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 -71:sc= 0.924 USER MOD Set 1.2: A 151 THR OG1 : rot -80:sc= -0.792 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.055 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= 0 X(o=0,f=-0.31) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= 0.179 (180deg=0.128) USER MOD Single : A 133 SER OG : rot 49:sc= -0.651! USER MOD Single : A 134 SER OG : rot 150:sc= 1.23! USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -0.699 K(o=-0.7,f=-2.9!) USER MOD Single : A 143 GLN : amide:sc= -2.97! C(o=-3!,f=-2.1!) USER MOD Single : A 148 MET CE :methyl -152:sc= -0.546 (180deg=-1.7) USER MOD Single : A 155 THR OG1 : rot 92:sc= -0.238 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 79:sc= -1.39! 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+ 163:sc= -0.55 (180deg=-0.915) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 2.970 -15.956 -14.012 1.00 0.00 N ATOM 2 CA ARG A 113 1.926 -16.918 -13.556 1.00 0.00 C ATOM 3 C ARG A 113 1.169 -16.346 -12.354 1.00 0.00 C ATOM 4 O ARG A 113 -0.039 -16.212 -12.376 1.00 0.00 O ATOM 5 CB ARG A 113 2.695 -18.178 -13.158 1.00 0.00 C ATOM 6 CG ARG A 113 1.707 -19.278 -12.765 1.00 0.00 C ATOM 7 CD ARG A 113 1.293 -20.062 -14.012 1.00 0.00 C ATOM 8 NE ARG A 113 -0.121 -20.456 -13.764 1.00 0.00 N ATOM 9 CZ ARG A 113 -0.631 -21.484 -14.388 1.00 0.00 C ATOM 10 NH1 ARG A 113 -0.284 -22.694 -14.046 1.00 0.00 N ATOM 11 NH2 ARG A 113 -1.491 -21.300 -15.352 1.00 0.00 N ATOM 0 HA ARG A 113 1.185 -17.121 -14.329 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.318 -18.514 -13.987 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.363 -17.961 -12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.163 -19.948 -12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.829 -18.840 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.381 -19.451 -14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.927 -20.936 -14.158 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.691 -19.923 -13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.386 -22.838 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.683 -23.496 -14.534 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.765 -20.354 -15.618 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.890 -22.102 -15.840 1.00 0.00 H new ATOM 27 N ILE A 114 1.869 -16.006 -11.305 1.00 0.00 N ATOM 28 CA ILE A 114 1.186 -15.443 -10.105 1.00 0.00 C ATOM 29 C ILE A 114 1.348 -13.921 -10.069 1.00 0.00 C ATOM 30 O ILE A 114 1.464 -13.323 -9.018 1.00 0.00 O ATOM 31 CB ILE A 114 1.892 -16.083 -8.910 1.00 0.00 C ATOM 32 CG1 ILE A 114 1.914 -17.603 -9.088 1.00 0.00 C ATOM 33 CG2 ILE A 114 1.140 -15.731 -7.625 1.00 0.00 C ATOM 34 CD1 ILE A 114 0.499 -18.105 -9.380 1.00 0.00 C ATOM 0 H ILE A 114 2.882 -16.094 -11.227 1.00 0.00 H new ATOM 0 HA ILE A 114 0.116 -15.649 -10.106 1.00 0.00 H new ATOM 0 HB ILE A 114 2.914 -15.708 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.583 -17.874 -9.905 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.301 -18.079 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.643 -16.187 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.122 -14.648 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.118 -16.106 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.516 -19.187 -9.507 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.157 -17.847 -8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.129 -17.639 -10.293 1.00 0.00 H new ATOM 46 N GLU A 115 1.358 -13.290 -11.211 1.00 0.00 N ATOM 47 CA GLU A 115 1.514 -11.808 -11.242 1.00 0.00 C ATOM 48 C GLU A 115 1.395 -11.292 -12.678 1.00 0.00 C ATOM 49 O GLU A 115 0.730 -11.883 -13.507 1.00 0.00 O ATOM 50 CB GLU A 115 2.918 -11.549 -10.694 1.00 0.00 C ATOM 51 CG GLU A 115 2.896 -10.308 -9.799 1.00 0.00 C ATOM 52 CD GLU A 115 4.112 -9.434 -10.106 1.00 0.00 C ATOM 53 OE1 GLU A 115 5.221 -9.900 -9.898 1.00 0.00 O ATOM 54 OE2 GLU A 115 3.915 -8.313 -10.545 1.00 0.00 O ATOM 0 H GLU A 115 1.265 -13.736 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 115 0.747 -11.299 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.264 -12.413 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.620 -11.405 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.978 -9.744 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.903 -10.603 -8.750 1.00 0.00 H new ATOM 61 N THR A 116 2.034 -10.196 -12.980 1.00 0.00 N ATOM 62 CA THR A 116 1.958 -9.645 -14.364 1.00 0.00 C ATOM 63 C THR A 116 0.498 -9.557 -14.821 1.00 0.00 C ATOM 64 O THR A 116 0.119 -10.121 -15.828 1.00 0.00 O ATOM 65 CB THR A 116 2.731 -10.642 -15.229 1.00 0.00 C ATOM 66 OG1 THR A 116 3.687 -11.321 -14.426 1.00 0.00 O ATOM 67 CG2 THR A 116 3.447 -9.895 -16.356 1.00 0.00 C ATOM 0 H THR A 116 2.606 -9.657 -12.329 1.00 0.00 H new ATOM 0 HA THR A 116 2.372 -8.639 -14.431 1.00 0.00 H new ATOM 0 HB THR A 116 2.038 -11.365 -15.659 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.182 -11.962 -14.978 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.997 -10.606 -16.972 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.713 -9.374 -16.971 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.141 -9.171 -15.929 1.00 0.00 H new ATOM 75 N ASP A 117 -0.321 -8.853 -14.089 1.00 0.00 N ATOM 76 CA ASP A 117 -1.753 -8.731 -14.484 1.00 0.00 C ATOM 77 C ASP A 117 -2.081 -7.281 -14.853 1.00 0.00 C ATOM 78 O ASP A 117 -2.537 -6.996 -15.944 1.00 0.00 O ATOM 79 CB ASP A 117 -2.545 -9.164 -13.249 1.00 0.00 C ATOM 80 CG ASP A 117 -4.001 -8.715 -13.391 1.00 0.00 C ATOM 81 OD1 ASP A 117 -4.588 -8.991 -14.424 1.00 0.00 O ATOM 82 OD2 ASP A 117 -4.504 -8.104 -12.463 1.00 0.00 O ATOM 0 H ASP A 117 -0.061 -8.358 -13.236 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.993 -9.341 -15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.497 -10.247 -13.135 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.105 -8.729 -12.351 1.00 0.00 H new ATOM 87 N GLU A 118 -1.853 -6.362 -13.956 1.00 0.00 N ATOM 88 CA GLU A 118 -2.152 -4.933 -14.260 1.00 0.00 C ATOM 89 C GLU A 118 -1.487 -4.016 -13.231 1.00 0.00 C ATOM 90 O GLU A 118 -0.926 -4.468 -12.252 1.00 0.00 O ATOM 91 CB GLU A 118 -3.675 -4.820 -14.174 1.00 0.00 C ATOM 92 CG GLU A 118 -4.143 -5.252 -12.783 1.00 0.00 C ATOM 93 CD GLU A 118 -4.780 -4.060 -12.066 1.00 0.00 C ATOM 94 OE1 GLU A 118 -5.853 -3.652 -12.477 1.00 0.00 O ATOM 95 OE2 GLU A 118 -4.183 -3.576 -11.118 1.00 0.00 O ATOM 0 H GLU A 118 -1.473 -6.538 -13.026 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.774 -4.634 -15.238 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.985 -3.794 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.140 -5.446 -14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.862 -6.067 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.300 -5.629 -12.205 1.00 0.00 H new ATOM 102 N ARG A 119 -1.542 -2.730 -13.445 1.00 0.00 N ATOM 103 CA ARG A 119 -0.913 -1.782 -12.480 1.00 0.00 C ATOM 104 C ARG A 119 -1.635 -0.433 -12.519 1.00 0.00 C ATOM 105 O ARG A 119 -2.128 -0.013 -13.547 1.00 0.00 O ATOM 106 CB ARG A 119 0.532 -1.631 -12.960 1.00 0.00 C ATOM 107 CG ARG A 119 1.478 -1.696 -11.759 1.00 0.00 C