USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=15 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 -88:sc= 0.629! USER MOD Set 1.2: A 151 THR OG1 : rot -70:sc= 1.48 USER MOD Set 2.1: A 128 LYS NZ :NH3+ 152:sc= 0.0911 (180deg=0) USER MOD Set 2.2: A 135 THR OG1 : rot 177:sc= -1.61! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 62:sc= 0.2 USER MOD Single : A 123 ASN : amide:sc= -1.29 K(o=-1.3,f=-2) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 61:sc= -0.695! USER MOD Single : A 134 SER OG : rot 146:sc= 1.12 USER MOD Single : A 137 THR OG1 : rot -170:sc= -0.015 USER MOD Single : A 142 ASN : amide:sc= 0.941 K(o=0.94,f=-0.079) USER MOD Single : A 143 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.2) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 THR OG1 : rot 75:sc= -0.252 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 159 THR OG1 : rot 77:sc= -2.14! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl -161:sc= 0 (180deg=-0.0439) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -7.323 -4.855 -23.121 1.00 0.00 N ATOM 2 CA ARG A 113 -6.321 -4.017 -22.400 1.00 0.00 C ATOM 3 C ARG A 113 -6.247 -2.623 -23.030 1.00 0.00 C ATOM 4 O ARG A 113 -5.545 -2.405 -23.998 1.00 0.00 O ATOM 5 CB ARG A 113 -4.991 -4.754 -22.569 1.00 0.00 C ATOM 6 CG ARG A 113 -3.961 -4.178 -21.596 1.00 0.00 C ATOM 7 CD ARG A 113 -3.050 -5.299 -21.092 1.00 0.00 C ATOM 8 NE ARG A 113 -3.606 -5.677 -19.764 1.00 0.00 N ATOM 9 CZ ARG A 113 -3.034 -5.251 -18.670 1.00 0.00 C ATOM 10 NH1 ARG A 113 -1.739 -5.338 -18.533 1.00 0.00 N ATOM 11 NH2 ARG A 113 -3.759 -4.739 -17.713 1.00 0.00 N ATOM 0 HA ARG A 113 -6.578 -3.878 -21.350 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -5.127 -5.819 -22.382 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -4.635 -4.653 -23.594 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -3.368 -3.409 -22.091 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.466 -3.700 -20.756 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.051 -6.147 -21.777 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.017 -4.960 -21.006 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.435 -6.269 -19.708 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.173 -5.739 -19.281 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.293 -5.005 -17.678 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.771 -4.672 -17.820 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.313 -4.406 -16.858 1.00 0.00 H new ATOM 27 N ILE A 114 -6.967 -1.679 -22.488 1.00 0.00 N ATOM 28 CA ILE A 114 -6.939 -0.300 -23.056 1.00 0.00 C ATOM 29 C ILE A 114 -6.153 0.638 -22.134 1.00 0.00 C ATOM 30 O ILE A 114 -5.793 1.734 -22.510 1.00 0.00 O ATOM 31 CB ILE A 114 -8.405 0.125 -23.135 1.00 0.00 C ATOM 32 CG1 ILE A 114 -9.172 -0.857 -24.024 1.00 0.00 C ATOM 33 CG2 ILE A 114 -8.499 1.530 -23.734 1.00 0.00 C ATOM 34 CD1 ILE A 114 -10.507 -1.208 -23.365 1.00 0.00 C ATOM 0 H ILE A 114 -7.573 -1.802 -21.677 1.00 0.00 H new ATOM 0 HA ILE A 114 -6.452 -0.264 -24.031 1.00 0.00 H new ATOM 0 HB ILE A 114 -8.836 0.127 -22.134 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.344 -0.417 -25.006 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.582 -1.761 -24.179 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.545 1.832 -23.790 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.952 2.231 -23.104 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.068 1.528 -24.735 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -11.053 -1.907 -23.998 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.324 -1.666 -22.393 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.097 -0.301 -23.233 1.00 0.00 H new ATOM 46 N GLU A 115 -5.884 0.212 -20.930 1.00 0.00 N ATOM 47 CA GLU A 115 -5.120 1.077 -19.984 1.00 0.00 C ATOM 48 C GLU A 115 -3.877 0.335 -19.483 1.00 0.00 C ATOM 49 O GLU A 115 -3.903 -0.862 -19.272 1.00 0.00 O ATOM 50 CB GLU A 115 -6.086 1.353 -18.832 1.00 0.00 C ATOM 51 CG GLU A 115 -7.245 2.217 -19.332 1.00 0.00 C ATOM 52 CD GLU A 115 -7.957 2.856 -18.138 1.00 0.00 C ATOM 53 OE1 GLU A 115 -7.430 2.767 -17.042 1.00 0.00 O ATOM 54 OE2 GLU A 115 -9.018 3.424 -18.341 1.00 0.00 O ATOM 0 H GLU A 115 -6.160 -0.697 -20.560 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.773 1.999 -20.450 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.466 0.414 -18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.565 1.860 -18.020 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.873 2.991 -20.004 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.946 1.609 -19.904 1.00 0.00 H new ATOM 61 N THR A 116 -2.788 1.031 -19.294 1.00 0.00 N ATOM 62 CA THR A 116 -1.549 0.353 -18.812 1.00 0.00 C ATOM 63 C THR A 116 -1.105 0.935 -17.465 1.00 0.00 C ATOM 64 O THR A 116 -1.323 0.347 -16.424 1.00 0.00 O ATOM 65 CB THR A 116 -0.501 0.631 -19.890 1.00 0.00 C ATOM 66 OG1 THR A 116 -0.466 2.024 -20.168 1.00 0.00 O ATOM 67 CG2 THR A 116 -0.861 -0.136 -21.164 1.00 0.00 C ATOM 0 H THR A 116 -2.702 2.035 -19.452 1.00 0.00 H new ATOM 0 HA THR A 116 -1.701 -0.715 -18.655 1.00 0.00 H new ATOM 0 HB THR A 116 0.478 0.306 -19.537 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.207 2.203 -20.858 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.113 0.063 -21.932 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.887 -1.205 -20.950 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.840 0.187 -21.519 1.00 0.00 H new ATOM 75 N ASP A 117 -0.478 2.080 -17.476 1.00 0.00 N ATOM 76 CA ASP A 117 -0.017 2.687 -16.193 1.00 0.00 C ATOM 77 C ASP A 117 -0.848 3.928 -15.858 1.00 0.00 C ATOM 78 O ASP A 117 -1.061 4.251 -14.706 1.00 0.00 O ATOM 79 CB ASP A 117 1.442 3.073 -16.440 1.00 0.00 C ATOM 80 CG ASP A 117 2.279 2.714 -15.211 1.00 0.00 C ATOM 81 OD1 ASP A 117 2.722 1.580 -15.131 1.00 0.00 O ATOM 82 OD2 ASP A 117 2.464 3.579 -14.371 1.00 0.00 O ATOM 0 H ASP A 117 -0.265 2.620 -18.315 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.124 2.000 -15.353 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.824 2.552 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.517 4.141 -16.645 1.00 0.00 H new ATOM 87 N GLU A 118 -1.317 4.629 -16.854 1.00 0.00 N ATOM 88 CA GLU A 118 -2.132 5.852 -16.591 1.00 0.00 C ATOM 89 C GLU A 118 -1.251 6.963 -16.011 1.00 0.00 C ATOM 90 O GLU A 118 -1.167 8.047 -16.551 1.00 0.00 O ATOM 91 CB GLU A 118 -3.190 5.423 -15.574 1.00 0.00 C ATOM 92 CG GLU A 118 -4.543 6.023 -15.961 1.00 0.00 C ATOM 93 CD GLU A 118 -5.282 5.056 -16.886 1.00 0.00 C ATOM 94 OE1 GLU A 118 -4.617 4.314 -17.590 1.00 0.00 O ATOM 95 OE2 GLU A 118 -6.502 5.072 -16.875 1.00 0.00 O ATOM 0 H GLU A 118 -1.172 4.409 -17.839 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.583 6.245 -17.502 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.258 4.336 -15.541 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.905 5.755 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.137 6.214 -15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.399 6.982 -16.459 1.00 0.00 H new ATOM 102 N ARG A 119 -0.594 6.703 -14.912 1.00 0.00 N ATOM 103 CA ARG A 119 0.277 7.749 -14.300 1.00 0.00 C ATOM 104 C ARG A 119 1.391 7.096 -13.476 1.00 0.00 C ATOM 105 O