USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -89:sc= -0.27 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.35 K(o=-0.62,f=0.027) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.0161 K(o=-0.016,f=-0.81) USER MOD Single : A 144 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.78) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.742 USER MOD Single : A 152 SER OG : rot -97:sc= 1.26 USER MOD Single : A 154 MET CE :methyl -160:sc= -1.09 (180deg=-2.28!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0122 (180deg=-0.0122) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.57) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 63:sc= -1.83! USER MOD Single : A 168 LYS NZ :NH3+ 139:sc= -1.44 (180deg=-1.91) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 180 THR OG1 : rot -32:sc= 1.17 USER MOD Single : A 185 MET CE :methyl -149:sc= -2.19 (180deg=-2.99!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 136:sc= -5.71! (180deg=-10!) USER MOD Single : A 190 THR OG1 : rot 38:sc= 1.05 USER MOD Single : A 192 MET CE :methyl -142:sc= -0.437 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.061 -1.121 -4.939 1.00 0.00 N ATOM 92 CA THR A 133 62.030 -0.737 -5.904 1.00 0.00 C ATOM 93 C THR A 133 61.306 -1.950 -6.465 1.00 0.00 C ATOM 94 O THR A 133 60.095 -1.920 -6.627 1.00 0.00 O ATOM 95 CB THR A 133 62.662 0.063 -7.055 1.00 0.00 C ATOM 96 OG1 THR A 133 63.433 -0.811 -7.873 1.00 0.00 O ATOM 97 CG2 THR A 133 63.566 1.174 -6.499 1.00 0.00 C ATOM 0 HA THR A 133 61.300 -0.120 -5.380 1.00 0.00 H new ATOM 0 HB THR A 133 61.868 0.517 -7.647 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.349 -0.857 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.007 1.732 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.975 1.849 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.359 0.731 -5.897 1.00 0.00 H new ATOM 105 N GLN A 134 62.039 -3.034 -6.698 1.00 0.00 N ATOM 106 CA GLN A 134 61.458 -4.224 -7.326 1.00 0.00 C ATOM 107 C GLN A 134 60.215 -4.709 -6.573 1.00 0.00 C ATOM 108 O GLN A 134 59.178 -4.969 -7.187 1.00 0.00 O ATOM 109 CB GLN A 134 62.495 -5.344 -7.382 1.00 0.00 C ATOM 110 CG GLN A 134 63.627 -4.949 -8.332 1.00 0.00 C ATOM 111 CD GLN A 134 64.647 -6.078 -8.429 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.508 -6.213 -7.561 1.00 0.00 O ATOM 113 NE2 GLN A 134 64.599 -6.902 -9.439 1.00 0.00 N ATOM 0 H GLN A 134 63.029 -3.117 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 134 61.156 -3.952 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.893 -5.535 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.028 -6.269 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.223 -4.728 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.112 -4.040 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 134 63.884 -6.787 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 134 65.277 -7.661 -9.511 1.00 0.00 H new ATOM 122 N LEU A 135 60.292 -4.748 -5.242 1.00 0.00 N ATOM 123 CA LEU A 135 59.188 -5.282 -4.443 1.00 0.00 C ATOM 124 C LEU A 135 57.901 -4.488 -4.651 1.00 0.00 C ATOM 125 O LEU A 135 56.879 -5.053 -5.044 1.00 0.00 O ATOM 126 CB LEU A 135 59.556 -5.230 -2.965 1.00 0.00 C ATOM 127 CG LEU A 135 60.675 -6.224 -2.673 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.197 -5.982 -1.258 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.124 -7.648 -2.778 1.00 0.00 C ATOM 0 H LEU A 135 61.093 -4.422 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 135 59.017 -6.309 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.873 -4.223 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.683 -5.463 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 135 61.485 -6.095 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.998 -6.688 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.580 -4.964 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.386 -6.120 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.920 -8.363 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.319 -7.781 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.739 -7.816 -3.784 1.00 0.00 H new ATOM 141 N PHE A 136 57.962 -3.175 -4.419 1.00 0.00 N ATOM 142 CA PHE A 136 56.808 -2.314 -4.688 1.00 0.00 C ATOM 143 C PHE A 136 56.607 -1.950 -6.159 1.00 0.00 C ATOM 144 O PHE A 136 55.466 -1.778 -6.593 1.00 0.00 O ATOM 145 CB PHE A 136 56.706 -1.107 -3.743 1.00 0.00 C ATOM 146 CG PHE A 136 57.986 -0.566 -3.170 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.941 0.108 -3.961 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.185 -0.703 -1.782 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.107 0.639 -3.345 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.343 -0.179 -1.172 1.00 0.00 C ATOM 151 CZ PHE A 136 60.305 0.494 -1.953 1.00 0.00 C ATOM 0 H PHE A 136 58.782 -2.691 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 136 55.952 -2.946 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.210 -0.299 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.056 -1.383 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.787 0.219 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.446 -1.213 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.844 1.155 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.493 -0.293 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.192 0.898 -1.488 1.00 0.00 H new ATOM 161 N ALA A 137 57.676 -1.924 -6.950 1.00 0.00 N ATOM 162 CA ALA A 137 57.531 -1.659 -8.391 1.00 0.00 C ATOM 163 C ALA A 137 56.596 -2.692 -9.037 1.00 0.00 C ATOM 164 O ALA A 137 55.987 -2.428 -10.074 1.00 0.00 O ATOM 165 CB ALA A 137 58.893 -1.695 -9.087 1.00 0.00 C ATOM 0 H ALA A 137 58.634 -2.078 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 137 57.100 -0.665 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.763 -1.497 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.544 -0.936 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.344 -2.678 -8.954 1.00 0.00 H new ATOM 171 N ASP A 138 56.493 -3.869 -8.410 1.00 0.00 N ATOM 172 CA ASP A 138 55.458 -4.852 -8.755 1.00 0.00 C ATOM 173 C ASP A 138 54.056 -4.225 -8.656 1.00 0.00 C ATOM 174 O ASP A 138 53.807 -3.402 -7.774 1.00 0.00 O ATOM 175 CB ASP A 138 55.563 -6.037 -7.778 1.00 0.00 C ATOM 176 CG ASP A 138 54.707 -7.229 -8.222 1.00 0.00 C ATOM 177 OD1 ASP A 138 53.919 -7.078 -9.138 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.859 -8.285 -7.630 1.00 0.00 O ATOM 0 H ASP A 138 57.116 -4.165 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 138 55.609 -5.189 -9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.604 -6.349 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.249 -5.716 -6.785 1.00 0.00 H new ATOM 183 N PRO A 139 53.148 -4.583 -9.543 1.00 0.00 N ATOM 184 CA PRO A 139 51.694 -4.295 -9.337 1.00 0.00 C ATOM 185 C PRO A 139 51.135 -5.040 -8.129 1.00 0.00 C ATOM 186 O PRO A 139 51.748 -5.990 -7.641 1.00 0.00 O ATOM 187 CB PRO A 139 51.012 -4.759 -10.636 1.00 0.00 C ATOM 188 CG PRO A 139 52.027 -5.580 -11.353 1.00 0.00 C ATOM 189 CD PRO A 139 53.386 -5.039 -10.925 1.00 0.00 C ATOM 0 HA PRO A 139 51.520 -3.239 -9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.117 -5.343 -10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.700 -3.907 -11.240 1.00 0.00 H new ATOM 0 HG2 PRO A 139 51.928 -6.634 -11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.899 -5.503 -12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.157 -5.808 -10.968 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.715 -4.222 -11.567 1.00 0.00 H new ATOM 197 N ASN A 140 49.931 -4.638 -7.704 1.00 0.00 N ATOM 198 CA ASN A 140 49.379 -4.949 -6.366 1.00 0.00 C ATOM 199 C ASN A 140 50.388 -5.524 -5.360 1.00 0.00 C ATOM 200 O ASN A 140 50.382 -6.727 -5.082 1.00 0.00 O ATOM 201 CB ASN A 140 48.215 -5.940 -6.523 1.00 0.00 C ATOM 202 CG ASN A 140 47.178 -5.402 -7.508 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.006 -4.188 -7.631 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.486 -6.238 -8.232 1.00 0.00 N ATOM 0 H ASN A 140 49.300 -4.081 -8.281 1.00 0.00 H new ATOM 0 HA ASN A 140 49.058 -3.994 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.593 -6.900 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.747 -6.116 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.801 -5.887 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.630 -7.242 -8.129 1.00 0.00 H new ATOM 211 N LEU A 141 51.274 -4.677 -4.835 1.00 0.00 N ATOM 212 CA LEU A 141 51.926 -4.994 -3.565 1.00 0.00 C ATOM 213 C LEU A 141 51.414 -4.083 -2.438 1.00 0.00 C ATOM 214 O LEU A 141 51.540 -4.424 -1.261 1.00 0.00 O ATOM 215 CB LEU A 141 53.446 -4.835 -3.706 1.00 0.00 C ATOM 216 CG LEU A 141 54.149 -5.418 -2.469 1.00 0.00 C ATOM 217 CD1 LEU A 141 53.945 -6.941 -2.426 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.649 -5.095 -2.528 1.00 0.00 C ATOM 0 H LEU A 141 51.551 -3.790 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 141 51.687 -6.026 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.792 -5.344 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.702 -3.781 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 141 53.722 -4.975 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.445 -7.350 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 141 52.879 -7.164 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.366 -7.390 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.145 -5.509 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.080 -5.532 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.788 -4.014 -2.547 1.00 0.00 H new ATOM 230 N ILE A 142 50.725 -2.989 -2.796 1.00 0.00 N ATOM 231 CA ILE A 142 50.163 -2.096 -1.786 1.00 0.00 C ATOM 232 C ILE A 142 49.052 -2.790 -0.992 1.00 0.00 C ATOM 233 O ILE A 142 48.883 -2.511 0.192 1.00 0.00 O ATOM 234 CB ILE A 142 49.672 -0.771 -2.431 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.885 0.155 -2.664 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.666 -0.048 -1.510 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.456 1.411 -3.441 1.00 0.00 C ATOM 0 H ILE A 142 50.549 -2.709 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 142 50.952 -1.842 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 142 49.179 -1.007 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.321 0.442 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.657 -0.378 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.338 0.877 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.804 -0.692 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.145 0.183 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.321 2.055 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.042 1.118 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.701 1.951 -2.871 1.00 0.00 H new ATOM 249 N GLU A 143 48.314 -3.715 -1.614 1.00 0.00 N ATOM 250 CA GLU A 143 47.139 -4.294 -0.950 1.00 0.00 C ATOM 251 C GLU A 143 47.546 -5.081 0.296 1.00 0.00 C ATOM 252 O GLU A 143 47.053 -4.828 1.395 1.00 0.00 O ATOM 253 CB GLU A 143 46.420 -5.236 -1.915 1.00 0.00 C ATOM 254 CG GLU A 143 45.723 -4.415 -2.999 1.00 0.00 C ATOM 255 CD GLU A 143 44.961 -5.336 -3.949 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.345 -6.274 -3.469 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.006 -5.089 -5.143 1.00 0.00 O ATOM 0 H GLU A 143 48.501 -4.072 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 143 46.480 -3.479 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.133 -5.925 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.691 -5.840 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.036 -3.703 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.459 -3.835 -3.556 1.00 0.00 H new ATOM 264 N ASN A 144 48.542 -5.950 0.145 1.00 0.00 N ATOM 265 CA ASN A 144 49.140 -6.640 1.291 1.00 0.00 C ATOM 266 C ASN A 144 49.636 -5.624 2.324 1.00 0.00 C ATOM 267 O ASN A 144 49.496 -5.819 3.531 1.00 0.00 O ATOM 268 CB ASN A 144 50.315 -7.494 0.806 1.00 0.00 C ATOM 269 CG ASN A 144 49.853 -8.478 -0.268 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.701 -8.918 -0.256 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.669 -8.809 -1.232 1.00 0.00 N ATOM 0 H ASN A 144 48.953 -6.195 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 144 48.388 -7.275 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.099 -6.851 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.747 -8.039 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.354 -9.432 -1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.622 -8.445 -1.241 1.00 0.00 H new ATOM 278 N LEU A 145 50.212 -4.544 1.815 1.00 0.00 N ATOM 279 CA LEU A 145 50.676 -3.443 2.654 1.00 0.00 C ATOM 280 C LEU A 145 49.520 -2.739 3.370 1.00 0.00 C ATOM 281 O LEU A 145 49.743 -2.042 4.357 1.00 0.00 O ATOM 282 CB LEU A 145 51.497 -2.461 1.818 1.00 0.00 C ATOM 283 CG LEU A 145 52.701 -3.207 1.232 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.401 -2.326 0.195 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.683 -3.563 2.357 1.00 0.00 C ATOM 0 H LEU A 145 50.371 -4.405 0.817 1.00 0.00 H new ATOM 0 HA LEU A 145 51.315 -3.858 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.886 -2.041 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.832 -1.627 2.435 1.00 0.00 H new ATOM 0 HG LEU A 145 52.358 -4.122 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.256 -2.860 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.703 -2.082 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.743 -1.407 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.539 -4.093 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 145 54.025 -2.650 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.184 -4.199 3.088 1.00 0.00 H new ATOM 297 N LYS A 146 48.313 -2.798 2.801 1.00 0.00 N ATOM 298 CA LYS A 146 47.142 -2.231 3.473 1.00 0.00 C ATOM 299 C LYS A 146 46.874 -2.935 4.810 1.00 0.00 C ATOM 300 O LYS A 146 46.665 -2.283 5.834 1.00 0.00 O ATOM 301 CB LYS A 146 45.890 -2.355 2.596 1.00 0.00 C ATOM 302 CG LYS A 146 46.053 -1.513 1.330 1.00 0.00 C ATOM 303 CD LYS A 146 44.717 -1.441 0.588 1.00 0.00 C ATOM 304 CE LYS A 146 43.756 -0.526 1.351 1.00 0.00 C ATOM 305 NZ LYS A 146 42.620 -0.147 0.465 1.00 0.00 N ATOM 0 H LYS A 146 48.123 -3.224 1.894 1.00 0.00 H new ATOM 0 HA LYS A 146 47.359 -1.178 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.724 -3.399 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 146 45.012 -2.025 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.391 -0.510 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.816 -1.950 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.870 -1.063 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.288 -2.438 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.383 -1.034 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.280 0.368 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.967 0.475 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.984 0.353 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.115 -1.004 0.163 1.00 0.00 H new ATOM 319 N LYS A 147 46.837 -4.271 4.785 1.00 0.00 N ATOM 320 CA LYS A 147 46.274 -5.015 5.918 1.00 0.00 C ATOM 321 C LYS A 147 47.257 -5.257 7.081 1.00 0.00 C ATOM 322 O LYS A 147 46.886 -5.046 8.238 1.00 0.00 O ATOM 323 CB LYS A 147 45.751 -6.365 5.426 1.00 0.00 C ATOM 324 CG LYS A 147 44.573 -6.140 4.476 1.00 0.00 C ATOM 325 CD LYS A 147 43.977 -7.490 4.073 1.00 0.00 C ATOM 326 CE LYS A 147 42.877 -7.273 3.032 1.00 0.00 C ATOM 327 NZ LYS A 147 42.389 -8.594 2.543 1.00 0.00 N ATOM 0 H LYS A 147 47.180 -4.847 4.016 1.00 0.00 H new ATOM 0 HA LYS A 147 45.476 -4.389 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.545 -6.910 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.438 -6.976 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.814 -5.525 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.905 -5.598 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.755 -8.136 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.569 -7.995 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 147 42.054 -6.708 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 147 43.261 -6.684 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.641 -8.448 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 43.177 -9.117 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 42.008 -9.140 3.341 1.00 0.00 H new ATOM 341 N ASN A 148 48.499 -5.683 6.797 1.00 0.00 N ATOM 342 CA ASN A 148 49.351 -6.190 7.893 1.00 0.00 C ATOM 343 C ASN A 148 50.411 -5.197 8.414 1.00 0.00 C ATOM 344 O ASN A 148 50.914 -5.385 9.525 1.00 0.00 O ATOM 345 CB ASN A 148 50.065 -7.455 7.398 1.00 0.00 C ATOM 346 CG ASN A 148 50.785 -8.153 8.550 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.168 -8.898 9.311 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.061 -7.952 8.720 1.00 0.00 N ATOM 0 H ASN A 148 48.922 -5.690 5.869 1.00 0.00 H new ATOM 0 HA ASN A 148 48.684 -6.378 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.341 -8.135 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.782 -7.193 6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.552 -8.413 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.569 -7.334 8.087 1.00 0.00 H new ATOM 355 N PRO A 149 50.768 -4.170 7.678 1.00 0.00 N ATOM 356 CA PRO A 149 51.771 -3.185 8.166 1.00 0.00 C ATOM 357 C PRO A 149 51.170 -1.821 8.497 1.00 0.00 C ATOM 358 O PRO A 149 50.223 -1.373 7.851 1.00 0.00 O ATOM 359 CB PRO A 149 52.745 -3.085 6.997 1.00 0.00 C ATOM 360 CG PRO A 149 51.924 -3.345 5.776 1.00 0.00 C ATOM 361 CD PRO A 149 50.623 -4.035 6.225 1.00 0.00 C ATOM 0 HA PRO A 149 52.229 -3.502 9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.210 -2.100 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.550 -3.814 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.703 -2.412 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.470 -3.977 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.747 -3.440 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.502 -5.006 5.745 1.00 0.00 H new ATOM 369 N LYS A 150 51.782 -1.136 9.467 1.00 0.00 N ATOM 370 CA LYS A 150 51.379 0.234 9.818 1.00 0.00 C ATOM 371 C LYS A 150 51.508 1.174 8.608 1.00 0.00 C ATOM 372 O LYS A 150 50.879 2.231 8.567 1.00 0.00 O ATOM 373 CB LYS A 150 52.245 0.779 10.964 1.00 0.00 C ATOM 374 CG LYS A 150 52.328 -0.240 12.106 1.00 0.00 C ATOM 375 CD LYS A 150 52.976 0.412 13.330 1.00 0.00 C ATOM 376 CE LYS A 150 54.467 0.634 13.065 1.00 0.00 C ATOM 377 NZ LYS A 150 55.126 1.116 14.312 1.00 0.00 N ATOM 0 H LYS A 150 52.555 -1.503 10.022 1.00 0.00 H new ATOM 0 HA LYS A 150 50.337 0.195 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.246 1.004 10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.824 1.714 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.331 -0.600 12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.910 -1.107 11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.490 1.363 13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.843 -0.223 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 150 54.930 -0.295 12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.601 1.362 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.139 1.267 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 54.690 2.011 14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.009 0.406 15.063 1.00 0.00 H new ATOM 391 N THR A 151 52.290 0.760 7.606 1.00 0.00 N ATOM 392 CA THR A 151 52.515 1.570 6.405 1.00 0.00 C ATOM 393 C THR A 151 51.187 1.909 5.697 1.00 0.00 C ATOM 394 O THR A 151 51.075 2.913 4.977 1.00 0.00 O ATOM 395 CB THR A 151 53.426 0.789 5.448 1.00 0.00 C ATOM 396 OG1 THR A 151 52.775 -0.410 5.054 1.00 0.00 O ATOM 397 CG2 THR A 151 54.746 0.446 6.143 1.00 0.00 C ATOM 0 H THR A 151 52.779 -0.135 7.603 1.00 0.00 H new ATOM 0 HA THR A 151 52.984 2.509 6.699 1.00 0.00 H new ATOM 0 HB THR A 151 53.634 1.402 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.439 -1.048 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.386 -0.108 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.248 1.365 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.546 -0.164 7.024 1.00 0.00 H new ATOM 405 N SER A 152 50.152 1.119 5.975 1.00 0.00 N ATOM 406 CA SER A 152 48.859 1.298 5.319 1.00 0.00 C ATOM 407 C SER A 152 48.229 2.658 5.627 1.00 0.00 C ATOM 408 O SER A 152 47.315 3.093 4.916 1.00 0.00 O ATOM 409 CB SER A 152 47.916 0.196 5.778 1.00 0.00 C ATOM 410 OG SER A 152 48.098 -0.033 7.167 1.00 0.00 O ATOM 0 H SER A 152 50.183 0.352 6.647 1.00 0.00 H new ATOM 0 HA SER A 152 49.025 1.251 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.883 0.480 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.110 -0.719 5.219 1.00 0.00 H new ATOM 0 HG SER A 152 48.700 -0.796 7.297 1.00 0.00 H new ATOM 416 N GLU A 153 48.745 3.364 6.636 1.00 0.00 N ATOM 417 CA GLU A 153 48.241 4.698 6.947 1.00 0.00 C ATOM 418 C GLU A 153 48.361 5.606 5.724 1.00 0.00 C ATOM 419 O GLU A 153 47.359 6.154 5.250 1.00 0.00 O ATOM 420 CB GLU A 153 49.030 5.291 8.116 1.00 0.00 C ATOM 421 CG GLU A 153 48.582 4.628 9.421 1.00 0.00 C ATOM 422 CD GLU A 153 49.185 5.355 10.621 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.336 5.751 10.538 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.484 5.504 11.608 1.00 0.00 O ATOM 0 H GLU A 153 49.499 3.039 7.241 1.00 0.00 H new ATOM 0 HA GLU A 153 47.190 4.622 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.098 5.135 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.869 6.368 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.494 4.641 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.889 3.582 9.429 1.00 0.00 H new ATOM 431 N MET A 154 49.537 5.592 5.092 1.00 0.00 N ATOM 432 CA MET A 154 49.783 6.492 3.971 1.00 0.00 C ATOM 433 C MET A 154 48.891 6.135 2.795 1.00 0.00 C ATOM 434 O MET A 154 48.589 6.992 1.962 1.00 0.00 O ATOM 435 CB MET A 154 51.230 6.432 3.497 1.00 0.00 C ATOM 436 CG MET A 154 52.168 6.857 4.622 1.00 0.00 C ATOM 437 SD MET A 154 53.856 6.994 3.978 1.00 0.00 S ATOM 438 CE MET A 154 54.030 5.289 3.392 1.00 0.00 C ATOM 0 H MET A 154 50.317 4.980 5.333 1.00 0.00 H new ATOM 0 HA MET A 154 49.565 7.498 4.329 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.473 5.420 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.366 7.084 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.847 7.812 5.037 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.134 6.130 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.087 