ATOM 108 CD ARG A 119 2.754 -2.442 -12.154 1.00 0.00 C ATOM 109 NE ARG A 119 3.227 -1.765 -13.392 1.00 0.00 N ATOM 110 CZ ARG A 119 4.023 -2.391 -14.215 1.00 0.00 C ATOM 111 NH1 ARG A 119 5.128 -2.925 -13.773 1.00 0.00 N ATOM 112 NH2 ARG A 119 3.713 -2.480 -15.479 1.00 0.00 N ATOM 0 H ARG A 119 -1.996 -2.293 -14.247 1.00 0.00 H new ATOM 0 HA ARG A 119 -0.966 -2.141 -11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 119 0.775 -2.421 -13.671 1.00 0.00 H new ATOM 0 HB3 ARG A 119 0.656 -0.683 -13.483 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.723 -0.689 -11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.991 -2.203 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.503 -2.389 -11.364 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.554 -3.498 -12.333 1.00 0.00 H new ATOM 0 HE ARG A 119 2.929 -0.811 -13.597 1.00 0.00 H new ATOM 0 HH11 ARG A 119 5.369 -2.853 -12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 119 5.751 -3.414 -14.416 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.849 -2.061 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 119 4.334 -2.969 -16.123 1.00 0.00 H new ATOM 126 N ASP A 120 -1.701 0.248 -11.408 1.00 0.00 N ATOM 127 CA ASP A 120 -2.393 1.569 -11.384 1.00 0.00 C ATOM 128 C ASP A 120 -1.622 2.555 -10.501 1.00 0.00 C ATOM 129 O ASP A 120 -1.436 3.702 -10.853 1.00 0.00 O ATOM 130 CB ASP A 120 -3.772 1.282 -10.790 1.00 0.00 C ATOM 131 CG ASP A 120 -4.769 1.017 -11.920 1.00 0.00 C ATOM 132 OD1 ASP A 120 -5.264 1.978 -12.483 1.00 0.00 O ATOM 133 OD2 ASP A 120 -5.020 -0.144 -12.201 1.00 0.00 O ATOM 0 H ASP A 120 -1.306 -0.052 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 120 -2.461 2.018 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -3.721 0.419 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -4.104 2.128 -10.189 1.00 0.00 H new ATOM 138 N SER A 121 -1.174 2.116 -9.357 1.00 0.00 N ATOM 139 CA SER A 121 -0.415 3.030 -8.454 1.00 0.00 C ATOM 140 C SER A 121 0.229 2.234 -7.317 1.00 0.00 C ATOM 141 O SER A 121 0.201 2.637 -6.170 1.00 0.00 O ATOM 142 CB SER A 121 -1.460 3.999 -7.905 1.00 0.00 C ATOM 143 OG SER A 121 -0.840 5.248 -7.626 1.00 0.00 O ATOM 0 H SER A 121 -1.300 1.166 -9.008 1.00 0.00 H new ATOM 0 HA SER A 121 0.390 3.550 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.265 4.133 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.910 3.592 -6.999 1.00 0.00 H new ATOM 0 HG SER A 121 -1.508 5.873 -7.275 1.00 0.00 H new ATOM 149 N THR A 122 0.811 1.107 -7.623 1.00 0.00 N ATOM 150 CA THR A 122 1.459 0.289 -6.558 1.00 0.00 C ATOM 151 C THR A 122 2.825 0.879 -6.199 1.00 0.00 C ATOM 152 O THR A 122 3.477 0.444 -5.271 1.00 0.00 O ATOM 153 CB THR A 122 1.620 -1.104 -7.171 1.00 0.00 C ATOM 154 OG1 THR A 122 0.353 -1.576 -7.609 1.00 0.00 O ATOM 155 CG2 THR A 122 2.187 -2.061 -6.123 1.00 0.00 C ATOM 0 H THR A 122 0.866 0.717 -8.564 1.00 0.00 H new ATOM 0 HA THR A 122 0.872 0.264 -5.640 1.00 0.00 H new ATOM 0 HB THR A 122 2.302 -1.052 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.454 -2.467 -8.003 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.301 -3.053 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.158 -1.698 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.506 -2.115 -5.274 1.00 0.00 H new ATOM 163 N ASN A 123 3.263 1.869 -6.929 1.00 0.00 N ATOM 164 CA ASN A 123 4.586 2.489 -6.631 1.00 0.00 C ATOM 165 C ASN A 123 4.530 3.237 -5.297 1.00 0.00 C ATOM 166 O ASN A 123 4.728 4.435 -5.236 1.00 0.00 O ATOM 167 CB ASN A 123 4.831 3.466 -7.783 1.00 0.00 C ATOM 168 CG ASN A 123 5.410 2.708 -8.980 1.00 0.00 C ATOM 169 OD1 ASN A 123 4.759 1.853 -9.546 1.00 0.00 O ATOM 170 ND2 ASN A 123 6.616 2.988 -9.392 1.00 0.00 N ATOM 0 H ASN A 123 2.762 2.275 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 123 5.381 1.748 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.898 3.954 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.519 4.251 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.011 2.489 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 123 7.163 3.706 -8.917 1.00 0.00 H new ATOM 177 N ARG A 124 4.261 2.541 -4.226 1.00 0.00 N ATOM 178 CA ARG A 124 4.193 3.214 -2.897 1.00 0.00 C ATOM 179 C ARG A 124 5.545 3.841 -2.551 1.00 0.00 C ATOM 180 O ARG A 124 6.444 3.892 -3.367 1.00 0.00 O ATOM 181 CB ARG A 124 3.848 2.101 -1.908 1.00 0.00 C ATOM 182 CG ARG A 124 2.327 1.989 -1.777 1.00 0.00 C ATOM 183 CD ARG A 124 1.946 0.540 -1.469 1.00 0.00 C ATOM 184 NE ARG A 124 1.611 0.532 -0.019 1.00 0.00 N ATOM 185 CZ ARG A 124 1.777 -0.554 0.685 1.00 0.00 C ATOM 186 NH1 ARG A 124 2.963 -1.088 0.787 1.00 0.00 N ATOM 187 NH2 ARG A 124 0.759 -1.103 1.287 1.00 0.00 N ATOM 0 H ARG A 124 4.085 1.536 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 124 3.458 4.018 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.265 1.154 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.293 2.313 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 124 1.970 2.646 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.847 2.314 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.097 0.218 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.769 -0.140 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 124 1.251 1.377 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.759 -0.657 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.094 -1.937 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -0.167 -0.684 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.889 -1.952 1.837 1.00 0.00 H new ATOM 201 N ALA A 125 5.697 4.322 -1.347 1.00 0.00 N ATOM 202 CA ALA A 125 6.991 4.947 -0.952 1.00 0.00 C ATOM 203 C ALA A 125 7.534 4.288 0.318 1.00 0.00 C ATOM 204 O ALA A 125 6.831 4.127 1.295 1.00 0.00 O ATOM 205 CB ALA A 125 6.659 6.416 -0.691 1.00 0.00 C ATOM 0 H ALA A 125 4.981 4.309 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 125 7.755 4.831 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.564 6.946 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.257 6.865 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.919 6.486 0.107 1.00 0.00 H new ATOM 211 N SER A 126 8.780 3.905 0.310 1.00 0.00 N ATOM 212 CA SER A 126 9.370 3.260 1.517 1.00 0.00 C ATOM 213 C SER A 126 10.833 3.680 1.677 1.00 0.00 C ATOM 214 O SER A 126 11.664 3.404 0.836 1.00 0.00 O ATOM 215 CB SER A 126 9.270 1.758 1.252 1.00 0.00 C ATOM 216 OG SER A 126 10.190 1.071 2.090 1.00 0.00 O ATOM 0 H SER A 126 9.416 4.011 -0.480 1.00 0.00 H new ATOM 0 HA SER A 126 8.854 3.547 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.255 1.410 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.486 1.547 0.205 1.00 0.00 H new ATOM 0 HG SER A 126 10.127 0.107 1.924 1.00 0.00 H new ATOM 222 N PHE A 127 11.153 4.349 2.750 1.00 0.00 N ATOM 223 CA PHE A 127 12.561 4.787 2.961 1.00 0.00 C ATOM 224 C PHE A 127 13.186 4.020 4.127 1.00 0.00 C ATOM 225 O PHE A 127 12.522 3.680 5.087 1.00 0.00 O ATOM 226 CB PHE A 127 12.468 6.277 3.290 1.00 0.00 C ATOM 227 CG PHE A 127 11.563 6.956 2.293 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.173 6.872 2.440 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.112 7.668 1.221 