ARG A 119 1.362 5.913 -13.202 1.00 0.00 O ATOM 106 CB ARG A 119 -0.654 8.558 -13.397 1.00 0.00 C ATOM 107 CG ARG A 119 -0.259 10.035 -13.448 1.00 0.00 C ATOM 108 CD ARG A 119 -1.486 10.904 -13.165 1.00 0.00 C ATOM 109 NE ARG A 119 -2.008 10.419 -11.858 1.00 0.00 N ATOM 110 CZ ARG A 119 -3.291 10.251 -11.690 1.00 0.00 C ATOM 111 NH1 ARG A 119 -4.091 11.282 -11.687 1.00 0.00 N ATOM 112 NH2 ARG A 119 -3.776 9.050 -11.526 1.00 0.00 N ATOM 0 H ARG A 119 -0.622 5.814 -14.413 1.00 0.00 H new ATOM 0 HA ARG A 119 0.763 8.373 -15.050 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.688 8.436 -13.720 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -0.595 8.190 -12.373 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.521 10.239 -12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.153 10.278 -14.427 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.219 11.960 -13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.233 10.800 -13.952 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.363 10.218 -11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.714 12.221 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -5.094 11.149 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.152 8.243 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.779 8.919 -11.395 1.00 0.00 H new ATOM 126 N ASP A 120 2.376 7.859 -13.080 1.00 0.00 N ATOM 127 CA ASP A 120 3.490 7.280 -12.275 1.00 0.00 C ATOM 128 C ASP A 120 3.779 8.162 -11.057 1.00 0.00 C ATOM 129 O ASP A 120 4.885 8.201 -10.555 1.00 0.00 O ATOM 130 CB ASP A 120 4.692 7.255 -13.220 1.00 0.00 C ATOM 131 CG ASP A 120 5.023 8.679 -13.668 1.00 0.00 C ATOM 132 OD1 ASP A 120 4.108 9.482 -13.751 1.00 0.00 O ATOM 133 OD2 ASP A 120 6.186 8.944 -13.923 1.00 0.00 O ATOM 0 H ASP A 120 2.457 8.856 -13.279 1.00 0.00 H new ATOM 0 HA ASP A 120 3.251 6.287 -11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 120 5.552 6.812 -12.719 1.00 0.00 H new ATOM 0 HB3 ASP A 120 4.473 6.632 -14.087 1.00 0.00 H new ATOM 138 N SER A 121 2.792 8.866 -10.576 1.00 0.00 N ATOM 139 CA SER A 121 3.009 9.741 -9.388 1.00 0.00 C ATOM 140 C SER A 121 2.408 9.091 -8.139 1.00 0.00 C ATOM 141 O SER A 121 2.797 9.386 -7.026 1.00 0.00 O ATOM 142 CB SER A 121 2.281 11.044 -9.716 1.00 0.00 C ATOM 143 OG SER A 121 3.220 12.112 -9.741 1.00 0.00 O ATOM 0 H SER A 121 1.844 8.874 -10.954 1.00 0.00 H new ATOM 0 HA SER A 121 4.067 9.906 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.780 10.962 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.509 11.240 -8.972 1.00 0.00 H new ATOM 0 HG SER A 121 2.757 12.950 -9.953 1.00 0.00 H new ATOM 149 N THR A 122 1.465 8.208 -8.317 1.00 0.00 N ATOM 150 CA THR A 122 0.839 7.538 -7.140 1.00 0.00 C ATOM 151 C THR A 122 1.356 6.102 -7.011 1.00 0.00 C ATOM 152 O THR A 122 0.703 5.158 -7.407 1.00 0.00 O ATOM 153 CB THR A 122 -0.661 7.543 -7.435 1.00 0.00 C ATOM 154 OG1 THR A 122 -0.880 7.098 -8.767 1.00 0.00 O ATOM 155 CG2 THR A 122 -1.209 8.961 -7.272 1.00 0.00 C ATOM 0 H THR A 122 1.100 7.921 -9.225 1.00 0.00 H new ATOM 0 HA THR A 122 1.073 8.044 -6.203 1.00 0.00 H new ATOM 0 HB THR A 122 -1.172 6.877 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.561 6.176 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.278 8.964 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.039 9.302 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.701 9.630 -7.967 1.00 0.00 H new ATOM 163 N ASN A 123 2.525 5.932 -6.458 1.00 0.00 N ATOM 164 CA ASN A 123 3.084 4.559 -6.302 1.00 0.00 C ATOM 165 C ASN A 123 3.535 4.338 -4.855 1.00 0.00 C ATOM 166 O ASN A 123 4.319 3.455 -4.567 1.00 0.00 O ATOM 167 CB ASN A 123 4.280 4.510 -7.254 1.00 0.00 C ATOM 168 CG ASN A 123 3.815 4.841 -8.673 1.00 0.00 C ATOM 169 OD1 ASN A 123 2.695 4.549 -9.041 1.00 0.00 O ATOM 170 ND2 ASN A 123 4.635 5.442 -9.491 1.00 0.00 N ATOM 0 H ASN A 123 3.118 6.684 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 123 2.353 3.783 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.042 5.221 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.737 3.521 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 123 4.335 5.667 -10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.576 5.687 -9.182 1.00 0.00 H new ATOM 177 N ARG A 124 3.043 5.133 -3.943 1.00 0.00 N ATOM 178 CA ARG A 124 3.440 4.970 -2.514 1.00 0.00 C ATOM 179 C ARG A 124 4.938 5.241 -2.346 1.00 0.00 C ATOM 180 O ARG A 124 5.562 5.867 -3.180 1.00 0.00 O ATOM 181 CB ARG A 124 3.115 3.516 -2.178 1.00 0.00 C ATOM 182 CG ARG A 124 2.409 3.454 -0.823 1.00 0.00 C ATOM 183 CD ARG A 124 1.596 2.161 -0.729 1.00 0.00 C ATOM 184 NE ARG A 124 0.246 2.588 -0.267 1.00 0.00 N ATOM 185 CZ ARG A 124 -0.616 1.697 0.140 1.00 0.00 C ATOM 186 NH1 ARG A 124 -0.256 0.783 0.998 1.00 0.00 N ATOM 187 NH2 ARG A 124 -1.841 1.721 -0.310 1.00 0.00 N ATOM 0 H ARG A 124 2.383 5.889 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 124 2.918 5.666 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.479 3.086 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.030 2.924 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.142 3.495 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.754 4.317 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.542 1.658 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.049 1.460 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.005 3.577 -0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 124 0.700 0.764 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.931 0.087 1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.124 2.436 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -2.515 1.025 0.008 1.00 0.00 H new ATOM 201 N ALA A 125 5.521 4.777 -1.273 1.00 0.00 N ATOM 202 CA ALA A 125 6.979 5.016 -1.062 1.00 0.00 C ATOM 203 C ALA A 125 7.461 4.339 0.225 1.00 0.00 C ATOM 204 O ALA A 125 6.719 4.178 1.173 1.00 0.00 O ATOM 205 CB ALA A 125 7.117 6.535 -0.950 1.00 0.00 C ATOM 0 H ALA A 125 5.055 4.246 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 125 7.580 4.605 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.164 6.795 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.761 7.001 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.524 6.893 -0.108 1.00 0.00 H new ATOM 211 N SER A 126 8.705 3.946 0.261 1.00 0.00 N ATOM 212 CA SER A 126 9.251 3.285 1.480 1.00 0.00 C ATOM 213 C SER A 126 10.717 3.680 1.670 1.00 0.00 C ATOM 214 O SER A 126 11.573 3.319 0.888 1.00 0.00 O ATOM 215 CB SER A 126 9.130 1.788 1.210 1.00 0.00 C ATOM 216 OG SER A 126 9.819 1.070 2.226 1.00 0.00 O ATOM 0 H SER A 126 9.370 4.055 -0.505 1.00 0.00 H new ATOM 0 HA SER A 126 8.718 3.575 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.081 1.494 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.548 1.548 0.232 1.00 0.00 H new ATOM 0 HG SER A 126 9.742 0.108 2.056 1.00 0.00 H new ATOM 222 N PHE A 127 11.009 4.427 2.696 1.00 0.00 N ATOM 223 CA PHE A 127 12.417 4.853 2.928 1.00 0.00 C ATOM 224 C PHE A 127 13.047 4.044 4.064 1.00 0.00 C ATOM 225 O PHE A 127 12.378 3.619 4.986 1.00 0.00 O ATOM 226 CB PHE A 127 12.319 6.329 3.316 1.00 0.00 C ATOM 227 CG PHE A 127 11.396 7.043 2.359 1.00 0.00 C ATOM 228 CD1 PHE A 127 11.905 7.607 1.184 