USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 325 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 Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.6!) USER MOD Single : A 195 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.97) USER MOD Single : A 198 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.3!) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 ASN : amide:sc= -0.714 K(o=-0.71,f=-3.2!) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-14!) USER MOD Single : A 229 LYS NZ :NH3+ -111:sc= -0.205 (180deg=-1.78!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 175:sc= -3.74! (180deg=-3.93!) USER MOD Single : A 233 GLN : amide:sc= -1.21! C(o=-1.2!,f=-2.1!) USER MOD Single : A 235 THR OG1 : rot 46:sc= 0.421 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 4.496 -18.627 5.864 1.00 0.00 N ATOM 19 CA CYS A 189 5.935 -18.292 5.671 1.00 0.00 C ATOM 20 C CYS A 189 6.525 -19.150 4.552 1.00 0.00 C ATOM 21 O CYS A 189 7.585 -18.861 4.032 1.00 0.00 O ATOM 22 CB CYS A 189 6.702 -18.543 6.970 1.00 0.00 C ATOM 23 SG CYS A 189 6.245 -17.280 8.184 1.00 0.00 S ATOM 0 HA CYS A 189 6.022 -17.240 5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 189 6.472 -19.536 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 189 7.776 -18.514 6.784 1.00 0.00 H new ATOM 28 N ALA A 190 5.852 -20.199 4.168 1.00 0.00 N ATOM 29 CA ALA A 190 6.389 -21.057 3.076 1.00 0.00 C ATOM 30 C ALA A 190 6.586 -20.199 1.826 1.00 0.00 C ATOM 31 O ALA A 190 7.532 -20.370 1.083 1.00 0.00 O ATOM 32 CB ALA A 190 5.397 -22.183 2.776 1.00 0.00 C ATOM 0 H ALA A 190 4.959 -20.498 4.560 1.00 0.00 H new ATOM 0 HA ALA A 190 7.341 -21.492 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 190 5.790 -22.811 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 190 5.249 -22.786 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 190 4.444 -21.755 2.466 1.00 0.00 H new ATOM 38 N SER A 191 5.700 -19.269 1.596 1.00 0.00 N ATOM 39 CA SER A 191 5.834 -18.386 0.405 1.00 0.00 C ATOM 40 C SER A 191 6.728 -17.196 0.760 1.00 0.00 C ATOM 41 O SER A 191 7.042 -16.371 -0.074 1.00 0.00 O ATOM 42 CB SER A 191 4.453 -17.879 -0.013 1.00 0.00 C ATOM 43 OG SER A 191 3.960 -16.987 0.979 1.00 0.00 O ATOM 0 H SER A 191 4.887 -19.083 2.184 1.00 0.00 H new ATOM 0 HA SER A 191 6.278 -18.946 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 191 4.515 -17.372 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 191 3.768 -18.717 -0.138 1.00 0.00 H new ATOM 0 HG SER A 191 3.076 -16.659 0.713 1.00 0.00 H new ATOM 49 N CYS A 192 7.135 -17.099 1.998 1.00 0.00 N ATOM 50 CA CYS A 192 8.003 -15.961 2.418 1.00 0.00 C ATOM 51 C CYS A 192 9.242 -16.497 3.147 1.00 0.00 C ATOM 52 O CYS A 192 9.230 -16.671 4.349 1.00 0.00 O ATOM 53 CB CYS A 192 7.216 -15.046 3.358 1.00 0.00 C ATOM 54 SG CYS A 192 5.765 -14.402 2.490 1.00 0.00 S ATOM 0 H CYS A 192 6.903 -17.761 2.738 1.00 0.00 H new ATOM 0 HA CYS A 192 8.318 -15.401 1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 192 6.908 -15.597 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 192 7.847 -14.224 3.696 1.00 0.00 H new ATOM 59 N PRO A 193 10.302 -16.757 2.425 1.00 0.00 N ATOM 60 CA PRO A 193 11.568 -17.286 3.011 1.00 0.00 C ATOM 61 C PRO A 193 11.955 -16.571 4.311 1.00 0.00 C ATOM 62 O PRO A 193 12.844 -15.743 4.340 1.00 0.00 O ATOM 63 CB PRO A 193 12.603 -17.016 1.920 1.00 0.00 C ATOM 64 CG PRO A 193 11.835 -17.044 0.640 1.00 0.00 C ATOM 65 CD PRO A 193 10.413 -16.579 0.966 1.00 0.00 C ATOM 0 HA PRO A 193 11.482 -18.338 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 193 13.089 -16.051 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 193 13.388 -17.772 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 193 12.295 -16.390 -0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 193 11.826 -18.048 