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.333 7.500 1.514 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.272 8.297 0.296 1.00 0.00 C ATOM 232 CZ PHE A 127 9.882 8.214 0.442 1.00 0.00 C ATOM 0 H PHE A 127 10.501 4.611 3.489 1.00 0.00 H new ATOM 0 HA PHE A 127 13.185 4.600 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.082 6.414 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.460 6.729 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.750 6.323 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.184 7.732 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.261 7.434 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.696 8.847 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.234 8.700 -0.272 1.00 0.00 H new ATOM 242 N LYS A 128 14.458 3.745 4.051 1.00 0.00 N ATOM 243 CA LYS A 128 15.125 3.002 5.153 1.00 0.00 C ATOM 244 C LYS A 128 16.312 3.810 5.692 1.00 0.00 C ATOM 245 O LYS A 128 17.008 4.479 4.955 1.00 0.00 O ATOM 246 CB LYS A 128 15.590 1.686 4.520 1.00 0.00 C ATOM 247 CG LYS A 128 16.725 1.074 5.350 1.00 0.00 C ATOM 248 CD LYS A 128 16.388 -0.380 5.686 1.00 0.00 C ATOM 249 CE LYS A 128 16.059 -0.491 7.176 1.00 0.00 C ATOM 250 NZ LYS A 128 16.728 -1.745 7.624 1.00 0.00 N ATOM 0 H LYS A 128 15.064 4.003 3.272 1.00 0.00 H new ATOM 0 HA LYS A 128 14.462 2.825 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.755 0.987 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.930 1.864 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.662 1.122 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.868 1.646 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.541 -0.716 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.229 -1.027 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.429 0.373 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.982 -0.537 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.664 -1.822 8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.259 -2.564 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.728 -1.726 7.339 1.00 0.00 H new ATOM 264 N CYS A 129 16.539 3.749 6.976 1.00 0.00 N ATOM 265 CA CYS A 129 17.670 4.506 7.577 1.00 0.00 C ATOM 266 C CYS A 129 18.912 3.613 7.670 1.00 0.00 C ATOM 267 O CYS A 129 18.826 2.472 8.077 1.00 0.00 O ATOM 268 CB CYS A 129 17.177 4.892 8.969 1.00 0.00 C ATOM 269 SG CYS A 129 18.410 5.912 9.799 1.00 0.00 S ATOM 0 H CYS A 129 15.985 3.204 7.637 1.00 0.00 H new ATOM 0 HA CYS A 129 17.953 5.377 6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.235 5.436 8.892 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.980 3.995 9.556 1.00 0.00 H new ATOM 274 N PRO A 130 20.026 4.165 7.275 1.00 0.00 N ATOM 275 CA PRO A 130 21.301 3.410 7.298 1.00 0.00 C ATOM 276 C PRO A 130 21.903 3.370 8.708 1.00 0.00 C ATOM 277 O PRO A 130 22.699 2.509 9.023 1.00 0.00 O ATOM 278 CB PRO A 130 22.200 4.206 6.360 1.00 0.00 C ATOM 279 CG PRO A 130 21.655 5.602 6.372 1.00 0.00 C ATOM 280 CD PRO A 130 20.200 5.529 6.768 1.00 0.00 C ATOM 0 HA PRO A 130 21.175 2.369 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.236 4.186 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.186 3.788 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.211 6.223 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.760 6.061 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.958 6.270 7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.547 5.723 5.917 1.00 0.00 H new ATOM 288 N VAL A 131 21.546 4.297 9.555 1.00 0.00 N ATOM 289 CA VAL A 131 22.125 4.304 10.931 1.00 0.00 C ATOM 290 C VAL A 131 21.355 3.357 11.854 1.00 0.00 C ATOM 291 O VAL A 131 21.854 2.319 12.243 1.00 0.00 O ATOM 292 CB VAL A 131 22.011 5.755 11.408 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.079 5.811 12.938 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.174 6.562 10.822 1.00 0.00 C ATOM 0 H VAL A 131 20.883 5.046 9.357 1.00 0.00 H new ATOM 0 HA VAL A 131 23.158 3.957 10.939 1.00 0.00 H new ATOM 0 HB VAL A 131 21.059 6.171 11.078 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.997 6.847 13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.259 5.230 13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.029 5.397 13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.103 7.597 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.119 6.136 11.160 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.129 6.527 9.733 1.00 0.00 H new ATOM 304 N CYS A 132 20.155 3.704 12.222 1.00 0.00 N ATOM 305 CA CYS A 132 19.386 2.809 13.134 1.00 0.00 C ATOM 306 C CYS A 132 18.610 1.757 12.328 1.00 0.00 C ATOM 307 O CYS A 132 17.728 1.092 12.836 1.00 0.00 O ATOM 308 CB CYS A 132 18.456 3.733 13.925 1.00 0.00 C ATOM 309 SG CYS A 132 17.086 4.274 12.882 1.00 0.00 S ATOM 0 H CYS A 132 19.676 4.558 11.936 1.00 0.00 H new ATOM 0 HA CYS A 132 20.034 2.246 13.806 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.072 3.211 14.802 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.012 4.598 14.287 1.00 0.00 H new ATOM 314 N SER A 133 18.962 1.589 11.079 1.00 0.00 N ATOM 315 CA SER A 133 18.294 0.564 10.213 1.00 0.00 C ATOM 316 C SER A 133 16.769 0.627 10.321 1.00 0.00 C ATOM 317 O SER A 133 16.090 -0.368 10.162 1.00 0.00 O ATOM 318 CB SER A 133 18.809 -0.789 10.711 1.00 0.00 C ATOM 319 OG SER A 133 18.933 -0.764 12.127 1.00 0.00 O ATOM 0 H SER A 133 19.694 2.125 10.614 1.00 0.00 H new ATOM 0 HA SER A 133 18.526 0.735 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.125 -1.582 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.774 -1.011 10.256 1.00 0.00 H new ATOM 0 HG SER A 133 18.106 -0.417 12.522 1.00 0.00 H new ATOM 325 N SER A 134 16.223 1.779 10.567 1.00 0.00 N ATOM 326 CA SER A 134 14.741 1.886 10.656 1.00 0.00 C ATOM 327 C SER A 134 14.155 2.061 9.253 1.00 0.00 C ATOM 328 O SER A 134 14.869 2.039 8.270 1.00 0.00 O ATOM 329 CB SER A 134 14.484 3.128 11.500 1.00 0.00 C ATOM 330 OG SER A 134 14.750 2.832 12.864 1.00 0.00 O ATOM 0 H SER A 134 16.734 2.650 10.710 1.00 0.00 H new ATOM 0 HA SER A 134 14.282 0.999 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.118 3.948 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.451 3.455 11.382 1.00 0.00 H new ATOM 0 HG SER A 134 15.058 3.643 13.321 1.00 0.00 H new ATOM 336 N THR A 135 12.867 2.240 9.144 1.00 0.00 N ATOM 337 CA THR A 135 12.261 2.420 7.793 1.00 0.00 C ATOM 338 C THR A 135 11.059 3.361 7.858 1.00 0.00 C ATOM 339 O THR A 135 10.513 3.622 8.912 1.00 0.00 O ATOM 340 CB THR A 135 11.822 1.024 7.353 1.00 0.00 C ATOM 341 OG1 THR A 135 12.810 0.075 7.733 1.00 0.00 O ATOM 342 CG2 THR A 135 11.649 1.007 5.834 1.00 0.00 C ATOM 0 H THR A 135 12.212 2.269 9.925 1.00 0.00 H new ATOM 0 HA THR A 135 12.969 2.864 7.093 1.00 0.00 H new ATOM 0 HB THR A 135 10.876 0.768 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.528 -0.821 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.336 0.013 5.515 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.892 1.736 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.596 1.260 5.357 1.00 0.00 H new ATOM 350 N PHE A 136 10.644 3.870 6.731 1.00 0.00 N ATOM 351 CA PHE A 136 9.478 4.796 6.710 1.00 0.00 C ATOM 352 C PHE A 136 8.703 4.630 5.400 