASP A 164 14.128 0.732 0.646 1.00 0.00 C ATOM 780 C ASP A 164 13.796 -0.148 -0.562 1.00 0.00 C ATOM 781 O ASP A 164 12.645 -0.378 -0.878 1.00 0.00 O ATOM 782 CB ASP A 164 13.239 0.368 1.836 1.00 0.00 C ATOM 783 CG ASP A 164 13.475 -1.094 2.222 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.276 -1.949 1.376 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.849 -1.332 3.359 1.00 0.00 O ATOM 0 H ASP A 164 12.899 2.478 0.686 1.00 0.00 H new ATOM 0 HA ASP A 164 15.185 0.583 0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.461 1.019 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.191 0.523 1.581 1.00 0.00 H new ATOM 790 N GLU A 165 14.795 -0.641 -1.242 1.00 0.00 N ATOM 791 CA GLU A 165 14.534 -1.504 -2.430 1.00 0.00 C ATOM 792 C GLU A 165 14.917 -2.956 -2.127 1.00 0.00 C ATOM 793 O GLU A 165 15.059 -3.769 -3.019 1.00 0.00 O ATOM 794 CB GLU A 165 15.426 -0.932 -3.536 1.00 0.00 C ATOM 795 CG GLU A 165 16.882 -1.335 -3.285 1.00 0.00 C ATOM 796 CD GLU A 165 17.758 -0.830 -4.431 1.00 0.00 C ATOM 797 OE1 GLU A 165 17.346 0.106 -5.098 1.00 0.00 O ATOM 798 OE2 GLU A 165 18.826 -1.387 -4.625 1.00 0.00 O ATOM 0 H GLU A 165 15.780 -0.484 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 165 13.482 -1.508 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 165 15.099 -1.301 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.338 0.154 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 165 17.227 -0.918 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 165 16.961 -2.419 -3.204 1.00 0.00 H new ATOM 805 N SER A 166 15.091 -3.286 -0.877 1.00 0.00 N ATOM 806 CA SER A 166 15.469 -4.685 -0.522 1.00 0.00 C ATOM 807 C SER A 166 14.305 -5.392 0.178 1.00 0.00 C ATOM 808 O SER A 166 14.275 -6.602 0.280 1.00 0.00 O ATOM 809 CB SER A 166 16.659 -4.543 0.425 1.00 0.00 C ATOM 810 OG SER A 166 17.801 -5.154 -0.161 1.00 0.00 O ATOM 0 H SER A 166 14.988 -2.650 -0.087 1.00 0.00 H new ATOM 0 HA SER A 166 15.715 -5.281 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 166 16.857 -3.490 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 166 16.434 -5.011 1.383 1.00 0.00 H new ATOM 0 HG SER A 166 18.567 -5.063 0.443 1.00 0.00 H new ATOM 816 N ALA A 167 13.347 -4.649 0.662 1.00 0.00 N ATOM 817 CA ALA A 167 12.190 -5.286 1.355 1.00 0.00 C ATOM 818 C ALA A 167 10.870 -4.784 0.763 1.00 0.00 C ATOM 819 O ALA A 167 10.709 -3.613 0.480 1.00 0.00 O ATOM 820 CB ALA A 167 12.317 -4.858 2.818 1.00 0.00 C ATOM 0 H ALA A 167 13.315 -3.631 0.608 1.00 0.00 H new ATOM 0 HA ALA A 167 12.193 -6.370 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 167 11.499 -5.288 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 167 13.268 -5.209 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 167 12.275 -3.771 2.884 1.00 0.00 H new ATOM 826 N MET A 168 9.923 -5.663 0.579 1.00 0.00 N ATOM 827 CA MET A 168 8.609 -5.242 0.011 1.00 0.00 C ATOM 828 C MET A 168 8.812 -4.482 -1.304 1.00 0.00 C ATOM 829 O MET A 168 8.462 -3.323 -1.411 1.00 0.00 O ATOM 830 CB MET A 168 7.996 -4.326 1.071 1.00 0.00 C ATOM 831 CG MET A 168 7.730 -5.129 2.345 1.00 0.00 C ATOM 832 SD MET A 168 6.232 -6.121 2.132 1.00 0.00 S ATOM 833 CE MET A 168 5.548 -5.853 3.786 1.00 0.00 C ATOM 0 H MET A 168 10.002 -6.656 0.798 1.00 0.00 H new ATOM 0 HA MET A 168 7.967 -6.094 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 168 8.671 -3.497 1.285 1.00 0.00 H new ATOM 0 HB3 MET A 168 7.067 -3.893 0.700 1.00 0.00 H