USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=18 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 126 SER OG : rot -140:sc= 0.0312 USER MOD Set 1.2: A 168 MET CE :methyl -151:sc= -0.543 (180deg=-0.626) USER MOD Set 2.1: A 149 THR OG1 : rot -31:sc= 1.59 USER MOD Set 2.2: A 151 THR OG1 : rot 88:sc= 1.74 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -31:sc= 0.119 USER MOD Single : A 123 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.24) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 55:sc= -0.382! USER MOD Single : A 134 SER OG : rot 138:sc= 0.525! USER MOD Single : A 135 THR OG1 : rot -34:sc= -0.658! USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN :FLIP amide:sc= -1.42 F(o=-2.1!,f=-1.4) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.78 F(o=-3!,f=-1.8) USER MOD Single : A 148 MET CE :methyl -143:sc= -0.421 (180deg=-2.23!) USER MOD Single : A 155 THR OG1 : rot 94:sc= -0.441 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 80:sc= -0.902! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -139:sc= -0.192 (180deg=-1.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -4.717 12.983 14.341 1.00 0.00 N ATOM 2 CA ARG A 113 -6.016 13.311 13.686 1.00 0.00 C ATOM 3 C ARG A 113 -5.930 14.668 12.983 1.00 0.00 C ATOM 4 O ARG A 113 -6.185 15.699 13.571 1.00 0.00 O ATOM 5 CB ARG A 113 -7.034 13.367 14.826 1.00 0.00 C ATOM 6 CG ARG A 113 -7.584 11.965 15.091 1.00 0.00 C ATOM 7 CD ARG A 113 -8.982 12.072 15.704 1.00 0.00 C ATOM 8 NE ARG A 113 -9.792 12.803 14.690 1.00 0.00 N ATOM 9 CZ ARG A 113 -10.585 12.144 13.889 1.00 0.00 C ATOM 10 NH1 ARG A 113 -10.085 11.315 13.013 1.00 0.00 N ATOM 11 NH2 ARG A 113 -11.876 12.312 13.964 1.00 0.00 N ATOM 0 HA ARG A 113 -6.289 12.577 12.928 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -6.565 13.761 15.727 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.847 14.045 14.568 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.626 11.398 14.161 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.920 11.424 15.765 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.400 11.086 15.907 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.957 12.610 16.652 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.727 13.819 14.621 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.075 11.182 12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.704 10.800 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.267 12.959 14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.495 11.797 13.338 1.00 0.00 H new ATOM 27 N ILE A 114 -5.576 14.675 11.727 1.00 0.00 N ATOM 28 CA ILE A 114 -5.481 15.968 10.992 1.00 0.00 C ATOM 29 C ILE A 114 -6.341 15.916 9.727 1.00 0.00 C ATOM 30 O ILE A 114 -6.354 14.932 9.013 1.00 0.00 O ATOM 31 CB ILE A 114 -4.004 16.118 10.636 1.00 0.00 C ATOM 32 CG1 ILE A 114 -3.186 16.276 11.921 1.00 0.00 C ATOM 33 CG2 ILE A 114 -3.814 17.357 9.759 1.00 0.00 C ATOM 34 CD1 ILE A 114 -2.081 15.219 11.959 1.00 0.00 C ATOM 0 H ILE A 114 -5.349 13.845 11.180 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.839 16.809 11.585 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.668 15.234 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.750 17.274 11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.834 16.171 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -2.760 17.464 9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.399 17.249 8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.148 18.241 10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.500 15.333 12.874 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.527 14.225 11.934 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.427 15.345 11.096 1.00 0.00 H new ATOM 46 N GLU A 115 -7.060 16.967 9.445 1.00 0.00 N ATOM 47 CA GLU A 115 -7.922 16.977 8.228 1.00 0.00 C ATOM 48 C GLU A 115 -7.085 16.669 6.984 1.00 0.00 C ATOM 49 O GLU A 115 -5.929 17.033 6.896 1.00 0.00 O ATOM 50 CB GLU A 115 -8.489 18.396 8.157 1.00 0.00 C ATOM 51 CG GLU A 115 -7.348 19.392 7.945 1.00 0.00 C ATOM 52 CD GLU A 115 -7.299 20.369 9.121 1.00 0.00 C ATOM 53 OE1 GLU A 115 -8.264 21.094 9.304 1.00 0.00 O ATOM 54 OE2 GLU A 115 -6.298 20.378 9.818 1.00 0.00 O ATOM 0 H GLU A 115 -7.088 17.820 10.004 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.710 16.225 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.208 18.471 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.025 18.631 9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.399 18.862 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.495 19.936 7.012 1.00 0.00 H new ATOM 61 N THR A 116 -7.660 16.004 6.020 1.00 0.00 N ATOM 62 CA THR A 116 -6.897 15.676 4.783 1.00 0.00 C ATOM 63 C THR A 116 -7.278 16.642 3.658 1.00 0.00 C ATOM 64 O THR A 116 -8.402 16.661 3.198 1.00 0.00 O ATOM 65 CB THR A 116 -7.309 14.248 4.429 1.00 0.00 C ATOM 66 OG1 THR A 116 -7.144 13.412 5.567 1.00 0.00 O ATOM 67 CG2 THR A 116 -6.436 13.733 3.283 1.00 0.00 C ATOM 0 H THR A 116 -8.625 15.674 6.035 1.00 0.00 H new ATOM 0 HA THR A 116 -5.820 15.763 4.925 1.00 0.00 H new ATOM 0 HB THR A 116 -8.354 14.237 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.410 12.496 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.730 12.714 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.565 14.374 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.390 13.743 3.590 1.00 0.00 H new ATOM 75 N ASP A 117 -6.351 17.446 3.213 1.00 0.00 N ATOM 76 CA ASP A 117 -6.665 18.411 2.120 1.00 0.00 C ATOM 77 C ASP A 117 -6.172 17.869 0.776 1.00 0.00 C ATOM 78 O ASP A 117 -6.226 18.545 -0.233 1.00 0.00 O ATOM 79 CB ASP A 117 -5.914 19.690 2.491 1.00 0.00 C ATOM 80 CG ASP A 117 -6.111 19.989 3.978 1.00 0.00 C ATOM 81 OD1 ASP A 117 -7.252 20.141 4.385 1.00 0.00 O ATOM 82 OD2 ASP A 117 -5.120 20.061 4.686 1.00 0.00 O ATOM 0 H ASP A 117 -5.392 17.477 3.558 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.736 18.583 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.853 19.577 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.278 20.524 1.891 1.00 0.00 H new ATOM 87 N GLU A 118 -5.690 16.657 0.752 1.00 0.00 N ATOM 88 CA GLU A 118 -5.194 16.078 -0.529 1.00 0.00 C ATOM 89 C GLU A 118 -6.230 15.112 -1.112 1.00 0.00 C ATOM 90 O GLU A 118 -7.041 14.552 -0.401 1.00 0.00 O ATOM 91 CB GLU A 118 -3.914 15.329 -0.158 1.00 0.00 C ATOM 92 CG GLU A 118 -2.722 16.287 -0.227 1.00 0.00 C ATOM 93 CD GLU A 118 -1.968 16.264 1.104 1.00 0.00 C ATOM 94 OE1 GLU A 118 -1.394 15.235 1.419 1.00 0.00 O ATOM 95 OE2 GLU A 118 -1.976 17.277 1.784 1.00 0.00 O ATOM 0 H GLU A 118 -5.618 16.043 1.563 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.014 16.844 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.002 14.913 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.760 14.491 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.056 15.997 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.067 17.298 -0.444 1.00 0.00 H new ATOM 102 N ARG A 119 -6.207 14.911 -2.402 1.00 0.00 N ATOM 103 CA ARG A 119 -7.189 13.981 -3.030 1.00 0.00 C ATOM 104 C ARG A 119 -6.631 12.555 -3.043 1.00 0.00 C ATOM 105 O ARG A 119 -6.941 11.749 -2.189 1.00 