1.00 0.00 C ATOM 353 O PHE A 136 9.088 3.878 4.528 1.00 0.00 O ATOM 354 CB PHE A 136 10.087 6.195 6.801 1.00 0.00 C ATOM 355 CG PHE A 136 11.021 6.262 7.984 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.510 6.169 9.285 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.397 6.417 7.783 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.375 6.233 10.383 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.263 6.481 8.881 1.00 0.00 C ATOM 360 CZ PHE A 136 12.751 6.389 10.182 1.00 0.00 C ATOM 0 H PHE A 136 11.064 3.683 5.821 1.00 0.00 H new ATOM 0 HA PHE A 136 8.777 4.604 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.628 6.428 5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.298 6.940 6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.448 6.048 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.791 6.487 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.981 6.162 11.386 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.325 6.601 8.725 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.418 6.438 11.030 1.00 0.00 H new ATOM 370 N THR A 137 7.611 5.328 5.258 1.00 0.00 N ATOM 371 CA THR A 137 6.807 5.214 4.006 1.00 0.00 C ATOM 372 C THR A 137 6.393 6.604 3.518 1.00 0.00 C ATOM 373 O THR A 137 6.951 7.605 3.919 1.00 0.00 O ATOM 374 CB THR A 137 5.577 4.394 4.399 1.00 0.00 C ATOM 375 OG1 THR A 137 5.343 4.534 5.794 1.00 0.00 O ATOM 376 CG2 THR A 137 5.813 2.922 4.066 1.00 0.00 C ATOM 0 H THR A 137 7.239 5.973 5.955 1.00 0.00 H new ATOM 0 HA THR A 137 7.366 4.746 3.196 1.00 0.00 H new ATOM 0 HB THR A 137 4.709 4.754 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.554 4.011 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.935 2.340 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.992 2.815 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.681 2.559 4.617 1.00 0.00 H new ATOM 384 N ASP A 138 5.416 6.674 2.655 1.00 0.00 N ATOM 385 CA ASP A 138 4.967 8.003 2.147 1.00 0.00 C ATOM 386 C ASP A 138 4.425 8.843 3.305 1.00 0.00 C ATOM 387 O ASP A 138 4.754 10.002 3.450 1.00 0.00 O ATOM 388 CB ASP A 138 3.861 7.694 1.139 1.00 0.00 C ATOM 389 CG ASP A 138 2.873 6.700 1.752 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.095 5.509 1.608 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.911 7.147 2.355 1.00 0.00 O ATOM 0 H ASP A 138 4.910 5.871 2.280 1.00 0.00 H new ATOM 0 HA ASP A 138 5.778 8.570 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.343 8.611 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.291 7.280 0.227 1.00 0.00 H new ATOM 396 N LEU A 139 3.604 8.262 4.137 1.00 0.00 N ATOM 397 CA LEU A 139 3.054 9.026 5.290 1.00 0.00 C ATOM 398 C LEU A 139 4.205 9.621 6.099 1.00 0.00 C ATOM 399 O LEU A 139 4.138 10.740 6.569 1.00 0.00 O ATOM 400 CB LEU A 139 2.288 7.996 6.119 1.00 0.00 C ATOM 401 CG LEU A 139 0.844 7.917 5.622 1.00 0.00 C ATOM 402 CD1 LEU A 139 0.048 6.967 6.518 1.00 0.00 C ATOM 403 CD2 LEU A 139 0.214 9.310 5.670 1.00 0.00 C ATOM 0 H LEU A 139 3.292 7.294 4.068 1.00 0.00 H new ATOM 0 HA LEU A 139 2.411 9.851 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.766 7.020 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.307 8.274 7.173 1.00 0.00 H new ATOM 0 HG LEU A 139 0.831 7.546 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.981 6.910 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.498 5.975 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.060 7.338 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.816 9.256 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.226 9.680 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.782 9.988 5.033 1.00 0.00 H new ATOM 415 N GLU A 140 5.268 8.882 6.250 1.00 0.00 N ATOM 416 CA GLU A 140 6.438 9.398 7.014 1.00 0.00 C ATOM 417 C GLU A 140 7.286 10.293 6.106 1.00 0.00 C ATOM 418 O GLU A 140 8.171 10.994 6.555 1.00 0.00 O ATOM 419 CB GLU A 140 7.220 8.153 7.426 1.00 0.00 C ATOM 420 CG GLU A 140 6.275 7.158 8.103 1.00 0.00 C ATOM 421 CD GLU A 140 5.522 7.856 9.236 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.035 7.872 10.342 1.00 0.00 O ATOM 423 OE2 GLU A 140 4.444 8.365 8.978 1.00 0.00 O ATOM 0 H GLU A 140 5.377 7.939 5.876 1.00 0.00 H new ATOM 0 HA GLU A 140 6.148 9.995 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.682 7.695 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.027 8.426 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.569 6.759 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.841 6.313 8.495 1.00 0.00 H new ATOM 430 N ALA A 141 7.016 10.269 4.828 1.00 0.00 N ATOM 431 CA ALA A 141 7.796 11.115 3.882 1.00 0.00 C ATOM 432 C ALA A 141 7.325 12.568 3.972 1.00 0.00 C ATOM 433 O ALA A 141 8.099 13.493 3.834 1.00 0.00 O ATOM 434 CB ALA A 141 7.495 10.537 2.498 1.00 0.00 C ATOM 0 H ALA A 141 6.287 9.699 4.399 1.00 0.00 H new ATOM 0 HA ALA A 141 8.864 11.111 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.034 11.107 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.812 9.495 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.424 10.597 2.304 1.00 0.00 H new ATOM 440 N ASN A 142 6.058 12.772 4.207 1.00 0.00 N ATOM 441 CA ASN A 142 5.532 14.162 4.310 1.00 0.00 C ATOM 442 C ASN A 142 5.838 14.736 5.696 1.00 0.00 C ATOM 443 O ASN A 142 5.629 15.905 5.955 1.00 0.00 O ATOM 444 CB ASN A 142 4.023 14.029 4.103 1.00 0.00 C ATOM 445 CG ASN A 142 3.753 13.219 2.834 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.651 12.970 2.056 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.543 12.793 2.593 1.00 0.00 N ATOM 0 H ASN A 142 5.364 12.035 4.332 1.00 0.00 H new ATOM 0 HA ASN A 142 5.984 14.834 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.569 13.539 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.568 15.016 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.352 12.251 1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.789 13.002 3.247 1.00 0.00 H new ATOM 454 N GLN A 143 6.334 13.923 6.588 1.00 0.00 N ATOM 455 CA GLN A 143 6.656 14.420 7.956 1.00 0.00 C ATOM 456 C GLN A 143 8.173 14.401 8.178 1.00 0.00 C ATOM 457 O GLN A 143 8.698 15.118 9.008 1.00 0.00 O ATOM 458 CB GLN A 143 5.952 13.448 8.909 1.00 0.00 C ATOM 459 CG GLN A 143 6.747 12.144 9.000 1.00 0.00 C ATOM 460 CD GLN A 143 6.032 11.173 9.941 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.621 10.672 10.878 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.776 10.883 9.732 1.00 0.00 N ATOM 0 H GLN A 143 6.530 12.935 6.428 1.00 0.00 H new ATOM 0 HA GLN A 143 6.327 15.447 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.859 13.897 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.942 13.245 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.849 11.699 8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.754 12.345 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.280 11.303 8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.291 10.237 10.355 1.00 0.00 H new ATOM 471 N LEU A 144 8.879 13.589 7.439 1.00 0.00 N ATOM 472 CA LEU A 144 10.361 13.527 7.603 1.00 0.00 C ATOM 473 C LEU A 144 11.047 14.372 6.526 1.00 0.00 C ATOM 474 O LEU A 144 12.117 14.909 6.732 1.00 0.00 O ATOM 475 CB LEU A 144 10.720 12.050 