new ATOM 0 HG2 MET A 168 8.579 -5.776 2.564 1.00 0.00 H new ATOM 0 HG3 MET A 168 7.615 -4.456 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 168 4.602 -6.386 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 168 6.249 -6.224 4.534 1.00 0.00 H new ATOM 0 HE3 MET A 168 5.381 -4.787 3.942 1.00 0.00 H new ATOM 843 N PRO A 169 9.368 -5.168 -2.265 1.00 0.00 N ATOM 844 CA PRO A 169 9.617 -4.556 -3.590 1.00 0.00 C ATOM 845 C PRO A 169 8.304 -4.434 -4.372 1.00 0.00 C ATOM 846 O PRO A 169 7.458 -5.304 -4.321 1.00 0.00 O ATOM 847 CB PRO A 169 10.563 -5.542 -4.268 1.00 0.00 C ATOM 848 CG PRO A 169 10.300 -6.857 -3.603 1.00 0.00 C ATOM 849 CD PRO A 169 9.816 -6.564 -2.204 1.00 0.00 C ATOM 0 HA PRO A 169 10.032 -3.550 -3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 169 10.372 -5.597 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 169 11.603 -5.239 -4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 169 9.553 -7.425 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 169 11.206 -7.462 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 169 9.004 -7.231 -1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 169 10.612 -6.695 -1.471 1.00 0.00 H new ATOM 857 N LYS A 170 8.128 -3.362 -5.095 1.00 0.00 N ATOM 858 CA LYS A 170 6.869 -3.191 -5.877 1.00 0.00 C ATOM 859 C LYS A 170 7.189 -2.746 -7.306 1.00 0.00 C ATOM 860 O LYS A 170 7.174 -1.573 -7.621 1.00 0.00 O ATOM 861 CB LYS A 170 6.088 -2.101 -5.139 1.00 0.00 C ATOM 862 CG LYS A 170 4.720 -1.919 -5.799 1.00 0.00 C ATOM 863 CD LYS A 170 3.746 -2.964 -5.253 1.00 0.00 C ATOM 864 CE LYS A 170 2.409 -2.848 -5.988 1.00 0.00 C ATOM 865 NZ LYS A 170 2.589 -3.633 -7.241 1.00 0.00 N ATOM 0 H LYS A 170 8.799 -2.598 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 170 6.302 -4.119 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 170 5.965 -2.373 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 170 6.642 -1.163 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 170 4.341 -0.916 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 170 4.810 -2.021 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 170 4.159 -3.964 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 170 3.599 -2.816 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.592 -3.246 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 170 2.167 -1.808 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 2.120 -3.142 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 3.604 -3.729 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 2.169 -4.577 -7.122 1.00 0.00 H new ATOM 879 N LYS A 171 7.477 -3.678 -8.174 1.00 0.00 N ATOM 880 CA LYS A 171 7.797 -3.311 -9.583 1.00 0.00 C ATOM 881 C LYS A 171 7.859 -4.569 -10.453 1.00 0.00 C ATOM 882 O LYS A 171 7.600 -5.664 -9.995 1.00 0.00 O ATOM 883 CB LYS A 171 9.169 -2.637 -9.516 1.00 0.00 C ATOM 884 CG LYS A 171 9.014 -1.137 -9.779 1.00 0.00 C ATOM 885 CD LYS A 171 9.956 -0.717 -10.909 1.00 0.00 C ATOM 886 CE LYS A 171 10.201 0.793 -10.838 1.00 0.00 C ATOM 887 NZ LYS A 171 8.852 1.393 -10.645 1.00 0.00 N ATOM 0 H LYS A 171 7.504 -4.677 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 171 7.044 -2.657 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 171 9.619 -2.801 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 171 9.840 -3.079 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 171 7.983 -0.909 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 171 9.240 -0.573 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 171 10.901 -1.253 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 171 9.523 -0.981 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 171 10.867 1.046 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 171 10.670 1.160 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 8.867 2.387 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 8.154 0.867 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 8.592 1.345 -9.639 1.00 0.00 H new ATOM 901 N ASP A 172 8.200 -4.422 -11.704 1.00 0.00 N ATOM 902 CA ASP A 172 8.278 -5.613 -12.599 1.00 0.00 C ATOM 903 C ASP A 172 9.272 -6.633 -12.036 1.00 0.00 C ATOM 904 O ASP A 172 9.764 -6.491 -10.934 1.00 0.00 O ATOM 905 CB ASP A 172 8.772 -5.068 -13.940 1.00 0.00 C ATOM 906 CG ASP A 172 7.581 -4.872 -14.882 1.00 0.00 C ATOM 907 OD1 ASP A 172 6.459 -4.947 -14.409 1.00 0.00 O ATOM 908 OD2 ASP A 172 7.813 -4.651 -16.059 1.00 0.00 O ATOM 0 H ASP A 172 8.428 -3.531 -12.145 1.00 0.00 H new ATOM 0 HA ASP A 172 7.319 -6.122 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 172 9.291 -4.121 -13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 172 9.490 -5.758 -14.383 1.00 0.00 H new ATOM 913 N ALA A 173 9.573 -7.658 -12.785 1.00 0.00 N ATOM 914 CA ALA A 173 10.536 -8.685 -12.294 1.00 0.00 C ATOM 915 C ALA A 173 10.010 -9.342 -11.015 1.00 0.00 C ATOM 916 O ALA A 173 9.672 -8.677 -10.056 1.00 0.00 O ATOM 917 CB ALA A 173 11.824 -7.913 -12.008 1.00 0.00 C ATOM 0 H ALA A 173 9.194 -7.829 -13.716 1.00 0.00 H new ATOM 0 HA ALA A 173 10.690 -9.485 -13.019 1.00 0.00 H new ATOM 0 HB1 ALA A 173 12.586 -8.600 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 173 12.175 -7.438 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 173 11.631 -7.149 -11.254 1.00 0.00 H new ATOM 923 N ARG A 174 9.939 -10.645 -10.992 1.00 0.00 N ATOM 924 CA ARG A 174 9.436 -11.343 -9.774 1.00 0.00 C ATOM 925 C ARG A 174 10.169 -10.830 -8.531 1.00 0.00 C ATOM 926 O ARG A 174 9.616 -10.948 -7.451 1.00 0.00 O ATOM 927 CB ARG A 174 9.749 -12.822 -10.007 1.00 0.00 C ATOM 928 CG ARG A 174 8.560 -13.673 -9.558 1.00 0.00 C ATOM 929 CD ARG A 174 8.971 -14.533 -8.360 1.00 0.00 C ATOM 930 NE ARG A 174 8.496 -15.905 -8.693 1.00 0.00 N ATOM 931 CZ ARG A 174 8.831 -16.912 -7.934 1.00 0.00 C ATOM 932 NH1 ARG A 174 9.945 -17.555 -8.156 1.00 0.00 N ATOM 933 NH2 ARG A 174 8.052 -17.278 -6.952 1.00 0.00 N ATOM 934 OXT ARG A 174 11.271 -10.328 -8.682 1.00 0.00 O ATOM 0 H ARG A 174 10.207 -11.256 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 174 8.372 -11.172 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.958 -12.998 -11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 174 10.643 -13.107 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.721 -13.031 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.224 -14.309 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.051 -14.514 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.516 -14.170 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 174 7.909 -16.057 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 174 10.554 -17.270 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 174 10.207 -18.342 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 174 7.181 -16.777 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.315 -18.065 -6.359 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.515 6.488 12.036 1.00 0.00 ZN