0.00 O ATOM 106 CB ARG A 119 -7.371 14.500 -4.457 1.00 0.00 C ATOM 107 CG ARG A 119 -7.994 15.897 -4.415 1.00 0.00 C ATOM 108 CD ARG A 119 -8.471 16.286 -5.817 1.00 0.00 C ATOM 109 NE ARG A 119 -7.467 17.273 -6.306 1.00 0.00 N ATOM 110 CZ ARG A 119 -7.630 17.853 -7.464 1.00 0.00 C ATOM 111 NH1 ARG A 119 -7.784 17.131 -8.540 1.00 0.00 N ATOM 112 NH2 ARG A 119 -7.640 19.155 -7.545 1.00 0.00 N ATOM 0 H ARG A 119 -5.551 15.350 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 119 -8.133 13.948 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -6.409 14.534 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.009 13.822 -5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.831 15.913 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.264 16.621 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.521 15.416 -6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.470 16.721 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.652 17.496 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.777 16.113 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.911 17.585 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.520 19.719 -6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.767 19.609 -8.450 1.00 0.00 H new ATOM 126 N ASP A 120 -5.808 12.237 -4.005 1.00 0.00 N ATOM 127 CA ASP A 120 -5.231 10.863 -4.070 1.00 0.00 C ATOM 128 C ASP A 120 -3.760 10.931 -4.489 1.00 0.00 C ATOM 129 O ASP A 120 -3.223 10.000 -5.057 1.00 0.00 O ATOM 130 CB ASP A 120 -6.059 10.135 -5.129 1.00 0.00 C ATOM 131 CG ASP A 120 -5.910 10.847 -6.473 1.00 0.00 C ATOM 132 OD1 ASP A 120 -5.928 12.068 -6.478 1.00 0.00 O ATOM 133 OD2 ASP A 120 -5.781 10.163 -7.474 1.00 0.00 O ATOM 0 H ASP A 120 -5.510 12.869 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 120 -5.265 10.353 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -5.729 9.100 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.108 10.111 -4.833 1.00 0.00 H new ATOM 138 N SER A 121 -3.106 12.026 -4.216 1.00 0.00 N ATOM 139 CA SER A 121 -1.671 12.153 -4.599 1.00 0.00 C ATOM 140 C SER A 121 -0.776 11.973 -3.369 1.00 0.00 C ATOM 141 O SER A 121 -0.025 12.854 -3.001 1.00 0.00 O ATOM 142 CB SER A 121 -1.537 13.569 -5.157 1.00 0.00 C ATOM 143 OG SER A 121 -0.334 13.668 -5.906 1.00 0.00 O ATOM 0 H SER A 121 -3.503 12.839 -3.744 1.00 0.00 H new ATOM 0 HA SER A 121 -1.368 11.398 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.393 13.805 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.532 14.294 -4.343 1.00 0.00 H new ATOM 0 HG SER A 121 -0.247 14.575 -6.266 1.00 0.00 H new ATOM 149 N THR A 122 -0.852 10.837 -2.731 1.00 0.00 N ATOM 150 CA THR A 122 -0.006 10.601 -1.525 1.00 0.00 C ATOM 151 C THR A 122 1.218 9.758 -1.894 1.00 0.00 C ATOM 152 O THR A 122 2.032 9.428 -1.054 1.00 0.00 O ATOM 153 CB THR A 122 -0.907 9.841 -0.550 1.00 0.00 C ATOM 154 OG1 THR A 122 -0.290 9.805 0.729 1.00 0.00 O ATOM 155 CG2 THR A 122 -1.123 8.415 -1.057 1.00 0.00 C ATOM 0 H THR A 122 -1.462 10.062 -2.992 1.00 0.00 H new ATOM 0 HA THR A 122 0.367 11.530 -1.094 1.00 0.00 H new ATOM 0 HB THR A 122 -1.871 10.345 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.684 9.799 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.765 7.875 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.596 8.446 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.162 7.906 -1.133 1.00 0.00 H new ATOM 163 N ASN A 123 1.353 9.406 -3.143 1.00 0.00 N ATOM 164 CA ASN A 123 2.524 8.584 -3.564 1.00 0.00 C ATOM 165 C ASN A 123 2.612 7.316 -2.707 1.00 0.00 C ATOM 166 O ASN A 123 1.754 7.050 -1.888 1.00 0.00 O ATOM 167 CB ASN A 123 3.741 9.480 -3.328 1.00 0.00 C ATOM 168 CG ASN A 123 3.508 10.841 -3.986 1.00 0.00 C ATOM 169 OD1 ASN A 123 2.982 10.919 -5.078 1.00 0.00 O ATOM 170 ND2 ASN A 123 3.883 11.925 -3.363 1.00 0.00 N ATOM 0 H ASN A 123 0.704 9.652 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 123 2.453 8.261 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.912 9.606 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.635 9.013 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.734 12.838 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.325 11.859 -2.446 1.00 0.00 H new ATOM 177 N ARG A 124 3.637 6.530 -2.891 1.00 0.00 N ATOM 178 CA ARG A 124 3.769 5.281 -2.086 1.00 0.00 C ATOM 179 C ARG A 124 5.200 4.740 -2.171 1.00 0.00 C ATOM 180 O ARG A 124 5.543 4.010 -3.080 1.00 0.00 O ATOM 181 CB ARG A 124 2.784 4.299 -2.721 1.00 0.00 C ATOM 182 CG ARG A 124 2.302 3.302 -1.665 1.00 0.00 C ATOM 183 CD ARG A 124 2.490 1.876 -2.187 1.00 0.00 C ATOM 184 NE ARG A 124 1.124 1.426 -2.576 1.00 0.00 N ATOM 185 CZ ARG A 124 0.934 0.204 -2.991 1.00 0.00 C ATOM 186 NH1 ARG A 124 0.997 -0.789 -2.146 1.00 0.00 N ATOM 187 NH2 ARG A 124 0.681 -0.026 -4.250 1.00 0.00 N ATOM 0 H ARG A 124 4.387 6.697 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 124 3.559 5.446 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.935 4.839 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 124 3.263 3.769 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.860 3.438 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.252 3.480 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.171 1.854 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.916 1.228 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 124 0.338 2.073 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.195 -0.609 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.848 -1.745 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.632 0.750 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.533 -0.982 -4.574 1.00 0.00 H new ATOM 201 N ALA A 125 6.035 5.091 -1.232 1.00 0.00 N ATOM 202 CA ALA A 125 7.441 4.592 -1.262 1.00 0.00 C ATOM 203 C ALA A 125 7.954 4.370 0.160 1.00 0.00 C ATOM 204 O ALA A 125 7.528 5.021 1.093 1.00 0.00 O ATOM 205 CB ALA A 125 8.240 5.692 -1.960 1.00 0.00 C ATOM 0 H ALA A 125 5.806 5.700 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 125 7.529 3.637 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.288 5.398 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.847 5.845 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.156 6.619 -1.393 1.00 0.00 H new ATOM 211 N SER A 126 8.865 3.451 0.332 1.00 0.00 N ATOM 212 CA SER A 126 9.400 3.183 1.696 1.00 0.00 C ATOM 213 C SER A 126 10.854 3.651 1.805 1.00 0.00 C ATOM 214 O SER A 126 11.696 3.289 1.008 1.00 0.00 O ATOM 215 CB SER A 126 9.314 1.666 1.871 1.00 0.00 C ATOM 216 OG SER A 126 8.966 1.062 0.632 1.00 0.00 O ATOM 0 H SER A 126 9.261 2.876 -0.412 1.00 0.00 H new ATOM 0 HA SER A 126 8.838 3.715 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.269 1.276 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.571 1.419 2.629 1.00 0.00 H new ATOM 0 HG SER A 126 8.331 0.332 0.791 1.00 0.00 H new ATOM 222 N PHE A 127 11.155 4.449 2.793 1.00 0.00 N ATOM 223 CA PHE A 127 12.554 4.934 2.964 1.00 0.00 C ATOM 224 C PHE A 127 13.202 4.233 4.157 1.00 0.00 C ATOM 225 O PHE A 127 12.575 4.008 5.174 1.00 0.00 O ATOM 226 CB PHE A 127 12.429 6.435 3.224 1.00 0.00 C ATOM 227 CG PHE A 127 11.536 7.051 2.177 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.086 