7.424 1.00 0.00 C ATOM 476 CG LEU A 144 10.182 11.242 8.605 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.536 9.765 8.417 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.809 11.756 9.902 1.00 0.00 C ATOM 0 H LEU A 144 8.495 12.966 6.729 1.00 0.00 H new ATOM 0 HA LEU A 144 10.684 13.913 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.299 11.674 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.802 11.935 7.355 1.00 0.00 H new ATOM 0 HG LEU A 144 9.099 11.352 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.152 9.189 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.089 9.398 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.619 9.654 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.426 11.180 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.892 11.647 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.556 12.808 10.036 1.00 0.00 H new ATOM 490 N PHE A 145 10.439 14.488 5.378 1.00 0.00 N ATOM 491 CA PHE A 145 11.054 15.291 4.282 1.00 0.00 C ATOM 492 C PHE A 145 11.312 16.727 4.747 1.00 0.00 C ATOM 493 O PHE A 145 10.433 17.393 5.257 1.00 0.00 O ATOM 494 CB PHE A 145 10.022 15.271 3.154 1.00 0.00 C ATOM 495 CG PHE A 145 10.565 16.016 1.959 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.446 17.410 1.889 1.00 0.00 C ATOM 497 CD2 PHE A 145 11.185 15.314 0.919 1.00 0.00 C ATOM 498 CE1 PHE A 145 10.949 18.101 0.780 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.688 16.006 -0.190 1.00 0.00 C ATOM 500 CZ PHE A 145 11.570 17.398 -0.260 1.00 0.00 C ATOM 0 H PHE A 145 9.541 14.061 5.150 1.00 0.00 H new ATOM 0 HA PHE A 145 12.016 14.887 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.789 14.242 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.092 15.730 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 145 9.966 17.952 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.276 14.239 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.858 19.176 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 145 12.167 15.464 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.958 17.931 -1.116 1.00 0.00 H new ATOM 510 N ASP A 146 12.511 17.209 4.567 1.00 0.00 N ATOM 511 CA ASP A 146 12.829 18.603 4.990 1.00 0.00 C ATOM 512 C ASP A 146 13.189 19.450 3.766 1.00 0.00 C ATOM 513 O ASP A 146 13.905 19.005 2.891 1.00 0.00 O ATOM 514 CB ASP A 146 14.031 18.471 5.925 1.00 0.00 C ATOM 515 CG ASP A 146 13.544 18.410 7.376 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.093 19.429 7.873 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.630 17.344 7.964 1.00 0.00 O ATOM 0 H ASP A 146 13.286 16.697 4.145 1.00 0.00 H new ATOM 0 HA ASP A 146 11.987 19.091 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.597 17.572 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.704 19.318 5.791 1.00 0.00 H new ATOM 522 N PRO A 147 12.673 20.649 3.746 1.00 0.00 N ATOM 523 CA PRO A 147 12.936 21.575 2.619 1.00 0.00 C ATOM 524 C PRO A 147 14.366 22.125 2.690 1.00 0.00 C ATOM 525 O PRO A 147 14.773 22.926 1.873 1.00 0.00 O ATOM 526 CB PRO A 147 11.916 22.690 2.827 1.00 0.00 C ATOM 527 CG PRO A 147 11.602 22.663 4.289 1.00 0.00 C ATOM 528 CD PRO A 147 11.804 21.247 4.765 1.00 0.00 C ATOM 0 HA PRO A 147 12.847 21.095 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.322 23.657 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.021 22.522 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.251 23.348 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.576 22.986 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.268 21.220 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 147 10.857 20.714 4.844 1.00 0.00 H new ATOM 536 N MET A 148 15.130 21.704 3.662 1.00 0.00 N ATOM 537 CA MET A 148 16.528 22.208 3.781 1.00 0.00 C ATOM 538 C MET A 148 17.507 21.228 3.127 1.00 0.00 C ATOM 539 O MET A 148 18.622 21.581 2.794 1.00 0.00 O ATOM 540 CB MET A 148 16.787 22.300 5.284 1.00 0.00 C ATOM 541 CG MET A 148 16.906 20.893 5.871 1.00 0.00 C ATOM 542 SD MET A 148 16.290 20.893 7.572 1.00 0.00 S ATOM 543 CE MET A 148 16.727 19.185 7.974 1.00 0.00 C ATOM 0 H MET A 148 14.847 21.034 4.377 1.00 0.00 H new ATOM 0 HA MET A 148 16.663 23.168 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.702 22.862 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 148 15.975 22.841 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.337 20.186 5.267 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.945 20.566 5.850 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.044 18.803 8.733 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.654 18.570 7.077 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.748 19.151 8.355 1.00 0.00 H new ATOM 553 N THR A 149 17.103 20.001 2.941 1.00 0.00 N ATOM 554 CA THR A 149 18.015 19.004 2.309 1.00 0.00 C ATOM 555 C THR A 149 17.311 18.303 1.144 1.00 0.00 C ATOM 556 O THR A 149 17.894 17.493 0.451 1.00 0.00 O ATOM 557 CB THR A 149 18.339 18.003 3.420 1.00 0.00 C ATOM 558 OG1 THR A 149 19.173 16.977 2.900 1.00 0.00 O ATOM 559 CG2 THR A 149 17.045 17.391 3.953 1.00 0.00 C ATOM 0 H THR A 149 16.182 19.646 3.199 1.00 0.00 H new ATOM 0 HA THR A 149 18.914 19.468 1.902 1.00 0.00 H new ATOM 0 HB THR A 149 18.855 18.515 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.653 16.407 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.278 16.678 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.407 18.180 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.525 16.878 3.144 1.00 0.00 H new ATOM 567 N GLY A 150 16.062 18.609 0.922 1.00 0.00 N ATOM 568 CA GLY A 150 15.326 17.958 -0.198 1.00 0.00 C ATOM 569 C GLY A 150 15.337 16.440 -0.007 1.00 0.00 C ATOM 570 O GLY A 150 15.368 15.685 -0.960 1.00 0.00 O ATOM 0 H GLY A 150 15.520 19.280 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.299 18.323 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.789 18.218 -1.150 1.00 0.00 H new ATOM 574 N THR A 151 15.314 15.984 1.215 1.00 0.00 N ATOM 575 CA THR A 151 15.325 14.513 1.464 1.00 0.00 C ATOM 576 C THR A 151 14.560 14.188 2.751 1.00 0.00 C ATOM 577 O THR A 151 14.175 15.069 3.493 1.00 0.00 O ATOM 578 CB THR A 151 16.804 14.141 1.608 1.00 0.00 C ATOM 579 OG1 THR A 151 17.613 15.256 1.257 1.00 0.00 O ATOM 580 CG2 THR A 151 17.127 12.964 0.686 1.00 0.00 C ATOM 0 H THR A 151 15.288 16.566 2.053 1.00 0.00 H new ATOM 0 HA THR A 151 14.844 13.956 0.660 1.00 0.00 H new ATOM 0 HB THR A 151 17.007 13.859 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.682 15.316 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.179 12.700 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.510 12.108 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.923 13.244 -0.347 1.00 0.00 H new ATOM 588 N PHE A 152 14.337 12.930 3.023 1.00 0.00 N ATOM 589 CA PHE A 152 13.597 12.557 4.264 1.00 0.00 C ATOM 590 C PHE A 152 14.583 12.235 5.388 1.00 0.00 C ATOM 591 O PHE A 152 15.550 11.524 5.193 1.00 0.00 O ATOM 592 CB PHE A 152 12.786 11.317 3.887 1.00 0.00 C ATOM 593 CG PHE A 152 12.001 11.594 2.627 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.586 11.376 1.374 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.687 12.069 2.714 