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.029 7.140 2.646 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.049 8.270 0.296 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.172 7.801 1.759 1.00 0.00 C ATOM 232 CZ PHE A 127 9.682 8.367 0.583 1.00 0.00 C ATOM 0 H PHE A 127 10.334 4.761 3.384 1.00 0.00 H new ATOM 0 HA PHE A 127 13.042 4.696 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.946 6.423 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.308 6.788 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.959 7.531 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.636 6.704 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.443 8.706 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.118 7.875 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.021 8.878 -0.102 1.00 0.00 H new ATOM 242 N LYS A 128 14.334 3.838 4.005 1.00 0.00 N ATOM 243 CA LYS A 128 15.023 3.071 5.077 1.00 0.00 C ATOM 244 C LYS A 128 16.186 3.898 5.630 1.00 0.00 C ATOM 245 O LYS A 128 16.870 4.589 4.902 1.00 0.00 O ATOM 246 CB LYS A 128 15.525 1.791 4.394 1.00 0.00 C ATOM 247 CG LYS A 128 16.726 1.225 5.160 1.00 0.00 C ATOM 248 CD LYS A 128 16.558 -0.284 5.337 1.00 0.00 C ATOM 249 CE LYS A 128 16.266 -0.595 6.806 1.00 0.00 C ATOM 250 NZ LYS A 128 15.110 -1.533 6.778 1.00 0.00 N ATOM 0 H LYS A 128 14.940 4.171 3.255 1.00 0.00 H new ATOM 0 HA LYS A 128 14.370 2.838 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.725 1.051 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.809 2.006 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.648 1.437 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.810 1.708 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.744 -0.646 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.462 -0.802 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.130 -1.047 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.025 0.312 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.139 -2.145 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.223 -0.990 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.160 -2.120 5.921 1.00 0.00 H new ATOM 264 N CYS A 129 16.412 3.838 6.912 1.00 0.00 N ATOM 265 CA CYS A 129 17.525 4.626 7.505 1.00 0.00 C ATOM 266 C CYS A 129 18.819 3.804 7.502 1.00 0.00 C ATOM 267 O CYS A 129 18.820 2.646 7.874 1.00 0.00 O ATOM 268 CB CYS A 129 17.078 4.924 8.932 1.00 0.00 C ATOM 269 SG CYS A 129 18.314 5.951 9.743 1.00 0.00 S ATOM 0 H CYS A 129 15.874 3.278 7.573 1.00 0.00 H new ATOM 0 HA CYS A 129 17.732 5.538 6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.114 5.433 8.924 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.943 3.994 9.484 1.00 0.00 H new ATOM 274 N PRO A 130 19.878 4.432 7.069 1.00 0.00 N ATOM 275 CA PRO A 130 21.194 3.754 6.998 1.00 0.00 C ATOM 276 C PRO A 130 21.872 3.698 8.375 1.00 0.00 C ATOM 277 O PRO A 130 22.881 3.043 8.545 1.00 0.00 O ATOM 278 CB PRO A 130 21.994 4.635 6.044 1.00 0.00 C ATOM 279 CG PRO A 130 21.371 5.995 6.136 1.00 0.00 C ATOM 280 CD PRO A 130 19.945 5.820 6.601 1.00 0.00 C ATOM 0 HA PRO A 130 21.113 2.719 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.046 4.665 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.949 4.251 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.926 6.623 6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.398 6.494 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.699 6.520 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.239 6.000 5.791 1.00 0.00 H new ATOM 288 N VAL A 131 21.344 4.379 9.358 1.00 0.00 N ATOM 289 CA VAL A 131 21.990 4.348 10.702 1.00 0.00 C ATOM 290 C VAL A 131 21.245 3.399 11.646 1.00 0.00 C ATOM 291 O VAL A 131 21.731 2.336 11.978 1.00 0.00 O ATOM 292 CB VAL A 131 21.933 5.790 11.216 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.110 5.806 12.737 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.063 6.599 10.570 1.00 0.00 C ATOM 0 H VAL A 131 20.502 4.950 9.290 1.00 0.00 H new ATOM 0 HA VAL A 131 23.015 3.981 10.648 1.00 0.00 H new ATOM 0 HB VAL A 131 20.968 6.227 10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.069 6.834 13.097 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.313 5.226 13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.075 5.369 12.996 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.028 7.627 10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.024 6.155 10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.942 6.592 9.487 1.00 0.00 H new ATOM 304 N CYS A 132 20.076 3.771 12.090 1.00 0.00 N ATOM 305 CA CYS A 132 19.324 2.879 13.022 1.00 0.00 C ATOM 306 C CYS A 132 18.512 1.838 12.234 1.00 0.00 C ATOM 307 O CYS A 132 17.612 1.209 12.756 1.00 0.00 O ATOM 308 CB CYS A 132 18.425 3.808 13.846 1.00 0.00 C ATOM 309 SG CYS A 132 17.017 4.362 12.859 1.00 0.00 S ATOM 0 H CYS A 132 19.610 4.647 11.851 1.00 0.00 H new ATOM 0 HA CYS A 132 19.987 2.308 13.672 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.071 3.287 14.735 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.998 4.669 14.188 1.00 0.00 H new ATOM 314 N SER A 133 18.853 1.637 10.987 1.00 0.00 N ATOM 315 CA SER A 133 18.150 0.621 10.141 1.00 0.00 C ATOM 316 C SER A 133 16.627 0.723 10.263 1.00 0.00 C ATOM 317 O SER A 133 15.920 -0.243 10.054 1.00 0.00 O ATOM 318 CB SER A 133 18.633 -0.740 10.648 1.00 0.00 C ATOM 319 OG SER A 133 18.895 -0.666 12.045 1.00 0.00 O ATOM 0 H SER A 133 19.601 2.141 10.510 1.00 0.00 H new ATOM 0 HA SER A 133 18.376 0.777 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.879 -1.501 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.535 -1.038 10.114 1.00 0.00 H new ATOM 0 HG SER A 133 18.072 -0.424 12.520 1.00 0.00 H new ATOM 325 N SER A 134 16.110 1.875 10.571 1.00 0.00 N ATOM 326 CA SER A 134 14.631 2.007 10.668 1.00 0.00 C ATOM 327 C SER A 134 14.039 2.114 9.258 1.00 0.00 C ATOM 328 O SER A 134 14.703 1.832 8.281 1.00 0.00 O ATOM 329 CB SER A 134 14.394 3.293 11.453 1.00 0.00 C ATOM 330 OG SER A 134 14.514 3.024 12.843 1.00 0.00 O ATOM 0 H SER A 134 16.641 2.726 10.759 1.00 0.00 H new ATOM 0 HA SER A 134 14.162 1.152 11.156 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.116 4.053 11.154 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.403 3.690 11.232 1.00 0.00 H new ATOM 0 HG SER A 134 14.903 3.802 13.294 1.00 0.00 H new ATOM 336 N THR A 135 12.806 2.520 9.139 1.00 0.00 N ATOM 337 CA THR A 135 12.200 2.639 7.781 1.00 0.00 C ATOM 338 C THR A 135 10.986 3.567 7.810 1.00 0.00 C ATOM 339 O THR A 135 10.443 3.866 8.855 1.00 0.00 O ATOM 340 CB THR A 135 11.777 1.220 7.403 1.00 0.00 C ATOM 341 OG1 THR A 135 12.764 0.299 7.846 1.00 0.00 O ATOM 342 CG2 THR A 135 11.629 1.124 5.884 1.00 0.00 C ATOM 0 H THR A 135 12.195 2.773 9.915 1.00 0.00 H new ATOM 0 HA THR A 135 12.901 3.062 7.062 1.00 0.00 H new ATOM 0 HB THR A 135 10.824 0.983 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.471 -0.615 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.327 0.113 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.872 1.832 5.547 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.582 1.359 5.410 1.00 0.00 H new ATOM 350 N PHE A 136 10.557 4.023 6.666 1.00 0.00 N ATOM 351 CA PHE