7.534 0.984 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.157 7.139 2.399 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.257 8.104 0.011 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.328 7.709 1.427 1.00 0.00 C ATOM 232 CZ PHE A 127 9.877 8.192 0.233 1.00 0.00 C ATOM 0 H PHE A 127 10.491 4.786 3.490 1.00 0.00 H new ATOM 0 HA PHE A 127 13.175 4.728 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.017 6.610 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.413 6.903 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.150 7.467 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.733 6.767 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.681 8.476 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.264 7.777 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.236 8.632 -0.517 1.00 0.00 H new ATOM 242 N LYS A 128 14.452 3.879 4.043 1.00 0.00 N ATOM 243 CA LYS A 128 15.131 3.187 5.171 1.00 0.00 C ATOM 244 C LYS A 128 16.321 4.011 5.669 1.00 0.00 C ATOM 245 O LYS A 128 17.039 4.618 4.900 1.00 0.00 O ATOM 246 CB LYS A 128 15.597 1.849 4.592 1.00 0.00 C ATOM 247 CG LYS A 128 16.647 1.225 5.515 1.00 0.00 C ATOM 248 CD LYS A 128 16.189 -0.172 5.941 1.00 0.00 C ATOM 249 CE LYS A 128 16.816 -0.524 7.293 1.00 0.00 C ATOM 250 NZ LYS A 128 18.072 -1.255 6.959 1.00 0.00 N ATOM 0 H LYS A 128 15.031 4.039 3.219 1.00 0.00 H new ATOM 0 HA LYS A 128 14.471 3.050 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.748 1.174 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.016 1.999 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.607 1.164 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.794 1.854 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.102 -0.204 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.481 -0.907 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.025 0.373 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.146 -1.143 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.558 -1.529 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.842 -2.108 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.693 -0.639 6.397 1.00 0.00 H new ATOM 264 N CYS A 129 16.525 4.034 6.957 1.00 0.00 N ATOM 265 CA CYS A 129 17.658 4.814 7.527 1.00 0.00 C ATOM 266 C CYS A 129 18.929 3.955 7.561 1.00 0.00 C ATOM 267 O CYS A 129 18.900 2.822 7.998 1.00 0.00 O ATOM 268 CB CYS A 129 17.204 5.164 8.941 1.00 0.00 C ATOM 269 SG CYS A 129 18.459 6.171 9.752 1.00 0.00 S ATOM 0 H CYS A 129 15.952 3.543 7.643 1.00 0.00 H new ATOM 0 HA CYS A 129 17.897 5.701 6.940 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.258 5.704 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 129 17.030 4.253 9.513 1.00 0.00 H new ATOM 274 N PRO A 130 20.003 4.525 7.086 1.00 0.00 N ATOM 275 CA PRO A 130 21.299 3.802 7.048 1.00 0.00 C ATOM 276 C PRO A 130 21.955 3.743 8.434 1.00 0.00 C ATOM 277 O PRO A 130 22.813 2.919 8.683 1.00 0.00 O ATOM 278 CB PRO A 130 22.144 4.639 6.093 1.00 0.00 C ATOM 279 CG PRO A 130 21.562 6.017 6.154 1.00 0.00 C ATOM 280 CD PRO A 130 20.110 5.882 6.541 1.00 0.00 C ATOM 0 HA PRO A 130 21.186 2.765 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.192 4.641 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.104 4.240 5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.097 6.627 6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.656 6.516 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.824 6.631 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.455 6.017 5.680 1.00 0.00 H new ATOM 288 N VAL A 131 21.581 4.612 9.335 1.00 0.00 N ATOM 289 CA VAL A 131 22.216 4.591 10.686 1.00 0.00 C ATOM 290 C VAL A 131 21.483 3.629 11.625 1.00 0.00 C ATOM 291 O VAL A 131 21.983 2.571 11.952 1.00 0.00 O ATOM 292 CB VAL A 131 22.128 6.030 11.198 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.348 6.055 12.713 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.211 6.869 10.517 1.00 0.00 C ATOM 0 H VAL A 131 20.870 5.330 9.197 1.00 0.00 H new ATOM 0 HA VAL A 131 23.247 4.241 10.640 1.00 0.00 H new ATOM 0 HB VAL A 131 21.143 6.437 10.971 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.284 7.082 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.583 5.451 13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.333 5.650 12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.155 7.896 10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.192 6.456 10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.058 6.853 9.438 1.00 0.00 H new ATOM 304 N CYS A 132 20.311 3.981 12.071 1.00 0.00 N ATOM 305 CA CYS A 132 19.577 3.068 12.998 1.00 0.00 C ATOM 306 C CYS A 132 18.774 2.028 12.202 1.00 0.00 C ATOM 307 O CYS A 132 17.916 1.349 12.731 1.00 0.00 O ATOM 308 CB CYS A 132 18.674 3.976 13.840 1.00 0.00 C ATOM 309 SG CYS A 132 17.248 4.515 12.871 1.00 0.00 S ATOM 0 H CYS A 132 19.831 4.851 11.839 1.00 0.00 H new ATOM 0 HA CYS A 132 20.250 2.497 13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.337 3.442 14.729 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.238 4.843 14.183 1.00 0.00 H new ATOM 314 N SER A 133 19.080 1.884 10.938 1.00 0.00 N ATOM 315 CA SER A 133 18.385 0.871 10.078 1.00 0.00 C ATOM 316 C SER A 133 16.862 0.934 10.226 1.00 0.00 C ATOM 317 O SER A 133 16.175 -0.048 10.029 1.00 0.00 O ATOM 318 CB SER A 133 18.910 -0.491 10.543 1.00 0.00 C ATOM 319 OG SER A 133 19.162 -0.460 11.942 1.00 0.00 O ATOM 0 H SER A 133 19.792 2.432 10.456 1.00 0.00 H new ATOM 0 HA SER A 133 18.589 1.058 9.024 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.182 -1.269 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.825 -0.741 10.005 1.00 0.00 H new ATOM 0 HG SER A 133 18.353 -0.170 12.414 1.00 0.00 H new ATOM 325 N SER A 134 16.321 2.073 10.546 1.00 0.00 N ATOM 326 CA SER A 134 14.839 2.171 10.671 1.00 0.00 C ATOM 327 C SER A 134 14.217 2.266 9.273 1.00 0.00 C ATOM 328 O SER A 134 14.887 2.078 8.277 1.00 0.00 O ATOM 329 CB SER A 134 14.589 3.451 11.460 1.00 0.00 C ATOM 330 OG SER A 134 14.619 3.160 12.854 1.00 0.00 O ATOM 0 H SER A 134 16.834 2.936 10.726 1.00 0.00 H new ATOM 0 HA SER A 134 14.399 1.305 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.347 4.196 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.624 3.877 11.187 1.00 0.00 H new ATOM 0 HG SER A 134 15.109 3.866 13.325 1.00 0.00 H new ATOM 336 N THR A 135 12.946 2.558 9.183 1.00 0.00 N ATOM 337 CA THR A 135 12.312 2.659 7.836 1.00 0.00 C ATOM 338 C THR A 135 11.036 3.504 7.890 1.00 0.00 C ATOM 339 O THR A 135 10.492 3.764 8.945 1.00 0.00 O ATOM 340 CB THR A 135 11.980 1.221 7.439 1.00 0.00 C ATOM 341 OG1 THR A 135 13.057 0.369 7.804 1.00 0.00 O ATOM 342 CG2 THR A 135 11.760 1.150 5.928 1.00 0.00 C ATOM 0 H THR A 135 12.326 2.729 9.974 1.00 0.00 H new ATOM 0 HA THR A 135 12.974 3.143 7.118 1.00 0.00 H new ATOM 0 HB THR A 135 11.074 0.900 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 135 13.904 0.852 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.523 0.125 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.934 1.804 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.666 1.470 5.413 1.00 0.00 H new ATOM 350 N PHE