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.856 11.634 0.207 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.958 12.327 1.547 1.00 0.00 C ATOM 598 CZ PHE A 152 10.542 12.110 0.293 1.00 0.00 C ATOM 0 H PHE A 152 14.634 12.146 2.442 1.00 0.00 H new ATOM 0 HA PHE A 152 12.959 13.364 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.451 10.467 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.109 11.051 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.600 11.009 1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.236 12.236 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.307 11.466 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.944 12.694 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.979 12.310 -0.607 1.00 0.00 H new ATOM 608 N ARG A 153 14.352 12.755 6.563 1.00 0.00 N ATOM 609 CA ARG A 153 15.285 12.477 7.692 1.00 0.00 C ATOM 610 C ARG A 153 14.656 11.502 8.688 1.00 0.00 C ATOM 611 O ARG A 153 13.467 11.524 8.935 1.00 0.00 O ATOM 612 CB ARG A 153 15.524 13.830 8.361 1.00 0.00 C ATOM 613 CG ARG A 153 16.714 14.526 7.699 1.00 0.00 C ATOM 614 CD ARG A 153 17.290 15.572 8.655 1.00 0.00 C ATOM 615 NE ARG A 153 18.749 15.279 8.711 1.00 0.00 N ATOM 616 CZ ARG A 153 19.585 16.197 9.112 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.178 17.144 9.913 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.826 16.168 8.712 1.00 0.00 N ATOM 0 H ARG A 153 13.561 13.358 6.789 1.00 0.00 H new ATOM 0 HA ARG A 153 16.211 12.020 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.633 14.452 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.716 13.692 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.479 13.794 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.400 15.001 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.104 16.583 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.834 15.498 9.642 1.00 0.00 H new ATOM 0 HE ARG A 153 19.095 14.360 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.207 17.166 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.831 17.862 10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.143 15.428 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.480 16.886 9.025 1.00 0.00 H new ATOM 632 N CYS A 154 15.457 10.654 9.270 1.00 0.00 N ATOM 633 CA CYS A 154 14.929 9.679 10.266 1.00 0.00 C ATOM 634 C CYS A 154 14.064 10.405 11.303 1.00 0.00 C ATOM 635 O CYS A 154 13.954 11.615 11.289 1.00 0.00 O ATOM 636 CB CYS A 154 16.184 9.104 10.915 1.00 0.00 C ATOM 637 SG CYS A 154 15.772 7.631 11.873 1.00 0.00 S ATOM 0 H CYS A 154 16.461 10.594 9.098 1.00 0.00 H new ATOM 0 HA CYS A 154 14.300 8.908 9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.917 8.854 10.148 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.642 9.851 11.563 1.00 0.00 H new ATOM 642 N THR A 155 13.447 9.684 12.202 1.00 0.00 N ATOM 643 CA THR A 155 12.593 10.352 13.229 1.00 0.00 C ATOM 644 C THR A 155 13.138 10.102 14.638 1.00 0.00 C ATOM 645 O THR A 155 12.823 10.819 15.567 1.00 0.00 O ATOM 646 CB THR A 155 11.204 9.723 13.075 1.00 0.00 C ATOM 647 OG1 THR A 155 11.275 8.625 12.175 1.00 0.00 O ATOM 648 CG2 THR A 155 10.227 10.768 12.533 1.00 0.00 C ATOM 0 H THR A 155 13.497 8.667 12.270 1.00 0.00 H new ATOM 0 HA THR A 155 12.570 11.433 13.089 1.00 0.00 H new ATOM 0 HB THR A 155 10.856 9.371 14.046 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.448 7.801 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.239 10.320 12.424 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.170 11.607 13.226 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.574 11.122 11.562 1.00 0.00 H new ATOM 656 N PHE A 156 13.954 9.097 14.813 1.00 0.00 N ATOM 657 CA PHE A 156 14.505 8.827 16.176 1.00 0.00 C ATOM 658 C PHE A 156 16.014 9.066 16.191 1.00 0.00 C ATOM 659 O PHE A 156 16.559 9.587 17.144 1.00 0.00 O ATOM 660 CB PHE A 156 14.187 7.360 16.515 1.00 0.00 C ATOM 661 CG PHE A 156 13.679 6.612 15.304 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.566 6.235 14.291 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.318 6.299 15.196 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.094 5.547 13.171 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.846 5.610 14.075 1.00 0.00 C ATOM 666 CZ PHE A 156 12.734 5.233 13.061 1.00 0.00 C ATOM 0 H PHE A 156 14.261 8.457 14.081 1.00 0.00 H new ATOM 0 HA PHE A 156 14.059 9.494 16.914 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.083 6.871 16.897 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.440 7.322 17.308 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.616 6.476 14.375 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.633 6.590 15.979 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.779 5.257 12.388 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.797 5.369 13.991 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.371 4.700 12.195 1.00 0.00 H new ATOM 676 N CYS A 157 16.692 8.705 15.142 1.00 0.00 N ATOM 677 CA CYS A 157 18.164 8.930 15.101 1.00 0.00 C ATOM 678 C CYS A 157 18.487 9.973 14.014 1.00 0.00 C ATOM 679 O CYS A 157 19.606 10.100 13.558 1.00 0.00 O ATOM 680 CB CYS A 157 18.769 7.535 14.837 1.00 0.00 C ATOM 681 SG CYS A 157 19.309 7.344 13.120 1.00 0.00 S ATOM 0 H CYS A 157 16.294 8.265 14.312 1.00 0.00 H new ATOM 0 HA CYS A 157 18.583 9.339 16.020 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.617 7.375 15.503 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.030 6.769 15.072 1.00 0.00 H new ATOM 686 N HIS A 158 17.490 10.730 13.631 1.00 0.00 N ATOM 687 CA HIS A 158 17.655 11.809 12.604 1.00 0.00 C ATOM 688 C HIS A 158 18.757 11.504 11.585 1.00 0.00 C ATOM 689 O HIS A 158 19.420 12.401 11.100 1.00 0.00 O ATOM 690 CB HIS A 158 18.006 13.057 13.412 1.00 0.00 C ATOM 691 CG HIS A 158 16.739 13.676 13.932 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.076 14.684 13.251 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.993 13.430 15.057 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.982 15.005 13.966 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.883 14.270 15.077 1.00 0.00 N ATOM 0 H HIS A 158 16.542 10.644 13.997 1.00 0.00 H new ATOM 0 HA HIS A 158 16.747 11.919 12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.665 12.796 14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.545 13.770 12.788 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.231 12.696 15.813 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.271 15.764 13.677 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.152 14.315 15.787 1.00 0.00 H new ATOM 703 N THR A 159 18.949 10.268 11.223 1.00 0.00 N ATOM 704 CA THR A 159 19.993 9.963 10.206 1.00 0.00 C ATOM 705 C THR A 159 19.373 10.022 8.808 1.00 0.00 C ATOM 706 O THR A 159 18.277 9.545 8.587 1.00 0.00 O ATOM 707 CB THR A 159 20.470 8.546 10.521 1.00 0.00 C ATOM 708 OG1 THR A 159 21.288 8.577 11.683 1.00 0.00 O ATOM 709 CG2 THR A 159 21.275 7.999 9.337 1.00 0.00 C ATOM 0 H THR A 159 18.435 9.463 11.582 1.00 0.00 H new ATOM 0 HA THR A 159 20.819 10.674 10.231 1.00 0.00 H new ATOM 0 HB THR A 159 19.610 7.900 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.721 8.622 12.481 