0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 193 10.258 -15.539 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 193 9.668 -17.171 0.434 1.00 0.00 H new ATOM 73 N ASN A 194 11.292 -16.894 5.388 1.00 0.00 N ATOM 74 CA ASN A 194 11.611 -16.246 6.693 1.00 0.00 C ATOM 75 C ASN A 194 11.407 -14.734 6.585 1.00 0.00 C ATOM 76 O ASN A 194 12.137 -13.957 7.168 1.00 0.00 O ATOM 77 CB ASN A 194 13.065 -16.537 7.067 1.00 0.00 C ATOM 78 CG ASN A 194 13.278 -16.232 8.552 1.00 0.00 C ATOM 79 OD1 ASN A 194 12.329 -16.076 9.294 1.00 0.00 O ATOM 80 ND2 ASN A 194 14.492 -16.138 9.018 1.00 0.00 N ATOM 0 H ASN A 194 10.540 -17.582 5.421 1.00 0.00 H new ATOM 0 HA ASN A 194 10.949 -16.645 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 194 13.303 -17.580 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 194 13.737 -15.930 6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 194 14.645 -15.934 10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 194 15.289 -16.269 8.395 1.00 0.00 H new ATOM 87 N ASN A 195 10.416 -14.311 5.850 1.00 0.00 N ATOM 88 CA ASN A 195 10.164 -12.850 5.714 1.00 0.00 C ATOM 89 C ASN A 195 8.963 -12.460 6.577 1.00 0.00 C ATOM 90 O ASN A 195 8.468 -11.353 6.500 1.00 0.00 O ATOM 91 CB ASN A 195 9.872 -12.510 4.252 1.00 0.00 C ATOM 92 CG ASN A 195 10.829 -11.413 3.782 1.00 0.00 C ATOM 93 OD1 ASN A 195 11.983 -11.394 4.160 1.00 0.00 O ATOM 94 ND2 ASN A 195 10.395 -10.490 2.968 1.00 0.00 N ATOM 0 H ASN A 195 9.771 -14.913 5.339 1.00 0.00 H new ATOM 0 HA ASN A 195 11.046 -12.299 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.987 -13.398 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 195 8.840 -12.177 4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 195 11.025 -9.753 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 195 9.426 -10.505 2.650 1.00 0.00 H new ATOM 101 N CYS A 196 8.481 -13.358 7.393 1.00 0.00 N ATOM 102 CA CYS A 196 7.307 -13.024 8.245 1.00 0.00 C ATOM 103 C CYS A 196 7.775 -12.354 9.538 1.00 0.00 C ATOM 104 O CYS A 196 8.397 -12.974 10.378 1.00 0.00 O ATOM 105 CB CYS A 196 6.536 -14.300 8.597 1.00 0.00 C ATOM 106 SG CYS A 196 6.765 -15.538 7.299 1.00 0.00 S ATOM 0 H CYS A 196 8.848 -14.303 7.505 1.00 0.00 H new ATOM 0 HA CYS A 196 6.658 -12.344 7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 196 6.884 -14.694 9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 196 5.476 -14.074 8.713 1.00 0.00 H new ATOM 111 N GLU A 197 7.467 -11.098 9.715 1.00 0.00 N ATOM 112 CA GLU A 197 7.883 -10.403 10.965 1.00 0.00 C ATOM 113 C GLU A 197 7.230 -11.103 12.156 1.00 0.00 C ATOM 114 O GLU A 197 7.771 -11.145 13.243 1.00 0.00 O ATOM 115 CB GLU A 197 7.433 -8.942 10.918 1.00 0.00 C ATOM 116 CG GLU A 197 7.940 -8.212 12.164 1.00 0.00 C ATOM 117 CD GLU A 197 7.454 -6.761 12.142 1.00 0.00 C ATOM 118 OE1 GLU A 197 6.755 -6.406 11.207 1.00 0.00 O ATOM 119 OE2 GLU A 197 7.792 -6.031 13.058 1.00 0.00 O ATOM 0 H GLU A 197 6.947 -10.525 9.050 1.00 0.00 H new ATOM 0 HA GLU A 197 8.968 -10.436 11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 197 7.818 -8.460 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 197 6.346 -8.887 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 197 7.581 -8.713 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 197 9.029 -8.241 12.197 1.00 0.00 H new ATOM 127 N ASN A 198 6.065 -11.651 11.952 1.00 0.00 N ATOM 128 CA ASN A 198 5.359 -12.356 13.057 1.00 0.00 C ATOM 129 C ASN A 198 4.287 -13.264 12.455 1.00 0.00 C ATOM 130 O ASN A 198 3.170 -13.329 12.930 1.00 0.00 O ATOM 131 CB ASN A 198 4.705 -11.323 13.976 1.00 0.00 C ATOM 132 CG ASN A 198 4.354 -11.972 15.315 1.00 0.00 C ATOM 133 OD1 ASN A 198 4.449 -13.175 15.465 1.00 0.00 O ATOM 134 ND2 ASN A 198 3.956 -11.221 16.305 1.00 0.00 N ATOM 0 H ASN A 198 5.569 -11.641 11.061 1.00 0.00 H new ATOM 0 HA ASN A 198 6.065 -12.954 13.634 1.00 0.00 H new ATOM 0 HB2 ASN A 198 5.382 -10.483 14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 198 3.805 -10.924 13.508 1.00 0.00 H new ATOM 0 HD21 ASN A 198 3.725 -11.643 17.204 1.00 0.00 H new ATOM 0 HD22 ASN A 198 3.876 -10.212 16.180 1.00 0.00 H new ATOM 141 N GLY A 199 4.619 -13.958 11.400 1.00 0.00 N ATOM 142 CA GLY A 199 3.625 -14.857 10.748 1.00 0.00 C ATOM 143 C GLY A 199 3.018 -14.140 9.539 1.00 0.00 C ATOM 144 O GLY A 199 2.335 -14.735 8.728 1.00 0.00 O ATOM 0 H GLY A 199 5.539 -13.941 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 199 4.105 -15.783 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 199 2.842 -15.128 11.456 1.00 0.00 H new ATOM 148 N LEU A 200 3.263 -12.861 9.415 1.00 0.00 N ATOM 149 CA LEU A 200 2.707 -12.096 8.265 1.00 0.00 C ATOM 150 C LEU A 200 3.842 -11.628 7.354 1.00 0.00 C ATOM 151 O LEU A 200 4.865 -11.164 7.812 1.00 0.00 O ATOM 152 CB LEU A 200 1.958 -10.874 8.793 1.00 0.00 C ATOM 153 CG LEU A 200 0.828 -11.322 9.721 1.00 0.00 C ATOM 154 CD1 LEU A 200 0.047 -10.097 10.198 1.00 0.00 C ATOM 155 CD2 LEU A 200 -0.110 -12.263 8.961 1.00 0.00 C ATOM 0 H LEU A 200 3.827 -12.314 10.065 1.00 0.00 H new ATOM 0 HA LEU A 200 2.030 -12.737 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 200 2.644 -10.219 9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 200 1.552 -10.298 7.962 1.00 0.00 H new ATOM 0 HG LEU A 200 1.246 -11.843 10.582 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.759 -10.414 10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.716 -9.426 10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -0.374 -9.576 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -0.916 -12.584 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -0.530 -11.741 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.448 -13.135 8.619 1.00 0.00 H new ATOM 167 N CYS A 201 3.663 -11.736 6.066 1.00 0.00 N ATOM 168 CA CYS A 201 4.729 -11.290 5.123 1.00 0.00 C ATOM 169 C CYS A 201 4.657 -9.770 4.958 1.00 0.00 C ATOM 170 O CYS A 201 3.591 -9.192 4.913 1.00 0.00 O ATOM 171 CB CYS A 201 4.516 -11.961 3.764 1.00 0.00 C ATOM 172 SG CYS A 201 4.545 -13.759 3.966 1.00 0.00 S ATOM 0 H CYS A 201 2.824 -12.114 5.625 1.00 0.00 H new ATOM 0 HA CYS A 201 5.707 -11.567 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 201 3.563 -11.648 3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 201 5.295 -11.650 3.067 1.00 0.00 H new ATOM 177 N THR A 202 5.786 -9.118 4.868 1.00 0.00 N ATOM 178 CA THR A 202 5.778 -7.635 4.709 1.00 0.00 C ATOM 179 C THR A 202 6.307 -7.260 3.323 1.00 0.00 C ATOM 180 O THR A 202 6.537 -6.103 3.030 1.00 0.00 O ATOM 181 CB THR A 202 6.668 -7.004 5.782 1.00 0.00 C ATOM 182 OG1 THR A 202 8.021 -7.370 5.551 1.00 0.00 O ATOM 183 CG2 THR A 202 6.231 -7.498 7.161 1.00 0.00 C ATOM 0 H THR A 202 6.711 -9.547 4.898 1.00 0.00 H new ATOM 0 HA THR A 202 4.758 -7.267 4.816 1.00 0.00 H new ATOM 0 HB THR A 202 6.575 -5.919 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 202 8.591 -6.965 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 202 6.865 -7.049 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 202 5.193 -7.215 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 202 6.323 -8.583 7.205 1.00 0.00 H new ATOM 191 N ASN A 203 6.506 -8.226 2.470 1.00 0.00 N ATOM 192 CA ASN A 203 7.025 -7.921 1.109 1.00 0.00 C ATOM 193 C ASN A 203 6.199 -8.672 0.062 1.00 0.00 C ATOM 194 O ASN A 203 6.624 -8.857 -1.062 1.00 0.00 O ATOM 195 CB ASN A 203 8.489 -8.355 1.020 1.00 0.00 C ATOM 196 CG ASN A 203 9.108 -7.810 -0.266 1.00 0.00 C ATOM 197 OD1 ASN A 203 8.501 -7.017 -0.959 1.00 0.00 O ATOM 198 ND2 ASN A 203 10.302 -8.204 -0.616 1.00 0.00 N ATOM 0 H ASN A 203 6.331 -9.213 2.657 1.00 0.00 H new ATOM 0 HA ASN A 203 6.950 -6.850 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 