A 136 9.378 4.932 6.618 1.00 0.00 C ATOM 352 C PHE A 136 8.655 4.788 5.277 1.00 0.00 C ATOM 353 O PHE A 136 9.164 4.196 4.346 1.00 0.00 O ATOM 354 CB PHE A 136 9.956 6.341 6.763 1.00 0.00 C ATOM 355 CG PHE A 136 10.943 6.373 7.903 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.492 6.553 9.216 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.312 6.229 7.647 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.410 6.588 10.273 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.229 6.263 8.702 1.00 0.00 C ATOM 360 CZ PHE A 136 12.779 6.444 10.015 1.00 0.00 C ATOM 0 H PHE A 136 10.973 3.805 5.761 1.00 0.00 H new ATOM 0 HA PHE A 136 8.652 4.706 7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.446 6.640 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.154 7.056 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.436 6.665 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.660 6.092 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.063 6.726 11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.285 6.150 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.488 6.473 10.829 1.00 0.00 H new ATOM 370 N THR A 137 7.474 5.327 5.172 1.00 0.00 N ATOM 371 CA THR A 137 6.715 5.227 3.893 1.00 0.00 C ATOM 372 C THR A 137 6.238 6.615 3.459 1.00 0.00 C ATOM 373 O THR A 137 6.743 7.623 3.910 1.00 0.00 O ATOM 374 CB THR A 137 5.524 4.323 4.210 1.00 0.00 C ATOM 375 OG1 THR A 137 5.252 4.374 5.603 1.00 0.00 O ATOM 376 CG2 THR A 137 5.851 2.885 3.804 1.00 0.00 C ATOM 0 H THR A 137 6.999 5.834 5.918 1.00 0.00 H new ATOM 0 HA THR A 137 7.321 4.829 3.079 1.00 0.00 H new ATOM 0 HB THR A 137 4.650 4.664 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.598 3.682 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.001 2.241 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.060 2.847 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.725 2.541 4.357 1.00 0.00 H new ATOM 384 N ASP A 138 5.271 6.676 2.587 1.00 0.00 N ATOM 385 CA ASP A 138 4.768 8.002 2.129 1.00 0.00 C ATOM 386 C ASP A 138 4.243 8.808 3.320 1.00 0.00 C ATOM 387 O ASP A 138 4.578 9.963 3.494 1.00 0.00 O ATOM 388 CB ASP A 138 3.639 7.679 1.152 1.00 0.00 C ATOM 389 CG ASP A 138 2.690 6.658 1.782 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.145 5.569 2.092 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.525 6.982 1.944 1.00 0.00 O ATOM 0 H ASP A 138 4.808 5.868 2.172 1.00 0.00 H new ATOM 0 HA ASP A 138 5.548 8.604 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.094 8.588 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.050 7.283 0.223 1.00 0.00 H new ATOM 396 N LEU A 139 3.426 8.211 4.146 1.00 0.00 N ATOM 397 CA LEU A 139 2.893 8.952 5.326 1.00 0.00 C ATOM 398 C LEU A 139 4.052 9.546 6.131 1.00 0.00 C ATOM 399 O LEU A 139 3.902 10.534 6.821 1.00 0.00 O ATOM 400 CB LEU A 139 2.138 7.907 6.150 1.00 0.00 C ATOM 401 CG LEU A 139 3.137 6.990 6.858 1.00 0.00 C ATOM 402 CD1 LEU A 139 3.239 7.385 8.332 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.659 5.540 6.752 1.00 0.00 C ATOM 0 H LEU A 139 3.106 7.247 4.056 1.00 0.00 H new ATOM 0 HA LEU A 139 2.244 9.780 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.499 8.400 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.487 7.320 5.502 1.00 0.00 H new ATOM 0 HG LEU A 139 4.116 7.088 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.951 6.731 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.578 8.418 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.261 7.288 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.370 4.885 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.680 5.444 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.586 5.257 5.702 1.00 0.00 H new ATOM 415 N GLU A 140 5.212 8.954 6.036 1.00 0.00 N ATOM 416 CA GLU A 140 6.385 9.489 6.782 1.00 0.00 C ATOM 417 C GLU A 140 7.245 10.338 5.845 1.00 0.00 C ATOM 418 O GLU A 140 8.138 11.044 6.271 1.00 0.00 O ATOM 419 CB GLU A 140 7.157 8.256 7.256 1.00 0.00 C ATOM 420 CG GLU A 140 6.325 7.500 8.295 1.00 0.00 C ATOM 421 CD GLU A 140 7.168 7.258 9.548 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.526 8.229 10.194 1.00 0.00 O ATOM 423 OE2 GLU A 140 7.442 6.105 9.840 1.00 0.00 O ATOM 0 H GLU A 140 5.397 8.123 5.474 1.00 0.00 H new ATOM 0 HA GLU A 140 6.094 10.124 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.379 7.606 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.112 8.556 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.433 8.073 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.986 6.549 7.883 1.00 0.00 H new ATOM 430 N ALA A 141 6.978 10.276 4.568 1.00 0.00 N ATOM 431 CA ALA A 141 7.773 11.082 3.599 1.00 0.00 C ATOM 432 C ALA A 141 7.296 12.536 3.613 1.00 0.00 C ATOM 433 O ALA A 141 8.006 13.436 3.215 1.00 0.00 O ATOM 434 CB ALA A 141 7.506 10.441 2.235 1.00 0.00 C ATOM 0 H ALA A 141 6.243 9.702 4.155 1.00 0.00 H new ATOM 0 HA ALA A 141 8.836 11.092 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.058 10.980 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.830 9.400 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.439 10.486 2.015 1.00 0.00 H new ATOM 440 N ASN A 142 6.097 12.770 4.073 1.00 0.00 N ATOM 441 CA ASN A 142 5.577 14.167 4.116 1.00 0.00 C ATOM 442 C ASN A 142 5.958 14.826 5.445 1.00 0.00 C ATOM 443 O ASN A 142 5.821 16.020 5.620 1.00 0.00 O ATOM 444 CB ASN A 142 4.058 14.030 4.001 1.00 0.00 C ATOM 445 CG ASN A 142 3.697 13.521 2.605 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.515 14.299 1.690 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.586 12.236 2.401 1.00 0.00 N ATOM 0 H ASN A 142 5.456 12.056 4.420 1.00 0.00 H new ATOM 0 HA ASN A 142 5.989 14.788 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.686 13.341 4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.580 14.993 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.347 11.886 1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.739 11.583 3.169 1.00 0.00 H new ATOM 454 N GLN A 143 6.437 14.054 6.380 1.00 0.00 N ATOM 455 CA GLN A 143 6.830 14.632 7.696 1.00 0.00 C ATOM 456 C GLN A 143 8.347 14.533 7.882 1.00 0.00 C ATOM 457 O GLN A 143 8.959 15.364 8.523 1.00 0.00 O ATOM 458 CB GLN A 143 6.104 13.776 8.734 1.00 0.00 C ATOM 459 CG GLN A 143 6.767 12.400 8.814 1.00 0.00 C ATOM 460 CD GLN A 143 5.935 11.485 9.714 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.455 10.877 10.629 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.655 11.358 9.491 1.00 0.00 N ATOM 0 H GLN A 143 6.574 13.047 6.290 1.00 0.00 H new ATOM 0 HA GLN A 143 6.568 15.686 7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.134 14.263 9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.053 13.670 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.853 11.967 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.779 12.494 9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.218 11.868 8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.092 10.749 10.084 1.00 0.00 H new ATOM 471 N LEU A 144 8.957 13.523 7.324 1.00 0.00 N ATOM 472 CA LEU A 144 10.434 13.372 7.466 1.00 0.00 C ATOM 473 C LEU A 144 11.152 14.206 6.402 1.00 0.00 C ATOM 474 O LEU A 144 12.312 14.542 