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.614 6.988 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.646 7.980 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.138 8.640 9.157 1.00 0.00 H new ATOM 717 N GLU A 160 20.059 10.602 7.863 1.00 0.00 N ATOM 718 CA GLU A 160 19.496 10.684 6.484 1.00 0.00 C ATOM 719 C GLU A 160 19.051 9.296 6.015 1.00 0.00 C ATOM 720 O GLU A 160 19.785 8.333 6.112 1.00 0.00 O ATOM 721 CB GLU A 160 20.643 11.201 5.615 1.00 0.00 C ATOM 722 CG GLU A 160 20.131 12.325 4.712 1.00 0.00 C ATOM 723 CD GLU A 160 21.216 12.703 3.702 1.00 0.00 C ATOM 724 OE1 GLU A 160 22.300 12.148 3.789 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.945 13.540 2.858 1.00 0.00 O ATOM 0 H GLU A 160 20.981 11.021 7.984 1.00 0.00 H new ATOM 0 HA GLU A 160 18.623 11.334 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.454 11.567 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.049 10.390 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.229 12.004 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.860 13.193 5.313 1.00 0.00 H new ATOM 732 N VAL A 161 17.853 9.188 5.510 1.00 0.00 N ATOM 733 CA VAL A 161 17.360 7.861 5.036 1.00 0.00 C ATOM 734 C VAL A 161 17.515 7.748 3.517 1.00 0.00 C ATOM 735 O VAL A 161 18.089 8.604 2.874 1.00 0.00 O ATOM 736 CB VAL A 161 15.882 7.828 5.424 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.743 7.998 6.937 1.00 0.00 C ATOM 738 CG2 VAL A 161 15.147 8.967 4.716 1.00 0.00 C ATOM 0 H VAL A 161 17.194 9.959 5.405 1.00 0.00 H new ATOM 0 HA VAL A 161 17.918 7.034 5.475 1.00 0.00 H new ATOM 0 HB VAL A 161 15.451 6.872 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.688 7.974 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.268 7.188 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.174 8.953 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 161 14.092 8.946 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.581 9.921 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.243 8.847 3.637 1.00 0.00 H new ATOM 748 N GLU A 162 16.999 6.697 2.939 1.00 0.00 N ATOM 749 CA GLU A 162 17.107 6.523 1.462 1.00 0.00 C ATOM 750 C GLU A 162 15.995 5.598 0.961 1.00 0.00 C ATOM 751 O GLU A 162 15.679 4.602 1.580 1.00 0.00 O ATOM 752 CB GLU A 162 18.480 5.887 1.233 1.00 0.00 C ATOM 753 CG GLU A 162 19.546 6.982 1.157 1.00 0.00 C ATOM 754 CD GLU A 162 20.663 6.540 0.212 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.969 5.359 0.199 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.195 7.390 -0.484 1.00 0.00 O ATOM 0 H GLU A 162 16.506 5.949 3.427 1.00 0.00 H new ATOM 0 HA GLU A 162 17.004 7.466 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.711 5.196 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.474 5.307 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.102 7.913 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.951 7.179 2.149 1.00 0.00 H new ATOM 763 N GLU A 163 15.398 5.918 -0.155 1.00 0.00 N ATOM 764 CA GLU A 163 14.307 5.053 -0.688 1.00 0.00 C ATOM 765 C GLU A 163 14.729 3.583 -0.639 1.00 0.00 C ATOM 766 O GLU A 163 15.788 3.215 -1.107 1.00 0.00 O ATOM 767 CB GLU A 163 14.107 5.509 -2.133 1.00 0.00 C ATOM 768 CG GLU A 163 12.632 5.364 -2.514 1.00 0.00 C ATOM 769 CD GLU A 163 12.131 6.674 -3.128 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.301 7.704 -2.497 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.588 6.624 -4.219 1.00 0.00 O ATOM 0 H GLU A 163 15.618 6.739 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 163 13.389 5.139 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.422 6.546 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.727 4.913 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.508 4.546 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.041 5.114 -1.633 1.00 0.00 H new ATOM 778 N ASP A 164 13.908 2.740 -0.075 1.00 0.00 N ATOM 779 CA ASP A 164 14.263 1.293 0.005 1.00 0.00 C ATOM 780 C ASP A 164 13.652 0.533 -1.174 1.00 0.00 C ATOM 781 O ASP A 164 12.452 0.362 -1.261 1.00 0.00 O ATOM 782 CB ASP A 164 13.661 0.811 1.326 1.00 0.00 C ATOM 783 CG ASP A 164 14.369 -0.471 1.769 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.435 -1.393 0.974 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.832 -0.507 2.897 1.00 0.00 O ATOM 0 H ASP A 164 13.007 2.989 0.334 1.00 0.00 H new ATOM 0 HA ASP A 164 15.340 1.128 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.768 1.581 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.593 0.627 1.206 1.00 0.00 H new ATOM 790 N GLU A 165 14.469 0.077 -2.083 1.00 0.00 N ATOM 791 CA GLU A 165 13.935 -0.671 -3.258 1.00 0.00 C ATOM 792 C GLU A 165 13.829 -2.164 -2.932 1.00 0.00 C ATOM 793 O GLU A 165 13.216 -2.924 -3.654 1.00 0.00 O ATOM 794 CB GLU A 165 14.954 -0.436 -4.374 1.00 0.00 C ATOM 795 CG GLU A 165 16.331 -0.926 -3.920 1.00 0.00 C ATOM 796 CD GLU A 165 17.085 -1.507 -5.117 1.00 0.00 C ATOM 797 OE1 GLU A 165 16.937 -0.970 -6.203 1.00 0.00 O ATOM 798 OE2 GLU A 165 17.797 -2.479 -4.929 1.00 0.00 O ATOM 0 H GLU A 165 15.483 0.189 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 165 12.937 -0.337 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 165 14.648 -0.964 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 165 14.998 0.624 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 165 16.897 -0.102 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 165 16.222 -1.683 -3.143 1.00 0.00 H new ATOM 805 N SER A 166 14.420 -2.587 -1.848 1.00 0.00 N ATOM 806 CA SER A 166 14.351 -4.030 -1.476 1.00 0.00 C ATOM 807 C SER A 166 13.183 -4.271 -0.515 1.00 0.00 C ATOM 808 O SER A 166 12.137 -4.753 -0.903 1.00 0.00 O ATOM 809 CB SER A 166 15.682 -4.326 -0.787 1.00 0.00 C ATOM 810 OG SER A 166 16.741 -4.169 -1.721 1.00 0.00 O ATOM 0 H SER A 166 14.947 -1.997 -1.204 1.00 0.00 H new ATOM 0 HA SER A 166 14.189 -4.673 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 166 15.825 -3.652 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 166 15.681 -5.341 -0.389 1.00 0.00 H new ATOM 0 HG SER A 166 17.596 -4.357 -1.281 1.00 0.00 H new ATOM 816 N ALA A 167 13.353 -3.936 0.734 1.00 0.00 N ATOM 817 CA ALA A 167 12.251 -4.144 1.720 1.00 0.00 C ATOM 818 C ALA A 167 11.764 -5.595 1.676 1.00 0.00 C ATOM 819 O ALA A 167 10.601 -5.875 1.882 1.00 0.00 O ATOM 820 CB ALA A 167 11.141 -3.193 1.276 1.00 0.00 C ATOM 0 H ALA A 167 14.206 -3.527 1.116 1.00 0.00 H new ATOM 0 HA ALA A 167 12.571 -3.950 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 167 10.291 -3.285 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 167 11.511 -2.168 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.828 -3.447 0.263 1.00 0.00 H new ATOM 826 N MET A 168 12.647 -6.520 1.410 1.00 0.00 N ATOM 827 CA MET A 168 12.230 -7.952 1.355 1.00 0.00 C ATOM 828 C MET A 168 13.367 -8.855 1.840 1.00 0.00 C ATOM 829 O MET A 168 14.494 -8.420 1.971 1.00 0.00 O ATOM 830 CB MET A 168 11.927 -8.220 -0.120 1.00 0.00 C ATOM 831 CG MET A 168 10.435 -8.004 -0.384 1.00 0.00 C ATOM 832 SD MET A 168 9.660 -9.583 -0.807 1.00 0.00 S ATOM 833 CE MET A 168 8.834 -9.034 -2.321 1.00 0.00 C ATOM 0 H MET A 168 13.636 -6.347 1.229 1.00 0.00 H new ATOM 0 HA MET A 168 11.370 -8.155 1.993 1.00 0.00 H new ATOM 0 HB2 MET A 168 12.518 -7.555 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 168 12.209 -9.240 -0.380 1.00 0.00 H new ATOM 0 HG2 MET A 168 9.957 -7.577 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 168 10.299 -7.291 -1.197 1.00 0.00 H new ATOM 0 HE1 MET A 168 8.284 -9.867 -2.758 1.00 0.00 H new ATOM 0 HE2 MET A 168 8.141 -8.226 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 168 9.578 -8.678 -3.033 1.00 0.00 H new ATOM 843 N PRO A 169 13.028 -10.090 2.092 1.00 0.00 N ATOM 844 CA PRO A 169 14.029 -11.077 2.568 1.00 0.00 C ATOM 845 C PRO A 169 14.966 -11.479 1.425 1.00 0.00 C ATOM 846 O PRO A 169 14.746 -11.135 0.281 1.00 0.00 O ATOM 847 CB PRO A 169 13.178 -12.261 3.017 1.00 0.00 C ATOM 848 CG PRO A 169 11.908 -12.144 2.235 1.00 0.00 C ATOM 849 CD PRO A 169 11.692 -10.679 1.957 1.00 0.00 C ATOM 0 HA PRO A 169 14.668 -10.693 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 169 13.680 -13.207 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 169 12.986 -12.225 4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 169 11.976 -12.707 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 169 11.070 -12.557 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 169 11.284 -10.518 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 169 10.989 -10.238 2.664 1.00 0.00 H new ATOM 857 N LYS A 170 16.010 -12.204 1.725 1.00 0.00 N ATOM 858 CA LYS A 170 16.956 -12.625 0.650 1.00 0.00 C ATOM 859 C LYS A 170 16.192 -13.293 -0.497 1.00 0.00 C ATOM 860 O LYS A 170 15.745 -12.641 -1.419 1.00 0.00 O ATOM 861 CB LYS A 170 17.903 -13.621 1.320 1.00 0.00 C ATOM 862 CG LYS A 170 19.170 -12.894 1.779 1.00 0.00 C ATOM 863 CD LYS A 170 20.103 -13.883 2.482 1.00 0.00 C ATOM 864 CE LYS A 170 21.543 -13.642 2.020 1.00 0.00 C ATOM 865 NZ LYS A 170 21.984 -14.942 1.445 1.00 0.00 N ATOM 0 H LYS A 170 16.249 -12.522 2.664 1.00 0.00 H new ATOM 0 HA LYS A 170 17.494 -11.780 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 170 17.411 -14.089 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 170 18.161 -14.418 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 170 19.675 -12.447 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 170 18.910 -12.080 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 170 20.031 -13.762 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 170 19.803 -14.906 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 170 21.592 -12.845 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 170 22.180 -13.342 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 22.829 -14.793 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 22.210 -15.603 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 21.221 -15.340 0.860 1.00 0.00 H new ATOM 879 N LYS A 171 16.036 -14.588 -0.448 1.00 0.00 N ATOM 880 CA LYS A 171 15.298 -15.290 -1.538 1.00 0.00 C ATOM 881 C LYS A 171 15.244 -16.795 -1.261 1.00 0.00 C ATOM 882 O LYS A 171 14.221 -17.328 -0.878 1.00 0.00 O ATOM 883 CB LYS A 171 16.104 -15.010 -2.807 1.00 0.00 C ATOM 884 CG LYS A 171 15.546 -15.847 -3.960 1.00 0.00 C ATOM 885 CD LYS A 171 16.247 -15.458 -5.262 1.00 0.00 C ATOM 886 CE LYS A 171 17.393 -16.435 -5.537 1.00 0.00 C ATOM 887 NZ LYS A 171 17.355 -16.669 -7.006 1.00 0.00 N ATOM 0 H LYS A 171 16.386 -15.190 0.297 1.00 0.00 H new ATOM 0 HA LYS A 171 14.267 -14.946 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 171 16.054 -13.950 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 171 17.155 -15.250 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 171 15.695 -16.908 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 171 14.472 -15.688 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 171 15.536 -15.473 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 171 16.632 -14.441 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 171 18.351 -16.017 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 171 17.259 -17.366 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 18.113 -17.330 -7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 16.434 -17.074 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 17.492 -15.767 -7.505 1.00 0.00 H new ATOM 901 N ASP A 172 16.336 -17.483 -1.454 1.00 0.00 N ATOM 902 CA ASP A 172 16.344 -18.953 -1.204 1.00 0.00 C ATOM 903 C ASP A 172 17.749 -19.420 -0.817 1.00 0.00 C ATOM 904 O ASP A 172 17.986 -19.851 0.294 1.00 0.00 O ATOM 905 CB ASP A 172 15.917 -19.581 -2.533 1.00 0.00 C ATOM 906 CG ASP A 172 14.632 -20.390 -2.335 1.00 0.00 C ATOM 907 OD1 ASP A 172 14.084 -20.341 -1.246 1.00 0.00 O ATOM 908 OD2 ASP A 172 14.219 -21.045 -3.277 1.00 0.00 O ATOM 0 H ASP A 172 17.222 -17.092 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 172 15.682 -19.236 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 172 15.756 -18.802 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 172 16.709 -20.227 -2.912 1.00 0.00 H new ATOM 913 N ALA A 173 18.683 -19.340 -1.725 1.00 0.00 N ATOM 914 CA ALA A 173 20.072 -19.784 -1.409 1.00 0.00 C ATOM 915 C ALA A 173 20.768 -18.758 -0.513 1.00 0.00 C ATOM 916 O ALA A 173 20.384 -17.607 -0.453 1.00 0.00 O ATOM 917 CB ALA A 173 20.777 -19.883 -2.761 1.00 0.00 C ATOM 0 H ALA A 173 18.545 -18.987 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 173 20.087 -20.733 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 173 21.807 -20.205 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 173 20.258 -20.607 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 173 20.769 -18.908 -3.248 1.00 0.00 H new ATOM 923 N ARG A 174 21.791 -19.168 0.185 1.00 0.00 N ATOM 924 CA ARG A 174 22.514 -18.219 1.078 1.00 0.00 C ATOM 925 C ARG A 174 23.642 -17.523 0.312 1.00 0.00 C ATOM 926 O ARG A 174 23.594 -17.529 -0.908 1.00 0.00 O ATOM 927 CB ARG A 174 23.085 -19.090 2.198 1.00 0.00 C ATOM 928 CG ARG A 174 22.140 -19.057 3.402 1.00 0.00 C ATOM 929 CD ARG A 174 20.920 -19.936 3.119 1.00 0.00 C ATOM 930 NE ARG A 174 20.597 -20.576 4.424 1.00 0.00 N ATOM 931 CZ ARG A 174 19.664 -21.487 4.493 1.00 0.00 C ATOM 932 NH1 ARG A 174 19.721 -22.538 3.721 1.00 0.00 N ATOM 933 NH2 ARG A 174 18.676 -21.345 5.333 1.00 0.00 N ATOM 934 OXT ARG A 174 24.532 -16.995 0.957 1.00 0.00 O ATOM 0 H ARG A 174 22.158 -20.120 0.176 1.00 0.00 H new ATOM 0 HA ARG A 174 21.862 -17.434 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 174 23.210 -20.115 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 174 24.072 -18.729 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 174 22.658 -19.411 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 174 21.825 -18.033 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 174 20.082 -19.343 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 174 21.140 -20.683 2.356 1.00 0.00 H new ATOM 0 HE ARG A 174 21.105 -20.303 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 174 20.494 -22.647 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 174 18.993 -23.250 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 174 18.633 -20.523 5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 174 17.947 -22.056 5.388 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.643 6.293 11.930 1.00 0.00 ZN