203 9.041 -7.988 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 203 8.558 -9.443 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 203 10.727 -7.846 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 203 10.811 -8.869 -0.034 1.00 0.00 H new ATOM 239 N PHE A 207 2.176 -3.394 -4.925 1.00 0.00 N ATOM 240 CA PHE A 207 1.642 -2.049 -5.283 1.00 0.00 C ATOM 241 C PHE A 207 2.359 -0.953 -4.499 1.00 0.00 C ATOM 242 O PHE A 207 2.842 -1.162 -3.403 1.00 0.00 O ATOM 243 CB PHE A 207 0.150 -1.987 -4.960 1.00 0.00 C ATOM 244 CG PHE A 207 -0.629 -2.732 -6.010 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.557 -2.327 -7.345 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.419 -3.827 -5.648 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.280 -3.018 -8.323 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.144 -4.517 -6.624 1.00 0.00 C ATOM 249 CZ PHE A 207 -2.071 -4.116 -7.964 1.00 0.00 C ATOM 0 HA PHE A 207 1.806 -1.890 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.037 -2.422 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.180 -0.949 -4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.056 -1.482 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.469 -4.140 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.228 -2.704 -9.355 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.760 -5.359 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.624 -4.653 -8.720 1.00 0.00 H new ATOM 259 N GLU A 208 2.411 0.222 -5.061 1.00 0.00 N ATOM 260 CA GLU A 208 3.070 1.359 -4.372 1.00 0.00 C ATOM 261 C GLU A 208 2.191 2.600 -4.515 1.00 0.00 C ATOM 262 O GLU A 208 1.609 2.842 -5.553 1.00 0.00 O ATOM 263 CB GLU A 208 4.440 1.620 -5.003 1.00 0.00 C ATOM 264 CG GLU A 208 5.366 0.436 -4.723 1.00 0.00 C ATOM 265 CD GLU A 208 5.569 0.292 -3.214 1.00 0.00 C ATOM 266 OE1 GLU A 208 5.999 -0.770 -2.792 1.00 0.00 O ATOM 267 OE2 GLU A 208 5.292 1.245 -2.505 1.00 0.00 O ATOM 0 H GLU A 208 2.020 0.442 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 208 3.206 1.123 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.335 1.766 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.870 2.536 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.937 -0.479 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.326 0.587 -5.217 1.00 0.00 H new ATOM 275 N ASP A 209 2.087 3.390 -3.484 1.00 0.00 N ATOM 276 CA ASP A 209 1.242 4.610 -3.574 1.00 0.00 C ATOM 277 C ASP A 209 1.994 5.688 -4.352 1.00 0.00 C ATOM 278 O ASP A 209 2.968 6.240 -3.881 1.00 0.00 O ATOM 279 CB ASP A 209 0.931 5.125 -2.167 1.00 0.00 C ATOM 280 CG ASP A 209 0.027 4.126 -1.442 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.129 4.262 -0.241 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.494 3.244 -2.104 1.00 0.00 O ATOM 0 H ASP A 209 2.549 3.244 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 209 0.310 4.369 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.856 5.266 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.442 6.098 -2.225 1.00 0.00 H new ATOM 288 N LEU A 210 1.545 6.000 -5.534 1.00 0.00 N ATOM 289 CA LEU A 210 2.230 7.052 -6.330 1.00 0.00 C ATOM 290 C LEU A 210 2.132 8.384 -5.580 1.00 0.00 C ATOM 291 O LEU A 210 2.977 9.248 -5.714 1.00 0.00 O ATOM 292 CB LEU A 210 1.573 7.163 -7.712 1.00 0.00 C ATOM 293 CG LEU A 210 1.772 5.856 -8.487 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.186 5.996 -9.894 1.00 0.00 C ATOM 295 CD2 LEU A 210 3.266 5.548 -8.596 1.00 0.00 C ATOM 0 H LEU A 210 0.735 5.573 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 210 3.280 6.794 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.509 7.374 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 210 2.008 7.995 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 210 1.267 5.047 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 