6.538 1.00 0.00 O ATOM 475 CB LEU A 144 10.702 11.883 7.251 1.00 0.00 C ATOM 476 CG LEU A 144 10.033 11.077 8.365 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.424 9.605 8.235 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.493 11.608 9.724 1.00 0.00 C ATOM 0 H LEU A 144 8.497 12.796 6.776 1.00 0.00 H new ATOM 0 HA LEU A 144 10.794 13.714 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.317 11.570 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.775 11.693 7.245 1.00 0.00 H new ATOM 0 HG LEU A 144 8.950 11.174 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.947 9.030 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.098 9.226 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.507 9.508 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.017 11.034 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.576 11.511 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.215 12.658 9.818 1.00 0.00 H new ATOM 490 N PHE A 145 10.469 14.543 5.341 1.00 0.00 N ATOM 491 CA PHE A 145 11.107 15.354 4.265 1.00 0.00 C ATOM 492 C PHE A 145 11.384 16.776 4.762 1.00 0.00 C ATOM 493 O PHE A 145 10.530 17.419 5.339 1.00 0.00 O ATOM 494 CB PHE A 145 10.082 15.372 3.130 1.00 0.00 C ATOM 495 CG PHE A 145 10.647 16.117 1.946 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.413 15.436 0.992 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.402 17.487 1.801 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.936 16.127 -0.108 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.926 18.179 0.701 1.00 0.00 C ATOM 500 CZ PHE A 145 11.692 17.498 -0.253 1.00 0.00 C ATOM 0 H PHE A 145 9.495 14.291 5.173 1.00 0.00 H new ATOM 0 HA PHE A 145 12.064 14.941 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.826 14.352 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.161 15.849 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.600 14.378 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.809 18.011 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.527 15.603 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.739 19.237 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.095 18.031 -1.102 1.00 0.00 H new ATOM 510 N ASP A 146 12.572 17.270 4.541 1.00 0.00 N ATOM 511 CA ASP A 146 12.903 18.650 5.000 1.00 0.00 C ATOM 512 C ASP A 146 13.314 19.519 3.807 1.00 0.00 C ATOM 513 O ASP A 146 13.965 19.051 2.893 1.00 0.00 O ATOM 514 CB ASP A 146 14.073 18.476 5.968 1.00 0.00 C ATOM 515 CG ASP A 146 13.582 18.670 7.404 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.222 19.785 7.742 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.574 17.698 8.142 1.00 0.00 O ATOM 0 H ASP A 146 13.327 16.778 4.063 1.00 0.00 H new ATOM 0 HA ASP A 146 12.054 19.143 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.509 17.484 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.857 19.198 5.740 1.00 0.00 H new ATOM 522 N PRO A 147 12.914 20.760 3.858 1.00 0.00 N ATOM 523 CA PRO A 147 13.239 21.712 2.767 1.00 0.00 C ATOM 524 C PRO A 147 14.710 22.136 2.840 1.00 0.00 C ATOM 525 O PRO A 147 15.175 22.930 2.045 1.00 0.00 O ATOM 526 CB PRO A 147 12.321 22.899 3.046 1.00 0.00 C ATOM 527 CG PRO A 147 12.031 22.833 4.512 1.00 0.00 C ATOM 528 CD PRO A 147 12.126 21.387 4.925 1.00 0.00 C ATOM 0 HA PRO A 147 13.096 21.287 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.803 23.840 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.404 22.834 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.743 23.440 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.038 23.229 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.613 21.281 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.139 20.932 5.012 1.00 0.00 H new ATOM 536 N MET A 148 15.445 21.619 3.786 1.00 0.00 N ATOM 537 CA MET A 148 16.882 22.002 3.905 1.00 0.00 C ATOM 538 C MET A 148 17.775 20.930 3.273 1.00 0.00 C ATOM 539 O MET A 148 18.963 21.121 3.101 1.00 0.00 O ATOM 540 CB MET A 148 17.145 22.098 5.408 1.00 0.00 C ATOM 541 CG MET A 148 17.058 20.705 6.035 1.00 0.00 C ATOM 542 SD MET A 148 18.536 20.400 7.033 1.00 0.00 S ATOM 543 CE MET A 148 17.858 19.052 8.034 1.00 0.00 C ATOM 0 H MET A 148 15.114 20.949 4.481 1.00 0.00 H new ATOM 0 HA MET A 148 17.100 22.938 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.130 22.528 5.588 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.417 22.763 5.873 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.165 20.629 6.655 1.00 0.00 H new ATOM 0 HG3 MET A 148 16.970 19.948 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.616 18.703 8.735 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.990 19.411 8.587 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.559 18.230 7.383 1.00 0.00 H new ATOM 553 N THR A 149 17.217 19.803 2.930 1.00 0.00 N ATOM 554 CA THR A 149 18.041 18.723 2.314 1.00 0.00 C ATOM 555 C THR A 149 17.291 18.068 1.148 1.00 0.00 C ATOM 556 O THR A 149 17.784 17.152 0.522 1.00 0.00 O ATOM 557 CB THR A 149 18.273 17.715 3.441 1.00 0.00 C ATOM 558 OG1 THR A 149 19.035 16.623 2.947 1.00 0.00 O ATOM 559 CG2 THR A 149 16.929 17.208 3.966 1.00 0.00 C ATOM 0 H THR A 149 16.228 19.582 3.049 1.00 0.00 H new ATOM 0 HA THR A 149 18.977 19.104 1.905 1.00 0.00 H new ATOM 0 HB THR A 149 18.815 18.199 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.433 15.949 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.099 16.490 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.347 18.047 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.381 16.725 3.157 1.00 0.00 H new ATOM 567 N GLY A 150 16.110 18.533 0.847 1.00 0.00 N ATOM 568 CA GLY A 150 15.342 17.933 -0.281 1.00 0.00 C ATOM 569 C GLY A 150 15.281 16.413 -0.110 1.00 0.00 C ATOM 570 O GLY A 150 15.067 15.683 -1.058 1.00 0.00 O ATOM 0 H GLY A 150 15.644 19.300 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.334 18.347 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.815 18.184 -1.230 1.00 0.00 H new ATOM 574 N THR A 151 15.464 15.930 1.089 1.00 0.00 N ATOM 575 CA THR A 151 15.413 14.455 1.315 1.00 0.00 C ATOM 576 C THR A 151 14.592 14.141 2.570 1.00 0.00 C ATOM 577 O THR A 151 14.015 15.019 3.181 1.00 0.00 O ATOM 578 CB THR A 151 16.869 14.023 1.505 1.00 0.00 C ATOM 579 OG1 THR A 151 17.676 15.169 1.739 1.00 0.00 O ATOM 580 CG2 THR A 151 17.356 13.302 0.247 1.00 0.00 C ATOM 0 H THR A 151 15.646 16.491 1.921 1.00 0.00 H new ATOM 0 HA THR A 151 14.941 13.930 0.484 1.00 0.00 H new ATOM 0 HB THR A 151 16.940 13.349 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.745 15.694 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.393 12.994 0.382 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.737 12.423 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 151 17.286 13.974 -0.608 1.00 0.00 H new ATOM 588 N PHE A 152 14.537 12.896 2.960 1.00 0.00 N ATOM 589 CA PHE A 152 13.755 12.528 4.175 1.00 0.00 C ATOM 590 C PHE A 152 14.700 12.255 5.346 1.00 0.00 C ATOM 591 O PHE A 152 15.654 11.511 5.225 1.00 0.00 O ATOM 592 CB PHE A 152 13.001 11.257 3.787 1.00 0.00 C ATOM 593 CG PHE A 152 12.182 11.517 2.547 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.993 12.249 2.634 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.612 