A 136 10.561 3.934 6.751 1.00 0.00 N ATOM 351 CA PHE A 136 9.322 4.763 6.714 1.00 0.00 C ATOM 352 C PHE A 136 8.618 4.591 5.364 1.00 0.00 C ATOM 353 O PHE A 136 9.112 3.921 4.481 1.00 0.00 O ATOM 354 CB PHE A 136 9.805 6.205 6.888 1.00 0.00 C ATOM 355 CG PHE A 136 10.753 6.281 8.061 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.251 6.485 9.352 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.132 6.144 7.860 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.127 6.554 10.441 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.008 6.214 8.950 1.00 0.00 C ATOM 360 CZ PHE A 136 12.505 6.418 10.240 1.00 0.00 C ATOM 0 H PHE A 136 10.981 3.745 5.841 1.00 0.00 H new ATOM 0 HA PHE A 136 8.608 4.478 7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.305 6.544 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.955 6.867 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.187 6.589 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.520 5.984 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.739 6.712 11.437 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.072 6.111 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.181 6.470 11.081 1.00 0.00 H new ATOM 370 N THR A 137 7.470 5.191 5.199 1.00 0.00 N ATOM 371 CA THR A 137 6.735 5.062 3.904 1.00 0.00 C ATOM 372 C THR A 137 6.225 6.429 3.446 1.00 0.00 C ATOM 373 O THR A 137 6.666 7.459 3.917 1.00 0.00 O ATOM 374 CB THR A 137 5.562 4.130 4.206 1.00 0.00 C ATOM 375 OG1 THR A 137 5.036 4.433 5.491 1.00 0.00 O ATOM 376 CG2 THR A 137 6.040 2.678 4.176 1.00 0.00 C ATOM 0 H THR A 137 7.008 5.765 5.904 1.00 0.00 H new ATOM 0 HA THR A 137 7.370 4.676 3.107 1.00 0.00 H new ATOM 0 HB THR A 137 4.785 4.269 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.283 3.837 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.202 2.015 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.441 2.447 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.818 2.535 4.926 1.00 0.00 H new ATOM 384 N ASP A 138 5.302 6.447 2.525 1.00 0.00 N ATOM 385 CA ASP A 138 4.766 7.747 2.031 1.00 0.00 C ATOM 386 C ASP A 138 4.184 8.560 3.191 1.00 0.00 C ATOM 387 O ASP A 138 4.511 9.715 3.374 1.00 0.00 O ATOM 388 CB ASP A 138 3.674 7.372 1.031 1.00 0.00 C ATOM 389 CG ASP A 138 2.780 6.285 1.630 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.266 5.182 1.819 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.623 6.573 1.889 1.00 0.00 O ATOM 0 H ASP A 138 4.895 5.618 2.093 1.00 0.00 H new ATOM 0 HA ASP A 138 5.540 8.364 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.078 8.250 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.123 7.017 0.103 1.00 0.00 H new ATOM 396 N LEU A 139 3.328 7.968 3.980 1.00 0.00 N ATOM 397 CA LEU A 139 2.740 8.721 5.125 1.00 0.00 C ATOM 398 C LEU A 139 3.863 9.323 5.968 1.00 0.00 C ATOM 399 O LEU A 139 3.684 10.312 6.652 1.00 0.00 O ATOM 400 CB LEU A 139 1.956 7.684 5.932 1.00 0.00 C ATOM 401 CG LEU A 139 0.629 7.382 5.235 1.00 0.00 C ATOM 402 CD1 LEU A 139 -0.241 6.519 6.149 1.00 0.00 C ATOM 403 CD2 LEU A 139 -0.101 8.693 4.931 1.00 0.00 C ATOM 0 H LEU A 139 3.012 7.003 3.883 1.00 0.00 H new ATOM 0 HA LEU A 139 2.099 9.541 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.541 6.770 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.772 8.057 6.939 1.00 0.00 H new ATOM 0 HG LEU A 139 0.823 6.849 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.187 6.303 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.276 5.584 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.433 7.053 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.047 8.476 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.294 9.226 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.517 9.311 4.280 1.00 0.00 H new ATOM 415 N GLU A 140 5.026 8.735 5.914 1.00 0.00 N ATOM 416 CA GLU A 140 6.174 9.267 6.699 1.00 0.00 C ATOM 417 C GLU A 140 7.056 10.134 5.797 1.00 0.00 C ATOM 418 O GLU A 140 7.833 10.945 6.260 1.00 0.00 O ATOM 419 CB GLU A 140 6.936 8.029 7.167 1.00 0.00 C ATOM 420 CG GLU A 140 5.965 7.056 7.838 1.00 0.00 C ATOM 421 CD GLU A 140 5.232 7.767 8.977 1.00 0.00 C ATOM 422 OE1 GLU A 140 4.379 8.589 8.685 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.535 7.477 10.123 1.00 0.00 O ATOM 0 H GLU A 140 5.231 7.905 5.357 1.00 0.00 H new ATOM 0 HA GLU A 140 5.859 9.889 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.423 7.547 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.722 8.315 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.247 6.681 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.508 6.193 8.224 1.00 0.00 H new ATOM 430 N ALA A 141 6.936 9.967 4.507 1.00 0.00 N ATOM 431 CA ALA A 141 7.760 10.780 3.570 1.00 0.00 C ATOM 432 C ALA A 141 7.291 12.236 3.592 1.00 0.00 C ATOM 433 O ALA A 141 8.086 13.154 3.589 1.00 0.00 O ATOM 434 CB ALA A 141 7.522 10.158 2.194 1.00 0.00 C ATOM 0 H ALA A 141 6.303 9.302 4.063 1.00 0.00 H new ATOM 0 HA ALA A 141 8.817 10.781 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.096 10.702 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.838 9.115 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.461 10.213 1.948 1.00 0.00 H new ATOM 440 N ASN A 142 6.005 12.455 3.618 1.00 0.00 N ATOM 441 CA ASN A 142 5.489 13.853 3.644 1.00 0.00 C ATOM 442 C ASN A 142 5.662 14.455 5.043 1.00 0.00 C ATOM 443 O ASN A 142 5.393 15.618 5.266 1.00 0.00 O ATOM 444 CB ASN A 142 4.007 13.739 3.289 1.00 0.00 C ATOM 445 CG ASN A 142 3.265 13.017 4.415 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.049 13.639 5.541 1.00 0.00 O flip ATOM 447 ND2 ASN A 142 2.877 11.874 4.269 1.00 0.00 N flip ATOM 0 H ASN A 142 5.290 11.728 3.622 1.00 0.00 H new ATOM 0 HA ASN A 142 6.024 14.502 2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.582 14.731 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.888 13.194 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.045 11.387 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.383 11.402 5.027 1.00 0.00 H new ATOM 454 N GLN A 143 6.113 13.671 5.986 1.00 0.00 N ATOM 455 CA GLN A 143 6.302 14.203 7.366 1.00 0.00 C ATOM 456 C GLN A 143 7.792 14.192 7.737 1.00 0.00 C ATOM 457 O GLN A 143 8.249 14.985 8.536 1.00 0.00 O ATOM 458 CB GLN A 143 5.485 13.266 8.271 1.00 0.00 C ATOM 459 CG GLN A 143 6.340 12.078 8.727 1.00 0.00 C ATOM 460 CD GLN A 143 5.543 11.226 9.718 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.298 10.937 9.455 1.00 0.00 O flip ATOM 462 NE2 GLN A 143 6.059 10.819 10.739 1.00 0.00 N flip ATOM 0 H GLN A 143 6.358 12.689 5.861 1.00 0.00 H new ATOM 0 HA GLN A 143 5.970 15.236 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.123 13.815 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.608 12.905 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.633 11.476 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.258 12.435 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.032 11.045 10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.519 10.251 11.392 1.00 0.00 H new ATOM 471 N LEU A 144 8.550 13.299 7.161 1.00 0.00 N ATOM 472 CA LEU A 144 10.006 13.237 7.477 1.00 0.00 C ATOM 473 C LEU A 144 10.811 