5.048 3.284 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.574 4.609 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.533 5.183 2.428 1.00 0.00 H new ATOM 448 N MET A 155 48.528 4.852 2.667 1.00 0.00 N ATOM 449 CA MET A 155 47.734 4.412 1.521 1.00 0.00 C ATOM 450 C MET A 155 46.327 5.013 1.557 1.00 0.00 C ATOM 451 O MET A 155 45.794 5.423 0.525 1.00 0.00 O ATOM 452 CB MET A 155 47.622 2.880 1.518 1.00 0.00 C ATOM 453 CG MET A 155 49.021 2.249 1.508 1.00 0.00 C ATOM 454 SD MET A 155 49.851 2.603 -0.064 1.00 0.00 S ATOM 455 CE MET A 155 51.537 2.235 0.482 1.00 0.00 C ATOM 0 H MET A 155 48.768 4.116 3.331 1.00 0.00 H new ATOM 0 HA MET A 155 48.238 4.753 0.617 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.070 2.546 2.397 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.060 2.550 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.611 2.641 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.944 1.171 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.229 2.390 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.804 2.895 1.307 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.594 1.198 0.814 1.00 0.00 H new ATOM 465 N LYS A 156 45.730 5.061 2.751 1.00 0.00 N ATOM 466 CA LYS A 156 44.301 5.341 2.867 1.00 0.00 C ATOM 467 C LYS A 156 44.001 6.843 2.939 1.00 0.00 C ATOM 468 O LYS A 156 42.863 7.257 2.711 1.00 0.00 O ATOM 469 CB LYS A 156 43.768 4.668 4.131 1.00 0.00 C ATOM 470 CG LYS A 156 43.859 3.149 3.977 1.00 0.00 C ATOM 471 CD LYS A 156 43.223 2.473 5.195 1.00 0.00 C ATOM 472 CE LYS A 156 43.432 0.960 5.106 1.00 0.00 C ATOM 473 NZ LYS A 156 43.155 0.342 6.433 1.00 0.00 N ATOM 0 H LYS A 156 46.209 4.911 3.639 1.00 0.00 H new ATOM 0 HA LYS A 156 43.813 4.951 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.344 4.991 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.734 4.965 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.350 2.834 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.901 2.844 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.668 2.859 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.158 2.702 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.772 0.535 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.454 0.741 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 43.297 -0.687 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 43.802 0.740 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 42.172 0.540 6.710 1.00 0.00 H new ATOM 487 N ASP A 157 45.016 7.652 3.254 1.00 0.00 N ATOM 488 CA ASP A 157 44.823 9.105 3.311 1.00 0.00 C ATOM 489 C ASP A 157 45.697 9.844 2.282 1.00 0.00 C ATOM 490 O ASP A 157 45.203 10.244 1.228 1.00 0.00 O ATOM 491 CB ASP A 157 45.096 9.615 4.736 1.00 0.00 C ATOM 492 CG ASP A 157 43.788 9.781 5.504 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.162 10.817 5.351 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.432 8.871 6.234 1.00 0.00 O ATOM 0 H ASP A 157 45.961 7.335 3.470 1.00 0.00 H new ATOM 0 HA ASP A 157 43.786 9.316 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.746 8.915 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.623 10.568 4.693 1.00 0.00 H new ATOM 499 N PRO A 158 46.971 10.026 2.553 1.00 0.00 N ATOM 500 CA PRO A 158 47.784 11.082 1.865 1.00 0.00 C ATOM 501 C PRO A 158 47.952 10.860 0.360 1.00 0.00 C ATOM 502 O PRO A 158 47.973 9.728 -0.123 1.00 0.00 O ATOM 503 CB PRO A 158 49.143 11.031 2.573 1.00 0.00 C ATOM 504 CG PRO A 158 49.218 9.671 3.166 1.00 0.00 C ATOM 505 CD PRO A 158 47.788 9.305 3.545 1.00 0.00 C ATOM 0 HA PRO A 158 47.286 12.049 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.960 11.201 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.217 11.801 3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.629 8.956 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.869 9.661 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.623 8.229 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.551 9.616 4.562 1.00 0.00 H new ATOM 513 N GLN A 159 48.219 11.961 -0.347 1.00 0.00 N ATOM 514 CA GLN A 159 48.521 11.919 -1.782 1.00 0.00 C ATOM 515 C GLN A 159 49.765 11.066 -2.077 1.00 0.00 C ATOM 516 O GLN A 159 49.967 10.624 -3.214 1.00 0.00 O ATOM 517 CB GLN A 159 48.739 13.336 -2.315 1.00 0.00 C ATOM 518 CG GLN A 159 47.386 14.013 -2.553 1.00 0.00 C ATOM 519 CD GLN A 159 46.679 13.369 -3.743 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.288 13.172 -4.795 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.425 13.027 -3.638 1.00 0.00 N ATOM 0 H GLN A 159 48.232 12.899 0.053 1.00 0.00 H new ATOM 0 HA GLN A 159 47.668 11.461 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.326 13.916 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.308 13.302 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.765 13.926 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.531 15.077 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.923 13.191 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.946 12.595 -4.428 1.00 0.00 H new ATOM 530 N LEU A 160 50.569 10.799 -1.042 1.00 0.00 N ATOM 531 CA LEU A 160 51.878 10.178 -1.237 1.00 0.00 C ATOM 532 C LEU A 160 51.746 8.851 -1.996 1.00 0.00 C ATOM 533 O LEU A 160 52.691 8.414 -2.649 1.00 0.00 O ATOM 534 CB LEU A 160 52.541 9.925 0.120 1.00 0.00 C ATOM 535 CG LEU A 160 54.022 9.594 -0.080 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.773 10.847 -0.538 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.616 9.102 1.242 1.00 0.00 C ATOM 0 H LEU A 160 50.337 11.002 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 160 52.494 10.857 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.438 10.805 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.041 9.103 0.632 1.00 0.00 H new ATOM 0 HG LEU A 160 54.119 8.817 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.827 10.608 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.351 11.200 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.676 11.626 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.671 8.866 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.516 9.881 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.085 8.208 1.569 1.00 0.00 H new ATOM 549 N VAL A 161 50.563 8.224 -1.924 1.00 0.00 N ATOM 550 CA VAL A 161 50.311 6.966 -2.634 1.00 0.00 C ATOM 551 C VAL A 161 50.555 7.135 -4.133 1.00 0.00 C ATOM 552 O VAL A 161 51.398 6.455 -4.714 1.00 0.00 O ATOM 553 CB VAL A 161 48.859 6.506 -2.422 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.708 5.057 -2.897 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.478 6.588 -0.939 1.00 0.00 C ATOM 0 H VAL A 161 49.770 8.568 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 161 50.995 6.218 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 161 48.201 7.160 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.679 4.730 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.958 4.993 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.379 4.415 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.447 6.258 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.140 5.946 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.576 7.618 -0.595 1.00 0.00 H new ATOM 565 N ALA A 162 49.863 8.104 -4.740 1.00 0.00 N ATOM 566 CA ALA A 162 49.939 8.301 -6.188 1.00 0.00 C ATOM 567 C ALA A 162 51.378 8.600 -6.593 1.00 0.00 C ATOM 568 O ALA A 162 51.967 7.903 -7.422 1.00 0.00 O ATOM 569 CB ALA A 162 49.047 9.476 -6.598 1.00 0.00 C ATOM 0 H ALA A 162 49.249 8.758 