11.023 1.309 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.233 12.490 1.483 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.852 11.264 0.158 1.00 0.00 C ATOM 598 CZ PHE A 152 10.662 11.998 0.245 1.00 0.00 C ATOM 0 H PHE A 152 15.000 12.118 2.490 1.00 0.00 H new ATOM 0 HA PHE A 152 13.079 13.323 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.705 10.444 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.353 10.942 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.661 12.628 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.529 10.457 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.315 13.056 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.183 10.884 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.076 12.184 -0.643 1.00 0.00 H new ATOM 608 N ARG A 153 14.449 12.849 6.480 1.00 0.00 N ATOM 609 CA ARG A 153 15.343 12.618 7.651 1.00 0.00 C ATOM 610 C ARG A 153 14.691 11.654 8.643 1.00 0.00 C ATOM 611 O ARG A 153 13.509 11.726 8.915 1.00 0.00 O ATOM 612 CB ARG A 153 15.530 13.991 8.297 1.00 0.00 C ATOM 613 CG ARG A 153 16.723 14.701 7.655 1.00 0.00 C ATOM 614 CD ARG A 153 17.695 15.156 8.747 1.00 0.00 C ATOM 615 NE ARG A 153 16.914 16.113 9.581 1.00 0.00 N ATOM 616 CZ ARG A 153 17.492 16.748 10.565 1.00 0.00 C ATOM 617 NH1 ARG A 153 18.763 16.571 10.806 1.00 0.00 N ATOM 618 NH2 ARG A 153 16.797 17.562 11.311 1.00 0.00 N ATOM 0 H ARG A 153 13.667 13.482 6.647 1.00 0.00 H new ATOM 0 HA ARG A 153 16.292 12.174 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.627 14.589 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.693 13.881 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.228 14.030 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.381 15.560 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 153 18.047 14.312 9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.576 15.633 8.318 1.00 0.00 H new ATOM 0 HE ARG A 153 15.926 16.272 9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.309 15.935 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.210 17.069 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 153 15.804 17.702 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.247 18.059 12.080 1.00 0.00 H new ATOM 632 N CYS A 154 15.464 10.761 9.195 1.00 0.00 N ATOM 633 CA CYS A 154 14.910 9.797 10.186 1.00 0.00 C ATOM 634 C CYS A 154 14.069 10.551 11.220 1.00 0.00 C ATOM 635 O CYS A 154 13.988 11.763 11.198 1.00 0.00 O ATOM 636 CB CYS A 154 16.150 9.185 10.835 1.00 0.00 C ATOM 637 SG CYS A 154 15.703 7.720 11.794 1.00 0.00 S ATOM 0 H CYS A 154 16.460 10.657 9.001 1.00 0.00 H new ATOM 0 HA CYS A 154 14.262 9.042 9.742 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.875 8.917 10.067 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.629 9.919 11.483 1.00 0.00 H new ATOM 642 N THR A 155 13.438 9.853 12.124 1.00 0.00 N ATOM 643 CA THR A 155 12.606 10.553 13.144 1.00 0.00 C ATOM 644 C THR A 155 13.131 10.274 14.555 1.00 0.00 C ATOM 645 O THR A 155 12.847 11.002 15.485 1.00 0.00 O ATOM 646 CB THR A 155 11.193 9.989 12.972 1.00 0.00 C ATOM 647 OG1 THR A 155 11.171 9.080 11.877 1.00 0.00 O ATOM 648 CG2 THR A 155 10.221 11.138 12.704 1.00 0.00 C ATOM 0 H THR A 155 13.462 8.836 12.201 1.00 0.00 H new ATOM 0 HA THR A 155 12.629 11.635 13.011 1.00 0.00 H new ATOM 0 HB THR A 155 10.897 9.464 13.880 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.595 8.237 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.213 10.741 12.581 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.237 11.832 13.544 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.518 11.662 11.795 1.00 0.00 H new ATOM 656 N PHE A 156 13.903 9.236 14.725 1.00 0.00 N ATOM 657 CA PHE A 156 14.447 8.932 16.083 1.00 0.00 C ATOM 658 C PHE A 156 15.953 9.176 16.102 1.00 0.00 C ATOM 659 O PHE A 156 16.494 9.710 17.049 1.00 0.00 O ATOM 660 CB PHE A 156 14.133 7.457 16.390 1.00 0.00 C ATOM 661 CG PHE A 156 13.559 6.747 15.184 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.393 6.386 14.122 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.192 6.453 15.132 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.861 5.734 13.007 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.658 5.800 14.016 1.00 0.00 C ATOM 666 CZ PHE A 156 12.493 5.441 12.952 1.00 0.00 C ATOM 0 H PHE A 156 14.181 8.587 13.988 1.00 0.00 H new ATOM 0 HA PHE A 156 13.994 9.576 16.837 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.043 6.950 16.712 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.426 7.400 17.217 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.448 6.611 14.163 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.549 6.730 15.954 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.506 5.456 12.186 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.603 5.573 13.976 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.082 4.938 12.089 1.00 0.00 H new ATOM 676 N CYS A 157 16.634 8.802 15.056 1.00 0.00 N ATOM 677 CA CYS A 157 18.104 9.030 15.010 1.00 0.00 C ATOM 678 C CYS A 157 18.425 10.065 13.914 1.00 0.00 C ATOM 679 O CYS A 157 19.545 10.200 13.465 1.00 0.00 O ATOM 680 CB CYS A 157 18.711 7.636 14.756 1.00 0.00 C ATOM 681 SG CYS A 157 19.241 7.428 13.038 1.00 0.00 S ATOM 0 H CYS A 157 16.237 8.349 14.233 1.00 0.00 H new ATOM 0 HA CYS A 157 18.522 9.448 15.926 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.563 7.486 15.419 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.976 6.870 15.004 1.00 0.00 H new ATOM 686 N HIS A 158 17.424 10.812 13.521 1.00 0.00 N ATOM 687 CA HIS A 158 17.588 11.884 12.488 1.00 0.00 C ATOM 688 C HIS A 158 18.661 11.557 11.438 1.00 0.00 C ATOM 689 O HIS A 158 19.270 12.448 10.880 1.00 0.00 O ATOM 690 CB HIS A 158 17.982 13.128 13.283 1.00 0.00 C ATOM 691 CG HIS A 158 16.745 13.750 13.870 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.169 14.896 13.340 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.954 13.391 14.933 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.081 15.180 14.079 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.904 14.296 15.064 1.00 0.00 N ATOM 0 H HIS A 158 16.474 10.722 13.882 1.00 0.00 H new ATOM 0 HA HIS A 158 16.668 12.008 11.916 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.681 12.862 14.076 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.491 13.842 12.636 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.121 12.536 15.571 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.429 16.022 13.897 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.160 14.286 15.762 1.00 0.00 H new ATOM 703 N THR A 159 18.887 10.310 11.134 1.00 0.00 N ATOM 704 CA THR A 159 19.903 9.991 10.088 1.00 0.00 C ATOM 705 C THR A 159 19.258 10.109 8.703 1.00 0.00 C ATOM 706 O THR A 159 18.080 9.859 8.535 1.00 0.00 O ATOM 707 CB THR A 159 20.329 8.548 10.366 1.00 0.00 C ATOM 708 OG1 THR A 159 21.242 8.528 11.454 1.00 0.00 O ATOM 709 CG2 THR A 159 21.001 7.954 9.122 1.00 0.00 C ATOM 0 H THR A 159 18.421 9.507 11.556 1.00 0.00 H new ATOM 0 HA THR A 159 20.757 10.668 10.110 1.00 0.00 H new ATOM 0 HB THR A 159 19.449 7.954 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.751 8.632 12.295 