14.023 6.437 1.00 0.00 C ATOM 474 O LEU A 144 12.024 14.072 6.488 1.00 0.00 O ATOM 475 CB LEU A 144 10.363 11.751 7.407 1.00 0.00 C ATOM 476 CG LEU A 144 9.533 10.976 8.431 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.814 9.479 8.290 1.00 0.00 C ATOM 478 CD2 LEU A 144 9.907 11.434 9.841 1.00 0.00 C ATOM 0 H LEU A 144 8.224 12.609 6.484 1.00 0.00 H new ATOM 0 HA LEU A 144 10.232 13.670 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.173 11.368 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.426 11.612 7.605 1.00 0.00 H new ATOM 0 HG LEU A 144 8.474 11.164 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.222 8.927 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.547 9.152 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.873 9.290 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.316 10.882 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.967 11.247 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.706 12.500 9.943 1.00 0.00 H new ATOM 490 N PHE A 145 10.149 14.633 5.493 1.00 0.00 N ATOM 491 CA PHE A 145 10.884 15.405 4.450 1.00 0.00 C ATOM 492 C PHE A 145 11.444 16.704 5.036 1.00 0.00 C ATOM 493 O PHE A 145 10.905 17.260 5.971 1.00 0.00 O ATOM 494 CB PHE A 145 9.842 15.711 3.374 1.00 0.00 C ATOM 495 CG PHE A 145 10.540 16.215 2.135 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.531 15.438 1.525 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.198 17.462 1.598 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.180 15.906 0.377 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.846 17.930 0.449 1.00 0.00 C ATOM 500 CZ PHE A 145 11.838 17.152 -0.161 1.00 0.00 C ATOM 0 H PHE A 145 9.133 14.631 5.398 1.00 0.00 H new ATOM 0 HA PHE A 145 11.733 14.848 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.267 14.814 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.136 16.458 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.795 14.477 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.435 18.063 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.945 15.306 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.581 18.891 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.339 17.514 -1.047 1.00 0.00 H new ATOM 510 N ASP A 146 12.525 17.189 4.486 1.00 0.00 N ATOM 511 CA ASP A 146 13.127 18.453 5.002 1.00 0.00 C ATOM 512 C ASP A 146 13.702 19.268 3.839 1.00 0.00 C ATOM 513 O ASP A 146 14.302 18.721 2.936 1.00 0.00 O ATOM 514 CB ASP A 146 14.241 18.005 5.947 1.00 0.00 C ATOM 515 CG ASP A 146 13.772 18.160 7.395 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.210 19.196 7.707 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.983 17.239 8.168 1.00 0.00 O ATOM 0 H ASP A 146 13.018 16.764 3.701 1.00 0.00 H new ATOM 0 HA ASP A 146 12.398 19.086 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.506 16.967 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.138 18.601 5.778 1.00 0.00 H new ATOM 522 N PRO A 147 13.493 20.554 3.903 1.00 0.00 N ATOM 523 CA PRO A 147 13.992 21.461 2.840 1.00 0.00 C ATOM 524 C PRO A 147 15.513 21.627 2.937 1.00 0.00 C ATOM 525 O PRO A 147 16.200 21.714 1.938 1.00 0.00 O ATOM 526 CB PRO A 147 13.284 22.780 3.131 1.00 0.00 C ATOM 527 CG PRO A 147 12.959 22.731 4.591 1.00 0.00 C ATOM 528 CD PRO A 147 12.781 21.281 4.960 1.00 0.00 C ATOM 0 HA PRO A 147 13.794 21.086 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.924 23.631 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.381 22.885 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.759 23.182 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.051 23.296 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.199 21.065 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.727 21.005 4.994 1.00 0.00 H new ATOM 536 N MET A 148 16.044 21.675 4.127 1.00 0.00 N ATOM 537 CA MET A 148 17.519 21.839 4.277 1.00 0.00 C ATOM 538 C MET A 148 18.257 20.710 3.551 1.00 0.00 C ATOM 539 O MET A 148 19.273 20.925 2.921 1.00 0.00 O ATOM 540 CB MET A 148 17.777 21.771 5.783 1.00 0.00 C ATOM 541 CG MET A 148 17.638 20.325 6.263 1.00 0.00 C ATOM 542 SD MET A 148 17.956 20.248 8.044 1.00 0.00 S ATOM 543 CE MET A 148 16.246 19.975 8.566 1.00 0.00 C ATOM 0 H MET A 148 15.523 21.608 5.001 1.00 0.00 H new ATOM 0 HA MET A 148 17.874 22.775 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.776 22.145 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 148 17.070 22.410 6.312 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.637 19.953 6.045 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.340 19.684 5.729 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.059 20.512 9.496 1.00 0.00 H new ATOM 0 HE2 MET A 148 15.568 20.339 7.795 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.079 18.909 8.722 1.00 0.00 H new ATOM 553 N THR A 149 17.753 19.508 3.636 1.00 0.00 N ATOM 554 CA THR A 149 18.426 18.366 2.952 1.00 0.00 C ATOM 555 C THR A 149 17.666 17.993 1.676 1.00 0.00 C ATOM 556 O THR A 149 18.153 17.252 0.845 1.00 0.00 O ATOM 557 CB THR A 149 18.378 17.218 3.963 1.00 0.00 C ATOM 558 OG1 THR A 149 18.837 16.024 3.345 1.00 0.00 O ATOM 559 CG2 THR A 149 16.942 17.023 4.450 1.00 0.00 C ATOM 0 H THR A 149 16.905 19.268 4.149 1.00 0.00 H new ATOM 0 HA THR A 149 19.447 18.604 2.654 1.00 0.00 H new ATOM 0 HB THR A 149 19.018 17.456 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.608 16.040 2.392 1.00 0.00 H new ATOM 0 HG21 THR A 149 16.910 16.205 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.592 17.939 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.299 16.786 3.602 1.00 0.00 H new ATOM 567 N GLY A 150 16.475 18.502 1.516 1.00 0.00 N ATOM 568 CA GLY A 150 15.682 18.181 0.295 1.00 0.00 C ATOM 569 C GLY A 150 15.317 16.695 0.298 1.00 0.00 C ATOM 570 O GLY A 150 14.894 16.148 -0.703 1.00 0.00 O ATOM 0 H GLY A 150 16.016 19.127 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.777 18.788 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.257 18.423 -0.599 1.00 0.00 H new ATOM 574 N THR A 151 15.476 16.037 1.413 1.00 0.00 N ATOM 575 CA THR A 151 15.136 14.586 1.478 1.00 0.00 C ATOM 576 C THR A 151 14.424 14.268 2.795 1.00 0.00 C ATOM 577 O THR A 151 14.141 15.147 3.586 1.00 0.00 O ATOM 578 CB THR A 151 16.481 13.858 1.406 1.00 0.00 C ATOM 579 OG1 THR A 151 17.531 14.772 1.694 1.00 0.00 O ATOM 580 CG2 THR A 151 16.674 13.280 0.003 1.00 0.00 C ATOM 0 H THR A 151 15.826 16.440 2.282 1.00 0.00 H new ATOM 0 HA THR A 151 14.466 14.283 0.673 1.00 0.00 H new ATOM 0 HB THR A 151 16.496 13.048 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.684 14.800 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.632 12.762 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.869 12.578 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.659 14.088 -0.729 1.00 0.00 H new ATOM 588 N PHE A 152 14.130 13.019 3.037 1.00 0.00 N ATOM 589 CA PHE A 152 13.436 12.650 4.303 1.00 0.00 C ATOM 590 C PHE A 152 14.461 12.334 5.392 1.00 0.00 C ATOM 591 O PHE A 152 15.398 11.590 5.180 1.00 0.00 O ATOM 592 CB PHE A 152 12.618 11.405 3.958 1.00 0.00 C ATOM 593 CG PHE A 152 11.795 11.671 2.720 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.658 