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 162 49.600 7.393 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.107 9.619 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.015 9.265 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.383 10.382 -6.093 1.00 0.00 H new ATOM 575 N LYS A 163 51.985 9.536 -5.859 1.00 0.00 N ATOM 576 CA LYS A 163 53.358 9.956 -6.142 1.00 0.00 C ATOM 577 C LYS A 163 54.295 8.747 -6.153 1.00 0.00 C ATOM 578 O LYS A 163 54.922 8.448 -7.172 1.00 0.00 O ATOM 579 CB LYS A 163 53.828 10.958 -5.083 1.00 0.00 C ATOM 580 CG LYS A 163 52.936 12.203 -5.115 1.00 0.00 C ATOM 581 CD LYS A 163 53.200 12.993 -6.400 1.00 0.00 C ATOM 582 CE LYS A 163 52.435 14.317 -6.351 1.00 0.00 C ATOM 583 NZ LYS A 163 53.008 15.259 -7.352 1.00 0.00 N ATOM 0 H LYS A 163 51.550 10.014 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 163 53.379 10.429 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.793 10.500 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.865 11.238 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.887 11.912 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.136 12.828 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.268 13.182 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.887 12.412 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.379 14.147 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.498 14.749 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.488 16.159 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 54.010 15.430 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.926 14.847 -8.303 1.00 0.00 H new ATOM 597 N LEU A 164 54.226 7.947 -5.088 1.00 0.00 N ATOM 598 CA LEU A 164 55.083 6.773 -4.949 1.00 0.00 C ATOM 599 C LEU A 164 54.866 5.780 -6.091 1.00 0.00 C ATOM 600 O LEU A 164 55.817 5.200 -6.596 1.00 0.00 O ATOM 601 CB LEU A 164 54.789 6.077 -3.618 1.00 0.00 C ATOM 602 CG LEU A 164 55.295 6.941 -2.460 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.782 6.369 -1.138 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.826 6.941 -2.450 1.00 0.00 C ATOM 0 H LEU A 164 53.584 8.093 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 164 56.119 7.111 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.717 5.906 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.272 5.100 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 164 54.932 7.961 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.141 6.983 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.692 6.367 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.147 5.349 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.184 7.557 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.189 5.921 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.196 7.346 -3.392 1.00 0.00 H new ATOM 616 N ILE A 165 53.616 5.633 -6.529 1.00 0.00 N ATOM 617 CA ILE A 165 53.271 4.595 -7.501 1.00 0.00 C ATOM 618 C ILE A 165 54.028 4.819 -8.815 1.00 0.00 C ATOM 619 O ILE A 165 54.548 3.869 -9.407 1.00 0.00 O ATOM 620 CB ILE A 165 51.743 4.560 -7.711 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.114 3.919 -6.468 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.377 3.721 -8.947 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.594 4.078 -6.499 1.00 0.00 C ATOM 0 H ILE A 165 52.832 6.213 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 165 53.576 3.622 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 165 51.374 5.574 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.375 2.862 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.517 4.384 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.294 3.712 -9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.842 4.155 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.735 2.700 -8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.162 3.618 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.339 5.138 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.195 3.592 -7.389 1.00 0.00 H new ATOM 635 N GLY A 166 54.182 6.082 -9.211 1.00 0.00 N ATOM 636 CA GLY A 166 54.989 6.393 -10.386 1.00 0.00 C ATOM 637 C GLY A 166 56.459 6.170 -10.058 1.00 0.00 C ATOM 638 O GLY A 166 57.178 5.463 -10.772 1.00 0.00 O ATOM 0 H GLY A 166 53.768 6.890 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.691 5.762 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.825 7.426 -10.691 1.00 0.00 H new ATOM 642 N TYR A 167 56.878 6.761 -8.942 1.00 0.00 N ATOM 643 CA TYR A 167 58.230 6.580 -8.413 1.00 0.00 C ATOM 644 C TYR A 167 58.523 5.112 -8.069 1.00 0.00 C ATOM 645 O TYR A 167 59.676 4.738 -7.877 1.00 0.00 O ATOM 646 CB TYR A 167 58.377 7.477 -7.175 1.00 0.00 C ATOM 647 CG TYR A 167 59.750 7.539 -6.556 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.805 8.188 -7.241 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.963 7.013 -5.261 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.078 8.300 -6.636 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.236 7.118 -4.654 1.00 0.00 C ATOM 652 CZ TYR A 167 62.298 7.762 -5.343 1.00 0.00 C ATOM 653 OH TYR A 167 63.544 7.868 -4.753 1.00 0.00 O ATOM 0 H TYR A 167 56.293 7.378 -8.379 1.00 0.00 H new ATOM 0 HA TYR A 167 58.957 6.863 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.079 8.489 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.675 7.131 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.638 8.598 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.153 6.530 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.883 8.795 -7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.400 6.709 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 167 63.763 8.814 -4.619 1.00 0.00 H new ATOM 663 N LYS A 168 57.472 4.307 -7.939 1.00 0.00 N ATOM 664 CA LYS A 168 57.626 2.874 -7.682 1.00 0.00 C ATOM 665 C LYS A 168 58.020 2.105 -8.947 1.00 0.00 C ATOM 666 O LYS A 168 58.944 1.293 -8.926 1.00 0.00 O ATOM 667 CB LYS A 168 56.310 2.323 -7.123 1.00 0.00 C ATOM 668 CG LYS A 168 56.285 2.504 -5.595 1.00 0.00 C ATOM 669 CD LYS A 168 54.885 2.203 -5.027 1.00 0.00 C ATOM 670 CE LYS A 168 54.356 0.859 -5.543 1.00 0.00 C ATOM 671 NZ LYS A 168 53.610 0.164 -4.454 1.00 0.00 N ATOM 0 H LYS A 168 56.504 4.620 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 168 58.430 2.741 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.465 2.842 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.208 1.268 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.018 1.842 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.573 3.524 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.927 2.187 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.196 3.000 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.703 1.019 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.184 0.238 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.753 -0.277 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 54.215 -0.570 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.341 0.853 -3.723 1.00 0.00 H new ATOM 685 N GLN A 169 57.314 2.374 -10.045 1.00 0.00 N ATOM 686 CA GLN A 169 57.415 1.526 -11.235 1.00 0.00 C ATOM 687 C GLN A 169 58.740 1.726 -11.987 1.00 0.00 C ATOM 688 O GLN A 169 59.428 0.756 -12.309 1.00 0.00 O ATOM 689 CB GLN A 169 56.251 1.824 -12.181 1.00 0.00 C ATOM 690 CG GLN A 169 54.939 1.385 -11.529 1.00 0.00 C ATOM 691 CD GLN A 169 53.771 1.665 -12.470 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.289 2.795 -12.543 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.285 