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.302 6.927 9.327 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.299 7.967 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.880 8.545 8.866 1.00 0.00 H new ATOM 717 N GLU A 160 20.014 10.490 7.711 1.00 0.00 N ATOM 718 CA GLU A 160 19.434 10.622 6.341 1.00 0.00 C ATOM 719 C GLU A 160 18.916 9.267 5.850 1.00 0.00 C ATOM 720 O GLU A 160 19.675 8.345 5.625 1.00 0.00 O ATOM 721 CB GLU A 160 20.593 11.102 5.466 1.00 0.00 C ATOM 722 CG GLU A 160 20.186 11.034 3.993 1.00 0.00 C ATOM 723 CD GLU A 160 20.577 12.337 3.295 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.716 12.748 3.446 1.00 0.00 O ATOM 725 OE2 GLU A 160 19.732 12.903 2.621 1.00 0.00 O ATOM 0 H GLU A 160 21.006 10.716 7.787 1.00 0.00 H new ATOM 0 HA GLU A 160 18.590 11.311 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.864 12.124 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.473 10.483 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.675 10.189 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.111 10.872 3.909 1.00 0.00 H new ATOM 732 N VAL A 161 17.627 9.140 5.679 1.00 0.00 N ATOM 733 CA VAL A 161 17.060 7.844 5.201 1.00 0.00 C ATOM 734 C VAL A 161 17.121 7.774 3.673 1.00 0.00 C ATOM 735 O VAL A 161 17.273 8.775 3.002 1.00 0.00 O ATOM 736 CB VAL A 161 15.607 7.842 5.680 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.563 8.096 7.188 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.832 8.945 4.958 1.00 0.00 C ATOM 0 H VAL A 161 16.942 9.877 5.849 1.00 0.00 H new ATOM 0 HA VAL A 161 17.614 6.986 5.582 1.00 0.00 H new ATOM 0 HB VAL A 161 15.156 6.874 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.527 8.094 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.116 7.312 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.015 9.063 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.797 8.945 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.286 9.912 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.861 8.766 3.883 1.00 0.00 H new ATOM 748 N GLU A 162 17.002 6.599 3.118 1.00 0.00 N ATOM 749 CA GLU A 162 17.051 6.467 1.634 1.00 0.00 C ATOM 750 C GLU A 162 15.940 5.534 1.146 1.00 0.00 C ATOM 751 O GLU A 162 15.500 4.652 1.858 1.00 0.00 O ATOM 752 CB GLU A 162 18.425 5.867 1.335 1.00 0.00 C ATOM 753 CG GLU A 162 19.461 6.988 1.221 1.00 0.00 C ATOM 754 CD GLU A 162 20.692 6.633 2.056 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.537 5.912 3.029 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.769 7.087 1.709 1.00 0.00 O ATOM 0 H GLU A 162 16.873 5.725 3.628 1.00 0.00 H new ATOM 0 HA GLU A 162 16.904 7.423 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.710 5.174 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.389 5.295 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.745 7.131 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.033 7.929 1.567 1.00 0.00 H new ATOM 763 N GLU A 163 15.481 5.719 -0.061 1.00 0.00 N ATOM 764 CA GLU A 163 14.398 4.841 -0.593 1.00 0.00 C ATOM 765 C GLU A 163 14.763 3.368 -0.386 1.00 0.00 C ATOM 766 O GLU A 163 15.889 2.963 -0.595 1.00 0.00 O ATOM 767 CB GLU A 163 14.317 5.173 -2.084 1.00 0.00 C ATOM 768 CG GLU A 163 13.082 6.036 -2.351 1.00 0.00 C ATOM 769 CD GLU A 163 12.087 5.253 -3.210 1.00 0.00 C ATOM 770 OE1 GLU A 163 11.306 4.506 -2.644 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.122 5.415 -4.418 1.00 0.00 O ATOM 0 H GLU A 163 15.809 6.441 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 163 13.446 5.004 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.217 5.701 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.265 4.255 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.616 6.325 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.371 6.956 -2.859 1.00 0.00 H new ATOM 778 N ASP A 164 13.820 2.564 0.024 1.00 0.00 N ATOM 779 CA ASP A 164 14.116 1.118 0.245 1.00 0.00 C ATOM 780 C ASP A 164 13.762 0.304 -1.004 1.00 0.00 C ATOM 781 O ASP A 164 12.613 0.001 -1.254 1.00 0.00 O ATOM 782 CB ASP A 164 13.227 0.708 1.420 1.00 0.00 C ATOM 783 CG ASP A 164 13.641 -0.682 1.912 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.677 -1.157 1.479 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.913 -1.246 2.712 1.00 0.00 O ATOM 0 H ASP A 164 12.858 2.845 0.216 1.00 0.00 H new ATOM 0 HA ASP A 164 15.172 0.941 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.317 1.433 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.181 0.700 1.113 1.00 0.00 H new ATOM 790 N GLU A 165 14.742 -0.050 -1.788 1.00 0.00 N ATOM 791 CA GLU A 165 14.462 -0.844 -3.020 1.00 0.00 C ATOM 792 C GLU A 165 14.607 -2.342 -2.730 1.00 0.00 C ATOM 793 O GLU A 165 14.700 -3.152 -3.630 1.00 0.00 O ATOM 794 CB GLU A 165 15.516 -0.393 -4.032 1.00 0.00 C ATOM 795 CG GLU A 165 15.014 0.847 -4.775 1.00 0.00 C ATOM 796 CD GLU A 165 16.201 1.582 -5.401 1.00 0.00 C ATOM 797 OE1 GLU A 165 17.260 1.577 -4.797 1.00 0.00 O ATOM 798 OE2 GLU A 165 16.030 2.135 -6.475 1.00 0.00 O ATOM 0 H GLU A 165 15.724 0.175 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 165 13.448 -0.687 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 165 16.453 -0.170 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.722 -1.196 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 165 14.303 0.557 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 165 14.486 1.507 -4.087 1.00 0.00 H new ATOM 805 N SER A 166 14.626 -2.714 -1.479 1.00 0.00 N ATOM 806 CA SER A 166 14.765 -4.159 -1.135 1.00 0.00 C ATOM 807 C SER A 166 13.902 -4.499 0.084 1.00 0.00 C ATOM 808 O SER A 166 14.369 -5.081 1.043 1.00 0.00 O ATOM 809 CB SER A 166 16.245 -4.348 -0.809 1.00 0.00 C ATOM 810 OG SER A 166 16.907 -4.902 -1.938 1.00 0.00 O ATOM 0 H SER A 166 14.552 -2.082 -0.682 1.00 0.00 H new ATOM 0 HA SER A 166 14.439 -4.809 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 166 16.695 -3.392 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 166 16.358 -5.006 0.053 1.00 0.00 H new ATOM 0 HG SER A 166 17.858 -5.023 -1.733 1.00 0.00 H new ATOM 816 N ALA A 167 12.648 -4.140 0.055 1.00 0.00 N ATOM 817 CA ALA A 167 11.759 -4.444 1.214 1.00 0.00 C ATOM 818 C ALA A 167 11.132 -5.832 1.057 1.00 0.00 C ATOM 819 O ALA A 167 10.037 -6.085 1.520 1.00 0.00 O ATOM 820 CB ALA A 167 10.680 -3.363 1.180 1.00 0.00 C ATOM 0 H ALA A 167 12.200 -3.650 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 167 12.304 -4.449 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 167 9.984 -3.518 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 167 11.145 -2.382 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.140 -3.417 0.235 1.00 0.00 H new ATOM 826 N MET A 168 11.816 -6.734 0.408 1.00 0.00 N ATOM 827 CA MET A 168 11.257 -8.104 0.225 1.00 0.00 C ATOM 828 C MET A 168 12.372 -9.148 0.326 1.00 0.00 C ATOM 829 O MET A 168 13.539 -8.812 0.347 1.00 0.00 O ATOM 830 CB MET A 168 10.647 -8.103 -1.177 1.00 0.00 C ATOM 831 CG MET A 168 9.147 -7.817 -1.082 1.00 0.00 C ATOM 832 SD MET A 168 8.795 -6.194 -1.802 1.00 0.00 S ATOM 833 CE MET A 168 7.470 -5.725 -0.664 1.00 0.00 C ATOM 0 H MET A 168 12.737 -6.582 -0.003 1.00 0.00 H new ATOM 0 HA MET A 168 10.519 -8.353 