12.484 2.796 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.170 11.104 1.496 1.00 0.00 C ATOM 596 CE1 PHE A 152 9.896 12.730 1.646 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.408 11.350 0.348 1.00 0.00 C ATOM 598 CZ PHE A 152 10.271 12.162 0.423 1.00 0.00 C ATOM 0 H PHE A 152 14.340 12.240 2.413 1.00 0.00 H new ATOM 0 HA PHE A 152 12.809 13.457 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.281 10.556 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.966 11.142 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.368 12.921 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.047 10.477 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.019 13.358 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 152 11.698 10.913 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.683 12.350 -0.463 1.00 0.00 H new ATOM 608 N ARG A 153 14.293 12.895 6.558 1.00 0.00 N ATOM 609 CA ARG A 153 15.263 12.623 7.655 1.00 0.00 C ATOM 610 C ARG A 153 14.652 11.678 8.689 1.00 0.00 C ATOM 611 O ARG A 153 13.468 11.709 8.960 1.00 0.00 O ATOM 612 CB ARG A 153 15.555 13.984 8.285 1.00 0.00 C ATOM 613 CG ARG A 153 16.746 14.626 7.573 1.00 0.00 C ATOM 614 CD ARG A 153 17.979 14.559 8.476 1.00 0.00 C ATOM 615 NE ARG A 153 18.274 15.976 8.825 1.00 0.00 N ATOM 616 CZ ARG A 153 19.476 16.321 9.199 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.113 15.606 10.085 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.039 17.380 8.686 1.00 0.00 N ATOM 0 H ARG A 153 13.529 13.527 6.798 1.00 0.00 H new ATOM 0 HA ARG A 153 16.169 12.144 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.680 14.629 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.771 13.867 9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 153 16.942 14.110 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.519 15.663 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.784 13.965 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.821 14.095 7.962 1.00 0.00 H new ATOM 0 HE ARG A 153 17.536 16.678 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.672 14.778 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.052 15.875 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.540 17.938 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.978 17.650 8.978 1.00 0.00 H new ATOM 632 N CYS A 154 15.463 10.842 9.270 1.00 0.00 N ATOM 633 CA CYS A 154 14.960 9.888 10.298 1.00 0.00 C ATOM 634 C CYS A 154 14.104 10.628 11.332 1.00 0.00 C ATOM 635 O CYS A 154 13.960 11.833 11.280 1.00 0.00 O ATOM 636 CB CYS A 154 16.232 9.343 10.939 1.00 0.00 C ATOM 637 SG CYS A 154 15.860 7.860 11.898 1.00 0.00 S ATOM 0 H CYS A 154 16.462 10.777 9.076 1.00 0.00 H new ATOM 0 HA CYS A 154 14.330 9.102 9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.966 9.111 10.168 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.676 10.101 11.585 1.00 0.00 H new ATOM 642 N THR A 155 13.534 9.920 12.270 1.00 0.00 N ATOM 643 CA THR A 155 12.691 10.594 13.300 1.00 0.00 C ATOM 644 C THR A 155 13.268 10.363 14.699 1.00 0.00 C ATOM 645 O THR A 155 12.977 11.094 15.624 1.00 0.00 O ATOM 646 CB THR A 155 11.306 9.951 13.176 1.00 0.00 C ATOM 647 OG1 THR A 155 11.358 8.879 12.244 1.00 0.00 O ATOM 648 CG2 THR A 155 10.300 10.999 12.698 1.00 0.00 C ATOM 0 H THR A 155 13.615 8.908 12.368 1.00 0.00 H new ATOM 0 HA THR A 155 12.651 11.673 13.150 1.00 0.00 H new ATOM 0 HB THR A 155 10.996 9.567 14.148 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.522 8.039 12.721 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.314 10.543 12.609 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.258 11.817 13.417 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.610 11.385 11.727 1.00 0.00 H new ATOM 656 N PHE A 156 14.087 9.359 14.865 1.00 0.00 N ATOM 657 CA PHE A 156 14.674 9.106 16.213 1.00 0.00 C ATOM 658 C PHE A 156 16.179 9.364 16.184 1.00 0.00 C ATOM 659 O PHE A 156 16.741 9.923 17.105 1.00 0.00 O ATOM 660 CB PHE A 156 14.385 7.637 16.571 1.00 0.00 C ATOM 661 CG PHE A 156 13.869 6.866 15.375 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.745 6.494 14.352 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.513 6.525 15.298 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.265 5.780 13.249 1.00 0.00 C ATOM 665 CE2 PHE A 156 12.034 5.810 14.193 1.00 0.00 C ATOM 666 CZ PHE A 156 12.911 5.438 13.168 1.00 0.00 C ATOM 0 H PHE A 156 14.373 8.709 14.133 1.00 0.00 H new ATOM 0 HA PHE A 156 14.237 9.771 16.958 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.295 7.166 16.944 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.652 7.595 17.376 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.791 6.757 14.413 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.837 6.813 16.090 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.942 5.492 12.458 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.989 5.546 14.132 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.543 4.887 12.315 1.00 0.00 H new ATOM 676 N CYS A 157 16.833 8.979 15.128 1.00 0.00 N ATOM 677 CA CYS A 157 18.299 9.221 15.036 1.00 0.00 C ATOM 678 C CYS A 157 18.571 10.250 13.925 1.00 0.00 C ATOM 679 O CYS A 157 19.672 10.390 13.431 1.00 0.00 O ATOM 680 CB CYS A 157 18.910 7.828 14.776 1.00 0.00 C ATOM 681 SG CYS A 157 19.425 7.619 13.054 1.00 0.00 S ATOM 0 H CYS A 157 16.418 8.508 14.324 1.00 0.00 H new ATOM 0 HA CYS A 157 18.745 9.650 15.933 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.769 7.682 15.431 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.180 7.060 15.031 1.00 0.00 H new ATOM 686 N HIS A 158 17.550 10.988 13.570 1.00 0.00 N ATOM 687 CA HIS A 158 17.660 12.057 12.527 1.00 0.00 C ATOM 688 C HIS A 158 18.718 11.755 11.457 1.00 0.00 C ATOM 689 O HIS A 158 19.320 12.658 10.909 1.00 0.00 O ATOM 690 CB HIS A 158 18.030 13.317 13.308 1.00 0.00 C ATOM 691 CG HIS A 158 16.785 13.909 13.909 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.104 14.960 13.315 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.076 13.599 15.045 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.037 15.241 14.087 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.975 14.440 15.155 1.00 0.00 N ATOM 0 H HIS A 158 16.617 10.892 13.971 1.00 0.00 H new ATOM 0 HA HIS A 158 16.727 12.150 11.972 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.748 13.076 14.092 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.510 14.040 12.649 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.335 12.820 15.746 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.319 16.018 13.870 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.271 14.445 15.893 1.00 0.00 H new ATOM 703 N THR A 159 18.937 10.516 11.125 1.00 0.00 N ATOM 704 CA THR A 159 19.935 10.210 10.061 1.00 0.00 C ATOM 705 C THR A 159 19.242 10.245 8.695 1.00 0.00 C ATOM 706 O THR A 159 18.072 9.938 8.578 1.00 0.00 O ATOM 707 CB THR A 159 20.438 8.803 10.375 1.00 0.00 C ATOM 708 OG1 THR A 159 21.341 8.863 11.470 1.00 0.00 O ATOM 709 CG2 THR A 159 21.149 8.220 9.149 1.00 0.00 C ATOM 0 H THR A 159 18.474 9.707 11.539 1.00 0.00 H new ATOM 0 HA THR A 159 20.755 10.928 10.032 1.00 0.00 H new ATOM 0 HB THR A 