0.696 -13.197 1.00 0.00 N ATOM 0 H GLN A 169 56.673 3.162 -10.137 1.00 0.00 H new ATOM 0 HA GLN A 169 57.378 0.491 -10.896 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.217 2.889 -12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.393 1.300 -13.126 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.979 0.322 -11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.795 1.917 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.687 -0.239 -13.134 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.504 0.874 -13.828 1.00 0.00 H new ATOM 702 N ASN A 170 59.089 2.986 -12.258 1.00 0.00 N ATOM 703 CA ASN A 170 60.179 3.282 -13.208 1.00 0.00 C ATOM 704 C ASN A 170 61.538 3.582 -12.538 1.00 0.00 C ATOM 705 O ASN A 170 62.573 3.136 -13.039 1.00 0.00 O ATOM 706 CB ASN A 170 59.780 4.477 -14.074 1.00 0.00 C ATOM 707 CG ASN A 170 60.634 4.513 -15.337 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.204 4.045 -16.391 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.826 5.043 -15.294 1.00 0.00 N ATOM 0 H ASN A 170 58.646 3.807 -11.846 1.00 0.00 H new ATOM 0 HA ASN A 170 60.318 2.379 -13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.725 4.408 -14.340 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.907 5.402 -13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 170 62.403 5.070 -16.135 1.00 0.00 H new ATOM 0 HD22 ASN A 170 62.181 5.430 -14.420 1.00 0.00 H new ATOM 716 N PRO A 171 61.570 4.299 -11.434 1.00 0.00 N ATOM 717 CA PRO A 171 62.833 4.915 -10.933 1.00 0.00 C ATOM 718 C PRO A 171 63.493 4.153 -9.784 1.00 0.00 C ATOM 719 O PRO A 171 63.146 4.338 -8.618 1.00 0.00 O ATOM 720 CB PRO A 171 62.415 6.312 -10.500 1.00 0.00 C ATOM 721 CG PRO A 171 60.990 6.193 -10.102 1.00 0.00 C ATOM 722 CD PRO A 171 60.424 4.916 -10.745 1.00 0.00 C ATOM 0 HA PRO A 171 63.598 4.907 -11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.026 6.665 -9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.537 7.028 -11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.900 6.146 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.428 7.067 -10.431 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.008 4.246 -9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.621 5.148 -11.444 1.00 0.00 H new ATOM 730 N GLN A 172 64.484 3.322 -10.121 1.00 0.00 N ATOM 731 CA GLN A 172 65.297 2.611 -9.108 1.00 0.00 C ATOM 732 C GLN A 172 65.781 3.534 -7.959 1.00 0.00 C ATOM 733 O GLN A 172 66.189 3.050 -6.900 1.00 0.00 O ATOM 734 CB GLN A 172 66.513 1.968 -9.779 1.00 0.00 C ATOM 735 CG GLN A 172 66.047 0.943 -10.818 1.00 0.00 C ATOM 736 CD GLN A 172 65.432 -0.267 -10.124 1.00 0.00 C ATOM 737 OE1 GLN A 172 66.011 -0.803 -9.179 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.286 -0.733 -10.539 1.00 0.00 N ATOM 0 H GLN A 172 64.749 3.120 -11.085 1.00 0.00 H new ATOM 0 HA GLN A 172 64.651 1.852 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.124 2.734 -10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.139 1.483 -9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.316 1.398 -11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.890 0.629 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.808 -0.288 -11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.868 -1.543 -10.080 1.00 0.00 H new ATOM 747 N ALA A 173 65.660 4.855 -8.143 1.00 0.00 N ATOM 748 CA ALA A 173 66.176 5.825 -7.180 1.00 0.00 C ATOM 749 C ALA A 173 65.538 5.665 -5.786 1.00 0.00 C ATOM 750 O ALA A 173 66.019 6.258 -4.821 1.00 0.00 O ATOM 751 CB ALA A 173 65.879 7.234 -7.691 1.00 0.00 C ATOM 0 H ALA A 173 65.206 5.274 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 173 67.248 5.653 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.260 7.967 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.363 7.380 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.802 7.361 -7.802 1.00 0.00 H new ATOM 757 N ILE A 174 64.485 4.835 -5.664 1.00 0.00 N ATOM 758 CA ILE A 174 63.726 4.751 -4.408 1.00 0.00 C ATOM 759 C ILE A 174 64.639 4.357 -3.243 1.00 0.00 C ATOM 760 O ILE A 174 64.385 4.729 -2.096 1.00 0.00 O ATOM 761 CB ILE A 174 62.594 3.720 -4.525 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.752 4.023 -5.784 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.719 3.788 -3.263 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.509 3.132 -5.849 1.00 0.00 C ATOM 0 H ILE A 174 64.147 4.224 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 174 63.302 5.736 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 174 63.009 2.716 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.451 5.071 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.359 3.869 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.913 3.058 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.327 3.566 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.295 4.788 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.938 3.370 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.813 2.086 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.891 3.306 -4.968 1.00 0.00 H new ATOM 776 N GLY A 175 65.711 3.617 -3.548 1.00 0.00 N ATOM 777 CA GLY A 175 66.606 3.101 -2.511 1.00 0.00 C ATOM 778 C GLY A 175 67.151 4.229 -1.627 1.00 0.00 C ATOM 779 O GLY A 175 67.465 4.011 -0.456 1.00 0.00 O ATOM 0 H GLY A 175 65.977 3.364 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.071 2.379 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.436 2.569 -2.977 1.00 0.00 H new ATOM 783 N GLN A 176 67.258 5.431 -2.198 1.00 0.00 N ATOM 784 CA GLN A 176 67.782 6.579 -1.467 1.00 0.00 C ATOM 785 C GLN A 176 66.679 7.302 -0.698 1.00 0.00 C ATOM 786 O GLN A 176 66.925 7.865 0.370 1.00 0.00 O ATOM 787 CB GLN A 176 68.443 7.554 -2.443 1.00 0.00 C ATOM 788 CG GLN A 176 69.627 6.869 -3.129 1.00 0.00 C ATOM 789 CD GLN A 176 70.286 7.826 -4.118 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.605 8.632 -4.753 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.579 7.785 -4.287 1.00 0.00 N ATOM 0 H GLN A 176 66.989 5.631 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 176 68.516 6.213 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.720 7.885 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.782 8.443 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.354 6.548 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.287 5.973 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.141 7.117 -3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.028 8.421 -4.946 1.00 0.00 H new ATOM 800 N ASP A 177 65.464 7.278 -1.247 1.00 0.00 N ATOM 801 CA ASP A 177 64.369 8.042 -0.666 1.00 0.00 C ATOM 802 C ASP A 177 63.839 7.378 0.600 1.00 0.00 C ATOM 803 O ASP A 177 63.172 8.033 1.399 1.00 0.00 O ATOM 804 CB ASP A 177 63.228 8.245 -1.677 1.00 0.00 C ATOM 805 CG ASP A 177 63.431 9.537 -2.484 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.306 10.317 -2.135 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.679 9.748 -3.421 1.00 0.00 O ATOM 0 H ASP A 177 65.219 6.745 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 177 64.768 9.021 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.182 7.392 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.274 8.287 -1.151 1.00 0.00 H new ATOM 812 N LEU A 178 64.108 6.076 0.786 1.00 0.00 N ATOM 813 CA LEU A 178 63.726 5.412 2.040 1.00 0.00 C ATOM 814 C LEU A 178 64.323 6.177 3.233 1.00 0.00 C ATOM 815 O LEU A 178 63.646 6.451 4.223 1.00 0.00 O ATOM 816 CB LEU A 178 64.239 3.958 2.089 1.00 0.00 C ATOM 817 CG