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 168 11.133 -7.349 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 168 10.814 -9.067 -1.658 1.00 0.00 H new ATOM 0 HG2 MET A 168 8.585 -8.589 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 168 8.826 -7.842 -0.040 1.00 0.00 H new ATOM 0 HE1 MET A 168 6.877 -4.924 -1.106 1.00 0.00 H new ATOM 0 HE2 MET A 168 6.831 -6.587 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 168 7.902 -5.381 0.276 1.00 0.00 H new ATOM 843 N PRO A 169 11.969 -10.387 0.385 1.00 0.00 N ATOM 844 CA PRO A 169 12.940 -11.503 0.485 1.00 0.00 C ATOM 845 C PRO A 169 13.636 -11.728 -0.861 1.00 0.00 C ATOM 846 O PRO A 169 13.650 -12.824 -1.388 1.00 0.00 O ATOM 847 CB PRO A 169 12.071 -12.700 0.859 1.00 0.00 C ATOM 848 CG PRO A 169 10.702 -12.363 0.359 1.00 0.00 C ATOM 849 CD PRO A 169 10.580 -10.860 0.364 1.00 0.00 C ATOM 0 HA PRO A 169 13.734 -11.319 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 169 12.443 -13.616 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 169 12.068 -12.863 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 169 10.552 -12.757 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 169 9.939 -12.813 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 169 10.050 -10.500 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 169 10.026 -10.508 1.234 1.00 0.00 H new ATOM 857 N LYS A 170 14.214 -10.700 -1.420 1.00 0.00 N ATOM 858 CA LYS A 170 14.910 -10.852 -2.730 1.00 0.00 C ATOM 859 C LYS A 170 14.079 -11.729 -3.672 1.00 0.00 C ATOM 860 O LYS A 170 12.899 -11.931 -3.466 1.00 0.00 O ATOM 861 CB LYS A 170 16.239 -11.533 -2.393 1.00 0.00 C ATOM 862 CG LYS A 170 17.399 -10.631 -2.824 1.00 0.00 C ATOM 863 CD LYS A 170 18.538 -10.743 -1.808 1.00 0.00 C ATOM 864 CE LYS A 170 19.688 -11.550 -2.417 1.00 0.00 C ATOM 865 NZ LYS A 170 20.470 -12.047 -1.252 1.00 0.00 N ATOM 0 H LYS A 170 14.234 -9.760 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 170 15.057 -9.897 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 170 16.297 -11.731 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 170 16.305 -12.496 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 170 17.751 -10.921 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 170 17.062 -9.597 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 170 18.886 -9.750 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 170 18.182 -11.227 -0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 170 19.314 -12.376 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 170 20.303 -10.930 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 21.276 -12.610 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 20.820 -11.239 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 19.861 -12.640 -0.653 1.00 0.00 H new ATOM 879 N LYS A 171 14.685 -12.251 -4.703 1.00 0.00 N ATOM 880 CA LYS A 171 13.928 -13.114 -5.654 1.00 0.00 C ATOM 881 C LYS A 171 14.645 -14.454 -5.833 1.00 0.00 C ATOM 882 O LYS A 171 15.820 -14.584 -5.552 1.00 0.00 O ATOM 883 CB LYS A 171 13.908 -12.336 -6.970 1.00 0.00 C ATOM 884 CG LYS A 171 12.784 -12.871 -7.861 1.00 0.00 C ATOM 885 CD LYS A 171 12.709 -12.039 -9.143 1.00 0.00 C ATOM 886 CE LYS A 171 11.244 -11.769 -9.491 1.00 0.00 C ATOM 887 NZ LYS A 171 10.989 -12.562 -10.726 1.00 0.00 N ATOM 0 H LYS A 171 15.671 -12.117 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 171 12.922 -13.336 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 171 13.758 -11.274 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 171 14.867 -12.434 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 171 12.966 -13.918 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 171 11.833 -12.827 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 171 13.242 -11.097 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 171 13.197 -12.568 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 171 10.583 -12.076 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 171 11.068 -10.707 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 10.003 -12.428 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 11.628 -12.243 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 11.158 -13.570 -10.533 1.00 0.00 H new ATOM 901 N ASP A 172 13.947 -15.452 -6.299 1.00 0.00 N ATOM 902 CA ASP A 172 14.589 -16.783 -6.494 1.00 0.00 C ATOM 903 C ASP A 172 14.751 -17.078 -7.988 1.00 0.00 C ATOM 904 O ASP A 172 14.404 -18.142 -8.461 1.00 0.00 O ATOM 905 CB ASP A 172 13.631 -17.784 -5.848 1.00 0.00 C ATOM 906 CG ASP A 172 14.430 -18.951 -5.264 1.00 0.00 C ATOM 907 OD1 ASP A 172 15.053 -19.662 -6.036 1.00 0.00 O ATOM 908 OD2 ASP A 172 14.404 -19.115 -4.056 1.00 0.00 O ATOM 0 H ASP A 172 12.960 -15.404 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 172 15.584 -16.831 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 172 13.053 -17.296 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 172 12.919 -18.151 -6.587 1.00 0.00 H new ATOM 913 N ALA A 173 15.274 -16.144 -8.734 1.00 0.00 N ATOM 914 CA ALA A 173 15.456 -16.374 -10.196 1.00 0.00 C ATOM 915 C ALA A 173 16.674 -17.269 -10.443 1.00 0.00 C ATOM 916 O ALA A 173 17.671 -16.843 -10.991 1.00 0.00 O ATOM 917 CB ALA A 173 15.685 -14.984 -10.791 1.00 0.00 C ATOM 0 H ALA A 173 15.583 -15.233 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 173 14.597 -16.874 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 173 15.828 -15.068 -11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 173 14.819 -14.354 -10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 173 16.572 -14.537 -10.341 1.00 0.00 H new ATOM 923 N ARG A 174 16.599 -18.510 -10.045 1.00 0.00 N ATOM 924 CA ARG A 174 17.752 -19.433 -10.257 1.00 0.00 C ATOM 925 C ARG A 174 19.028 -18.835 -9.660 1.00 0.00 C ATOM 926 O ARG A 174 18.924 -17.828 -8.978 1.00 0.00 O ATOM 927 CB ARG A 174 17.881 -19.559 -11.775 1.00 0.00 C ATOM 928 CG ARG A 174 18.057 -21.031 -12.153 1.00 0.00 C ATOM 929 CD ARG A 174 18.930 -21.136 -13.405 1.00 0.00 C ATOM 930 NE ARG A 174 18.114 -21.914 -14.377 1.00 0.00 N ATOM 931 CZ ARG A 174 18.674 -22.412 -15.446 1.00 0.00 C ATOM 932 NH1 ARG A 174 19.143 -21.617 -16.368 1.00 0.00 N ATOM 933 NH2 ARG A 174 18.765 -23.706 -15.590 1.00 0.00 N ATOM 934 OXT ARG A 174 20.087 -19.394 -9.894 1.00 0.00 O ATOM 0 H ARG A 174 15.790 -18.925 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 174 17.600 -20.400 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 174 16.994 -19.152 -12.261 1.00 0.00 H new ATOM 0 HB3 ARG A 174 18.733 -18.978 -12.127 1.00 0.00 H new ATOM 0 HG2 ARG A 174 18.517 -21.576 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 174 17.085 -21.489 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 174 19.178 -20.150 -13.798 1.00 0.00 H new ATOM 0 HD3 ARG A 174 19.872 -21.639 -13.188 1.00 0.00 H new ATOM 0 HE ARG A 174 17.118 -22.058 -14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 174 19.072 -20.606 -16.254 1.00 0.00 H new ATOM 0 HH12 ARG A 174 19.580 -22.007 -17.203 1.00 0.00 H new ATOM 0 HH21 ARG A 174 18.399 -24.326 -14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 174 19.202 -24.097 -16.425 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.565 6.366 11.873 1.00 0.00 ZN