159 19.594 8.164 10.632 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.836 8.918 12.308 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.506 7.216 9.379 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.453 8.175 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.995 8.854 8.883 1.00 0.00 H new ATOM 717 N GLU A 160 19.947 10.618 7.662 1.00 0.00 N ATOM 718 CA GLU A 160 19.315 10.670 6.311 1.00 0.00 C ATOM 719 C GLU A 160 18.815 9.280 5.903 1.00 0.00 C ATOM 720 O GLU A 160 19.553 8.314 5.918 1.00 0.00 O ATOM 721 CB GLU A 160 20.425 11.139 5.370 1.00 0.00 C ATOM 722 CG GLU A 160 19.821 11.988 4.251 1.00 0.00 C ATOM 723 CD GLU A 160 20.907 12.337 3.231 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.855 13.004 3.611 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.771 11.932 2.089 1.00 0.00 O ATOM 0 H GLU A 160 20.930 10.888 7.694 1.00 0.00 H new ATOM 0 HA GLU A 160 18.452 11.336 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.164 11.719 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.946 10.279 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.011 11.444 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.389 12.899 4.664 1.00 0.00 H new ATOM 732 N VAL A 161 17.567 9.174 5.535 1.00 0.00 N ATOM 733 CA VAL A 161 17.016 7.849 5.125 1.00 0.00 C ATOM 734 C VAL A 161 17.228 7.632 3.623 1.00 0.00 C ATOM 735 O VAL A 161 17.832 8.441 2.949 1.00 0.00 O ATOM 736 CB VAL A 161 15.524 7.923 5.448 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.336 8.109 6.954 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.903 9.110 4.709 1.00 0.00 C ATOM 0 H VAL A 161 16.904 9.948 5.500 1.00 0.00 H new ATOM 0 HA VAL A 161 17.504 7.021 5.640 1.00 0.00 H new ATOM 0 HB VAL A 161 15.038 7.000 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.272 8.162 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.780 7.266 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.822 9.032 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.839 9.165 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.390 10.032 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.037 8.980 3.635 1.00 0.00 H new ATOM 748 N GLU A 162 16.736 6.544 3.094 1.00 0.00 N ATOM 749 CA GLU A 162 16.911 6.280 1.635 1.00 0.00 C ATOM 750 C GLU A 162 15.820 5.333 1.131 1.00 0.00 C ATOM 751 O GLU A 162 15.477 4.364 1.779 1.00 0.00 O ATOM 752 CB GLU A 162 18.287 5.622 1.515 1.00 0.00 C ATOM 753 CG GLU A 162 19.365 6.701 1.397 1.00 0.00 C ATOM 754 CD GLU A 162 20.710 6.046 1.077 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.769 4.828 1.084 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.657 6.774 0.829 1.00 0.00 O ATOM 0 H GLU A 162 16.222 5.828 3.607 1.00 0.00 H new ATOM 0 HA GLU A 162 16.839 7.191 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.479 4.996 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.314 4.970 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.099 7.412 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.435 7.264 2.328 1.00 0.00 H new ATOM 763 N GLU A 163 15.270 5.604 -0.022 1.00 0.00 N ATOM 764 CA GLU A 163 14.203 4.714 -0.565 1.00 0.00 C ATOM 765 C GLU A 163 14.637 3.250 -0.457 1.00 0.00 C ATOM 766 O GLU A 163 15.724 2.883 -0.856 1.00 0.00 O ATOM 767 CB GLU A 163 14.047 5.126 -2.029 1.00 0.00 C ATOM 768 CG GLU A 163 12.827 6.039 -2.175 1.00 0.00 C ATOM 769 CD GLU A 163 12.702 6.497 -3.629 1.00 0.00 C ATOM 770 OE1 GLU A 163 13.699 6.933 -4.180 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.610 6.406 -4.167 1.00 0.00 O ATOM 0 H GLU A 163 15.512 6.401 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 163 13.265 4.808 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.944 5.643 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.930 4.242 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 163 11.925 5.509 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.926 6.903 -1.518 1.00 0.00 H new ATOM 778 N ASP A 164 13.796 2.411 0.082 1.00 0.00 N ATOM 779 CA ASP A 164 14.162 0.972 0.220 1.00 0.00 C ATOM 780 C ASP A 164 13.721 0.185 -1.016 1.00 0.00 C ATOM 781 O ASP A 164 12.548 -0.060 -1.222 1.00 0.00 O ATOM 782 CB ASP A 164 13.406 0.491 1.458 1.00 0.00 C ATOM 783 CG ASP A 164 13.563 -1.025 1.597 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.287 -1.600 0.801 1.00 0.00 O ATOM 785 OD2 ASP A 164 12.957 -1.584 2.495 1.00 0.00 O ATOM 0 H ASP A 164 12.871 2.659 0.433 1.00 0.00 H new ATOM 0 HA ASP A 164 15.239 0.830 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.790 0.990 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.351 0.752 1.377 1.00 0.00 H new ATOM 790 N GLU A 165 14.650 -0.215 -1.840 1.00 0.00 N ATOM 791 CA GLU A 165 14.283 -0.990 -3.060 1.00 0.00 C ATOM 792 C GLU A 165 14.880 -2.398 -2.990 1.00 0.00 C ATOM 793 O GLU A 165 15.008 -3.079 -3.987 1.00 0.00 O ATOM 794 CB GLU A 165 14.889 -0.206 -4.225 1.00 0.00 C ATOM 795 CG GLU A 165 13.770 0.311 -5.132 1.00 0.00 C ATOM 796 CD GLU A 165 14.058 1.762 -5.524 1.00 0.00 C ATOM 797 OE1 GLU A 165 14.501 2.509 -4.667 1.00 0.00 O ATOM 798 OE2 GLU A 165 13.832 2.100 -6.673 1.00 0.00 O ATOM 0 H GLU A 165 15.648 -0.039 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 165 13.205 -1.108 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 165 15.480 0.629 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.566 -0.844 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 165 13.695 -0.310 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 165 12.811 0.246 -4.617 1.00 0.00 H new ATOM 805 N SER A 166 15.248 -2.839 -1.817 1.00 0.00 N ATOM 806 CA SER A 166 15.836 -4.204 -1.683 1.00 0.00 C ATOM 807 C SER A 166 15.989 -4.575 -0.205 1.00 0.00 C ATOM 808 O SER A 166 16.970 -5.166 0.198 1.00 0.00 O ATOM 809 CB SER A 166 17.206 -4.112 -2.356 1.00 0.00 C ATOM 810 OG SER A 166 17.630 -5.413 -2.737 1.00 0.00 O ATOM 0 H SER A 166 15.167 -2.314 -0.946 1.00 0.00 H new ATOM 0 HA SER A 166 15.207 -4.969 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 166 17.151 -3.464 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 166 17.930 -3.666 -1.674 1.00 0.00 H new ATOM 0 HG SER A 166 18.507 -5.357 -3.170 1.00 0.00 H new ATOM 816 N ALA A 167 15.023 -4.233 0.605 1.00 0.00 N ATOM 817 CA ALA A 167 15.111 -4.568 2.055 1.00 0.00 C ATOM 818 C ALA A 167 13.711 -4.597 2.675 1.00 0.00 C ATOM 819 O ALA A 167 13.504 -4.153 3.788 1.00 0.00 O ATOM 820 CB ALA A 167 15.948 -3.446 2.671 1.00 0.00 C ATOM 0 H ALA A 167 14.177 -3.736 0.325 1.00 0.00 H new ATOM 0 HA ALA A 167 15.555 -5.548 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 167 16.059 -3.620 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 167 16.932 -3.427 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 167 15.450 -2.490 2.509 1.00 0.00 H new ATOM 826 N MET A 168 12.749 -5.118 1.964 1.00 0.00 N ATOM 827 CA MET A 168 11.362 -5.175 2.510 1.00 0.00 C ATOM 828 C MET A 168 11.285 -6.175 3.668 1.00 0.00 C ATOM 829 O MET A 168 11.597 -7.338 3.503 1.00 0.00 O ATOM 830 CB MET A 168 10.496 -5.642 1.341 1.00 0.00 C ATOM 831 CG MET A 168 10.199 -4.458 0.420 1.00 0.00 C ATOM 832 SD MET A 168 8.803 -3.514 1.083 1.00 0.00 S ATOM 833 CE MET A 168 9.737 -2.040 1.564 1.00 0.00 C ATOM 0 H MET A 168 12.863 -5.507 1.028 1.00 0.00 H new ATOM 0 HA MET A 168 11.035 -4.212 2.903 1.00 0.00 H new ATOM 0 HB2 MET A 168 11.009 -6.428 0.786 1.00 0.00 H new ATOM 0 HB3 MET A 168 9.565 -6.070 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 168 11.078 -3.818 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 168 9.968 -4.813 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 168 9.249 -1.561 2.413 1.00 0.00 H new ATOM 0 HE2 MET A 168 10.751 -2.327 1.843 1.00 0.00 H new ATOM 0 HE3 MET A 168 9.774 -1.344 0.726 1.00 0.00 H new ATOM 843 N PRO A 169 10.873 -5.685 4.807 1.00 0.00 N ATOM 844 CA PRO A 169 10.756 -6.546 6.008 1.00 0.00 C ATOM 845 C PRO A 169 9.513 -7.438 5.913 1.00 0.00 C ATOM 846 O PRO A 169 8.614 -7.351 6.725 1.00 0.00 O ATOM 847 CB PRO A 169 10.616 -5.547 7.151 1.00 0.00 C ATOM 848 CG PRO A 169 10.050 -4.310 6.524 1.00 0.00 C ATOM 849 CD PRO A 169 10.485 -4.297 5.080 1.00 0.00 C ATOM 0 HA PRO A 169 11.604 -7.219 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 169 9.957 -5.930 7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 169 11.580 -5.346 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 169 8.962 -4.306 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 169 10.408 -3.420 7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 169 9.677 -3.973 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 169 11.318 -3.612 4.921 1.00 0.00 H new ATOM 857 N LYS A 170 9.455 -8.295 4.928 1.00 0.00 N ATOM 858 CA LYS A 170 8.267 -9.188 4.791 1.00 0.00 C ATOM 859 C LYS A 170 8.461 -10.162 3.624 1.00 0.00 C ATOM 860 O LYS A 170 8.023 -11.294 3.671 1.00 0.00 O ATOM 861 CB LYS A 170 7.093 -8.248 4.516 1.00 0.00 C ATOM 862 CG LYS A 170 5.858 -8.738 5.273 1.00 0.00 C ATOM 863 CD LYS A 170 5.230 -7.572 6.039 1.00 0.00 C ATOM 864 CE LYS A 170 4.053 -8.084 6.871 1.00 0.00 C ATOM 865 NZ LYS A 170 4.427 -7.794 8.284 1.00 0.00 N ATOM 0 H LYS A 170 10.175 -8.415 4.216 1.00 0.00 H new ATOM 0 HA LYS A 170 8.105 -9.794 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 170 7.345 -7.234 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 170 6.886 -8.211 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 170 5.135 -9.160 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 170 6.135 -9.534 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 170 5.973 -7.107 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 170 4.891 -6.806 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 170 3.126 -7.580 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 170 3.894 -9.151 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 3.668 -8.117 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 5.309 -8.292 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 4.565 -6.770 8.403 1.00 0.00 H new ATOM 879 N LYS A 171 9.113 -9.731 2.578 1.00 0.00 N ATOM 880 CA LYS A 171 9.328 -10.636 1.411 1.00 0.00 C ATOM 881 C LYS A 171 10.742 -10.456 0.852 1.00 0.00 C ATOM 882 O LYS A 171 11.071 -9.430 0.290 1.00 0.00 O ATOM 883 CB LYS A 171 8.283 -10.208 0.380 1.00 0.00 C ATOM 884 CG LYS A 171 8.272 -11.202 -0.784 1.00 0.00 C ATOM 885 CD LYS A 171 7.452 -12.434 -0.396 1.00 0.00 C ATOM 886 CE LYS A 171 8.387 -13.626 -0.178 1.00 0.00 C ATOM 887 NZ LYS A 171 9.044 -13.845 -1.497 1.00 0.00 N ATOM 0 H LYS A 171 9.505 -8.794 2.481 1.00 0.00 H new ATOM 0 HA LYS A 171 9.227 -11.687 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 171 7.297 -10.164 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 171 8.508 -9.206 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 171 7.847 -10.734 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 171 9.291 -11.495 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 171 6.884 -12.234 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 171 6.730 -12.664 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 171 9.122 -13.415 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 171 7.833 -14.510 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 9.105 -14.865 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 8.485 -13.385 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 10.001 -13.438 -1.480 1.00 0.00 H new ATOM 901 N ASP A 172 11.580 -11.445 1.002 1.00 0.00 N ATOM 902 CA ASP A 172 12.970 -11.330 0.477 1.00 0.00 C ATOM 903 C ASP A 172 12.952 -11.305 -1.054 1.00 0.00 C ATOM 904 O ASP A 172 12.225 -12.045 -1.686 1.00 0.00 O ATOM 905 CB ASP A 172 13.693 -12.578 0.986 1.00 0.00 C ATOM 906 CG ASP A 172 13.398 -12.767 2.475 1.00 0.00 C ATOM 907 OD1 ASP A 172 12.333 -13.273 2.788 1.00 0.00 O ATOM 908 OD2 ASP A 172 14.241 -12.400 3.277 1.00 0.00 O ATOM 0 H ASP A 172 11.362 -12.327 1.465 1.00 0.00 H new ATOM 0 HA ASP A 172 13.462 -10.415 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 172 13.367 -13.454 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 172 14.767 -12.480 0.827 1.00 0.00 H new ATOM 913 N ALA A 173 13.743 -10.457 -1.652 1.00 0.00 N ATOM 914 CA ALA A 173 13.767 -10.384 -3.142 1.00 0.00 C ATOM 915 C ALA A 173 12.374 -10.041 -3.676 1.00 0.00 C ATOM 916 O ALA A 173 12.065 -10.278 -4.827 1.00 0.00 O ATOM 917 CB ALA A 173 14.190 -11.781 -3.599 1.00 0.00 C ATOM 0 H ALA A 173 14.373 -9.812 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 173 14.445 -9.613 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 173 14.232 -11.811 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 173 15.174 -12.015 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 173 13.466 -12.515 -3.244 1.00 0.00 H new ATOM 923 N ARG A 174 11.529 -9.485 -2.849 1.00 0.00 N ATOM 924 CA ARG A 174 10.156 -9.128 -3.309 1.00 0.00 C ATOM 925 C ARG A 174 9.425 -10.376 -3.810 1.00 0.00 C ATOM 926 O ARG A 174 9.769 -11.458 -3.363 1.00 0.00 O ATOM 927 CB ARG A 174 10.365 -8.135 -4.452 1.00 0.00 C ATOM 928 CG ARG A 174 11.261 -6.990 -3.978 1.00 0.00 C ATOM 929 CD ARG A 174 12.518 -6.932 -4.848 1.00 0.00 C ATOM 930 NE ARG A 174 12.270 -5.823 -5.809 1.00 0.00 N ATOM 931 CZ ARG A 174 12.995 -5.720 -6.888 1.00 0.00 C ATOM 932 NH1 ARG A 174 14.106 -5.037 -6.865 1.00 0.00 N ATOM 933 NH2 ARG A 174 12.610 -6.302 -7.992 1.00 0.00 N ATOM 934 OXT ARG A 174 8.536 -10.228 -4.631 1.00 0.00 O ATOM 0 H ARG A 174 11.731 -9.263 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 174 9.550 -8.705 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.820 -8.638 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 174 9.405 -7.744 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 174 10.722 -6.044 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 174 11.535 -7.137 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 174 13.406 -6.741 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 174 12.682 -7.876 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 174 11.533 -5.143 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 174 14.408 -4.583 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 174 14.673 -4.957 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 174 11.742 -6.837 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.177 -6.221 -8.836 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.747 6.543 11.904 1.00 0.00 ZN