LEU A 178 63.942 3.170 0.801 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.706 1.848 0.864 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.446 2.856 0.694 1.00 0.00 C ATOM 0 H LEU A 178 64.575 5.477 0.105 1.00 0.00 H new ATOM 0 HA LEU A 178 62.637 5.404 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.315 3.964 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.781 3.446 2.935 1.00 0.00 H new ATOM 0 HG LEU A 178 64.244 3.765 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.510 1.271 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.774 2.049 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.379 1.280 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.256 2.299 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.137 2.259 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.879 3.787 0.677 1.00 0.00 H new ATOM 831 N PHE A 179 65.611 6.509 3.106 1.00 0.00 N ATOM 832 CA PHE A 179 66.316 7.315 4.105 1.00 0.00 C ATOM 833 C PHE A 179 65.551 8.605 4.439 1.00 0.00 C ATOM 834 O PHE A 179 65.582 9.076 5.577 1.00 0.00 O ATOM 835 CB PHE A 179 67.707 7.669 3.581 1.00 0.00 C ATOM 836 CG PHE A 179 68.678 6.513 3.625 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.382 6.225 4.819 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.886 5.718 2.471 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.292 5.141 4.862 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.796 4.634 2.513 1.00 0.00 C ATOM 841 CZ PHE A 179 70.499 4.345 3.708 1.00 0.00 C ATOM 0 H PHE A 179 66.190 6.229 2.314 1.00 0.00 H new ATOM 0 HA PHE A 179 66.394 6.726 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.621 8.022 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.109 8.494 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.225 6.833 5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.351 5.939 1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.828 4.921 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.954 4.027 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.193 3.518 3.740 1.00 0.00 H new ATOM 851 N THR A 180 64.872 9.163 3.439 1.00 0.00 N ATOM 852 CA THR A 180 64.092 10.392 3.634 1.00 0.00 C ATOM 853 C THR A 180 62.647 10.073 4.050 1.00 0.00 C ATOM 854 O THR A 180 61.989 10.883 4.705 1.00 0.00 O ATOM 855 CB THR A 180 64.080 11.225 2.345 1.00 0.00 C ATOM 856 OG1 THR A 180 63.302 10.561 1.361 1.00 0.00 O ATOM 857 CG2 THR A 180 65.510 11.410 1.829 1.00 0.00 C ATOM 0 H THR A 180 64.843 8.790 2.490 1.00 0.00 H new ATOM 0 HA THR A 180 64.566 10.963 4.433 1.00 0.00 H new ATOM 0 HB THR A 180 63.647 12.203 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.376 9.592 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.493 12.002 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.105 11.925 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.951 10.435 1.622 1.00 0.00 H new ATOM 865 N ASP A 181 62.169 8.887 3.664 1.00 0.00 N ATOM 866 CA ASP A 181 60.790 8.491 3.941 1.00 0.00 C ATOM 867 C ASP A 181 60.745 7.403 5.022 1.00 0.00 C ATOM 868 O ASP A 181 61.179 6.276 4.779 1.00 0.00 O ATOM 869 CB ASP A 181 60.127 7.970 2.663 1.00 0.00 C ATOM 870 CG ASP A 181 58.619 8.243 2.680 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.107 8.637 3.717 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.997 8.056 1.647 1.00 0.00 O ATOM 0 H ASP A 181 62.716 8.188 3.161 1.00 0.00 H new ATOM 0 HA ASP A 181 60.249 9.366 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.578 8.448 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.306 6.899 2.566 1.00 0.00 H new ATOM 877 N PRO A 182 60.198 7.695 6.188 1.00 0.00 N ATOM 878 CA PRO A 182 60.213 6.718 7.323 1.00 0.00 C ATOM 879 C PRO A 182 59.401 5.457 7.019 1.00 0.00 C ATOM 880 O PRO A 182 59.920 4.344 7.113 1.00 0.00 O ATOM 881 CB PRO A 182 59.604 7.492 8.498 1.00 0.00 C ATOM 882 CG PRO A 182 58.804 8.586 7.881 1.00 0.00 C ATOM 883 CD PRO A 182 59.500 8.940 6.570 1.00 0.00 C ATOM 0 HA PRO A 182 61.222 6.360 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.977 6.845 9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.381 7.893 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.778 8.264 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.755 9.452 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.783 9.246 5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.199 9.766 6.700 1.00 0.00 H new ATOM 891 N ARG A 183 58.131 5.640 6.653 1.00 0.00 N ATOM 892 CA ARG A 183 57.219 4.504 6.501 1.00 0.00 C ATOM 893 C ARG A 183 57.644 3.575 5.365 1.00 0.00 C ATOM 894 O ARG A 183 57.537 2.359 5.501 1.00 0.00 O ATOM 895 CB ARG A 183 55.785 4.981 6.260 1.00 0.00 C ATOM 896 CG ARG A 183 55.340 5.871 7.424 1.00 0.00 C ATOM 897 CD ARG A 183 53.853 6.198 7.279 1.00 0.00 C ATOM 898 NE ARG A 183 53.238 6.397 8.592 1.00 0.00 N ATOM 899 CZ ARG A 183 53.489 7.473 9.350 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.324 8.406 8.960 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.881 7.596 10.498 1.00 0.00 N ATOM 0 H ARG A 183 57.714 6.551 6.459 1.00 0.00 H new ATOM 0 HA ARG A 183 57.261 3.943 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.727 5.534 5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.117 4.125 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.521 5.365 8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.926 6.790 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.730 7.096 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.347 5.388 6.753 1.00 0.00 H new ATOM 0 HE ARG A 183 52.593 5.689 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.799 8.322 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.498 9.216 9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.225 6.879 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.062 8.409 11.086 1.00 0.00 H new ATOM 915 N LEU A 184 58.180 4.136 4.269 1.00 0.00 N ATOM 916 CA LEU A 184 58.590 3.313 3.114 1.00 0.00 C ATOM 917 C LEU A 184 59.490 2.159 3.567 1.00 0.00 C ATOM 918 O LEU A 184 59.388 1.039 3.061 1.00 0.00 O ATOM 919 CB LEU A 184 59.341 4.164 2.073 1.00 0.00 C ATOM 920 CG LEU A 184 58.345 4.823 1.107 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.080 5.847 0.232 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.707 3.757 0.204 1.00 0.00 C ATOM 0 H LEU A 184 58.339 5.137 4.156 1.00 0.00 H new ATOM 0 HA LEU A 184 57.686 2.909 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.931 4.930 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.039 3.538 1.516 1.00 0.00 H new ATOM 0 HG LEU A 184 57.567 5.321 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.373 6.314 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.530 6.611 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.860 5.344 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.002 4.232 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.485 3.254 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.181 3.027 0.819 1.00 0.00 H new ATOM 934 N MET A 185 60.319 2.426 4.575 1.00 0.00 N ATOM 935 CA MET A 185 61.200 1.398 5.115 1.00 0.00 C ATOM 936 C MET A 185 60.395 0.295 5.809 1.00 0.00 C ATOM 937 O MET A 185 60.609 -0.883 5.548 1.00 0.00 O ATOM 938 CB MET A 185 62.196 2.016 6.092 1.00 0.00 C ATOM 939 CG MET A 185 63.218 2.842 5.314 1.00 0.00 C ATOM 940 SD MET A 185 64.522 3.403 6.436 1.00 0.00 S ATOM 941 CE MET A 185 65.778 3.719 5.173 1.00 0.00 C ATOM 0 H MET A 185 60.397 3.336 5.029 1.00 0.00 H new ATOM 0 HA MET A 185 61.748 0.950 4.286 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.674 2.646 6.812 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.700 1.234 6.660 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.648 2.245 4.510 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.730 3.699 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.768 3.541 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.617 3.053 4.325 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.706 4.754 4.839 1.00 0.00 H new ATOM 951 N THR A 186 59.380 0.677 6.586 1.00 0.00 N ATOM 952 CA THR A 186 58.558 -0.304 7.310 1.00 0.00 C ATOM 953 C THR A 186 57.893 -1.272 6.319 1.00 0.00 C ATOM 954 O THR A 186 57.784 -2.473 6.576 1.00 0.00 O ATOM 955 CB THR A 186 57.490 0.428 8.140 1.00 0.00 C ATOM 956 OG1 THR A 186 58.127 1.370 8.992 1.00 0.00 O ATOM 957 CG2 THR A 186 56.694 -0.569 8.991 1.00 0.00 C ATOM 0 H THR A 186 59.106 1.649 6.732 1.00 0.00 H new ATOM 0 HA THR A 186 59.196 -0.880 7.981 1.00 0.00 H new ATOM 0 HB THR A 186 56.804 0.938 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.451 1.841 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.943 -0.033 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.202 -1.292 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.371 -1.092 9.667 1.00 0.00 H new ATOM 965 N ILE A 187 57.479 -0.729 5.173 1.00 0.00 N ATOM 966 CA ILE A 187 56.952 -1.546 4.070 1.00 0.00 C ATOM 967 C ILE A 187 57.981 -2.613 3.671 1.00 0.00 C ATOM 968 O ILE A 187 57.648 -3.786 3.486 1.00 0.00 O ATOM 969 CB ILE A 187 56.650 -0.656 2.846 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.739 0.515 3.239 1.00 0.00 C ATOM 971 CG2 ILE A 187 55.935 -1.480 1.774 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.645 1.515 2.081 1.00 0.00 C ATOM 0 H ILE A 187 57.497 0.273 4.981 1.00 0.00 H new ATOM 0 HA ILE A 187 56.033 -2.028 4.404 1.00 0.00 H new ATOM 0 HB ILE A 187 57.596 -0.271 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.746 0.145 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.131 1.010 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 187 55.723 -0.849 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.572 -2.310 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.000 -1.869 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.997 2.343 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.639 1.896 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.232 1.018 1.203 1.00 0.00 H new ATOM 984 N MET A 188 59.234 -2.185 3.573 1.00 0.00 N ATOM 985 CA MET A 188 60.326 -3.080 3.196 1.00 0.00 C ATOM 986 C MET A 188 60.452 -4.230 4.193 1.00 0.00 C ATOM 987 O MET A 188 60.649 -5.380 3.809 1.00 0.00 O ATOM 988 CB MET A 188 61.639 -2.304 3.161 1.00 0.00 C ATOM 989 CG MET A 188 61.516 -1.096 2.211 1.00 0.00 C ATOM 990 SD MET A 188 62.671 -1.256 0.828 1.00 0.00 S ATOM 991 CE MET A 188 61.538 -2.059 -0.334 1.00 0.00 C ATOM 0 H MET A 188 59.521 -1.222 3.749 1.00 0.00 H new ATOM 0 HA MET A 188 60.108 -3.489 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.896 -1.963 4.164 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.447 -2.956 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.496 -1.025 1.834 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.719 -0.175 2.757 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.644 -1.604 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.775 -3.121 -0.398 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.512 -1.936 0.014 1.00 0.00 H new ATOM 1001 N ALA A 189 60.332 -3.899 5.475 1.00 0.00 N ATOM 1002 CA ALA A 189 60.409 -4.893 6.556 1.00 0.00 C ATOM 1003 C ALA A 189 59.436 -6.060 6.344 1.00 0.00 C ATOM 1004 O ALA A 189 59.849 -7.217 6.329 1.00 0.00 O ATOM 1005 CB ALA A 189 60.105 -4.218 7.896 1.00 0.00 C ATOM 0 H ALA A 189 60.180 -2.944 5.799 1.00 0.00 H new ATOM 0 HA ALA A 189 61.420 -5.300 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.162 -4.956 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.833 -3.427 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.103 -3.790 7.869 1.00 0.00 H new ATOM 1011 N THR A 190 58.148 -5.753 6.157 1.00 0.00 N ATOM 1012 CA THR A 190 57.136 -6.802 5.928 1.00 0.00 C ATOM 1013 C THR A 190 57.532 -7.705 4.752 1.00 0.00 C ATOM 1014 O THR A 190 57.494 -8.932 4.857 1.00 0.00 O ATOM 1015 CB THR A 190 55.766 -6.169 5.625 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.951 -4.912 4.989 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.966 -5.980 6.913 1.00 0.00 C ATOM 0 H THR A 190 57.780 -4.802 6.159 1.00 0.00 H new ATOM 0 HA THR A 190 57.075 -7.402 6.836 1.00 0.00 H new ATOM 0 HB THR A 190 55.212 -6.835 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.710 -4.966 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.001 -5.531 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.810 -6.948 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.516 -5.326 7.590 1.00 0.00 H new ATOM 1025 N LEU A 191 57.910 -7.079 3.643 1.00 0.00 N ATOM 1026 CA LEU A 191 58.269 -7.819 2.429 1.00 0.00 C ATOM 1027 C LEU A 191 59.449 -8.765 2.677 1.00 0.00 C ATOM 1028 O LEU A 191 59.357 -9.968 2.432 1.00 0.00 O ATOM 1029 CB LEU A 191 58.647 -6.833 1.325 1.00 0.00 C ATOM 1030 CG LEU A 191 57.395 -6.104 0.826 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.777 -4.701 0.344 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.777 -6.893 -0.330 1.00 0.00 C ATOM 0 H LEU A 191 57.977 -6.065 3.555 1.00 0.00 H new ATOM 0 HA LEU A 191 57.406 -8.414 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.372 -6.112 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.123 -7.363 0.500 1.00 0.00 H new ATOM 0 HG LEU A 191 56.673 -6.022 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.886 -4.183 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.218 -4.141 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.499 -4.780 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.886 -6.377 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.499 -6.974 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.505 -7.891 0.015 1.00 0.00 H new ATOM 1044 N MET A 192 60.547 -8.203 3.167 1.00 0.00 N ATOM 1045 CA MET A 192 61.790 -8.951 3.337 1.00 0.00 C ATOM 1046 C MET A 192 61.723 -9.941 4.494 1.00 0.00 C ATOM 1047 O MET A 192 62.260 -11.046 4.406 1.00 0.00 O ATOM 1048 CB MET A 192 62.937 -7.984 3.587 1.00 0.00 C ATOM 1049 CG MET A 192 63.400 -7.382 2.257 1.00 0.00 C ATOM 1050 SD MET A 192 64.638 -8.460 1.492 1.00 0.00 S ATOM 1051 CE MET A 192 65.931 -8.239 2.738 1.00 0.00 C ATOM 0 H MET A 192 60.603 -7.226 3.456 1.00 0.00 H new ATOM 0 HA MET A 192 61.950 -9.518 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.617 -7.192 4.265 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.765 -8.503 4.071 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.549 -7.259 1.588 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.821 -6.390 2.423 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.904 -8.200 2.249 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.759 -7.309 3.279 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.909 -9.075 3.437 1.00 0.00 H new ATOM 1061 N GLY A 193 61.057 -9.542 5.570 1.00 0.00 N ATOM 1062 CA GLY A 193 61.238 -10.216 6.852 1.00 0.00 C ATOM 1063 C GLY A 193 60.474 -11.530 6.885 1.00 0.00 C ATOM 1064 O GLY A 193 60.826 -12.452 7.623 1.00 0.00 O ATOM 0 H GLY A 193 60.395 -8.766 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 193 62.298 -10.402 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.894 -9.570 7.659 1.00 0.00 H new