210 1.329 5.065 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 210 0.121 6.216 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.690 6.807 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.407 4.618 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.768 6.361 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 210 3.690 5.445 -7.597 1.00 0.00 H new ATOM 307 N LEU A 211 1.110 8.551 -4.782 1.00 0.00 N ATOM 308 CA LEU A 211 0.955 9.820 -4.011 1.00 0.00 C ATOM 309 C LEU A 211 1.099 9.533 -2.513 1.00 0.00 C ATOM 310 O LEU A 211 0.685 8.498 -2.028 1.00 0.00 O ATOM 311 CB LEU A 211 -0.428 10.417 -4.283 1.00 0.00 C ATOM 312 CG LEU A 211 -0.601 10.634 -5.785 1.00 0.00 C ATOM 313 CD1 LEU A 211 -1.991 11.207 -6.062 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.460 11.617 -6.282 1.00 0.00 C ATOM 0 H LEU A 211 0.374 7.861 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 211 1.725 10.526 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.204 9.749 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.539 11.363 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.490 9.682 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.114 11.362 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.750 10.509 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.102 12.159 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.338 11.773 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.347 12.568 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.452 11.211 -6.085 1.00 0.00 H new ATOM 326 N SER A 212 1.683 10.440 -1.777 1.00 0.00 N ATOM 327 CA SER A 212 1.852 10.219 -0.312 1.00 0.00 C ATOM 328 C SER A 212 0.561 10.596 0.417 1.00 0.00 C ATOM 329 O SER A 212 0.458 10.476 1.621 1.00 0.00 O ATOM 330 CB SER A 212 3.007 11.081 0.204 1.00 0.00 C ATOM 331 OG SER A 212 2.613 12.448 0.196 1.00 0.00 O ATOM 0 H SER A 212 2.050 11.325 -2.127 1.00 0.00 H new ATOM 0 HA SER A 212 2.074 9.168 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.281 10.775 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.888 10.941 -0.422 1.00 0.00 H new ATOM 0 HG SER A 212 3.350 13.003 0.528 1.00 0.00 H new ATOM 337 N ASN A 213 -0.427 11.049 -0.305 1.00 0.00 N ATOM 338 CA ASN A 213 -1.711 11.432 0.341 1.00 0.00 C ATOM 339 C ASN A 213 -2.758 10.349 0.069 1.00 0.00 C ATOM 340 O ASN A 213 -3.940 10.549 0.266 1.00 0.00 O ATOM 341 CB ASN A 213 -2.188 12.765 -0.238 1.00 0.00 C ATOM 342 CG ASN A 213 -1.167 13.854 0.076 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.446 14.298 -0.796 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.077 14.313 1.292 1.00 0.00 N ATOM 0 H ASN A 213 -0.399 11.170 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.567 11.534 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.322 12.678 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.158 13.030 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.402 15.045 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.682 13.940 2.024 1.00 0.00 H new ATOM 351 N CYS A 214 -2.331 9.207 -0.392 1.00 0.00 N ATOM 352 CA CYS A 214 -3.295 8.115 -0.696 1.00 0.00 C ATOM 353 C CYS A 214 -4.197 7.845 0.506 1.00 0.00 C ATOM 354 O CYS A 214 -5.403 7.778 0.378 1.00 0.00 O ATOM 355 CB CYS A 214 -2.519 6.850 -1.049 1.00 0.00 C ATOM 356 SG CYS A 214 -1.950 6.982 -2.756 1.00 0.00 S ATOM 0 H CYS A 214 -1.352 8.983 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.921 8.416 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.671 6.726 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.153 5.971 -0.928 1.00 0.00 H new ATOM 361 N GLU A 215 -3.639 7.696 1.671 1.00 0.00 N ATOM 362 CA GLU A 215 -4.498 7.440 2.855 1.00 0.00 C ATOM 363 C GLU A 215 -5.464 8.614 3.004 1.00 0.00 C ATOM 364 O GLU A 215 -6.614 8.451 3.360 1.00 0.00 O ATOM 365 CB GLU A 215 -3.630 7.322 4.109 1.00 0.00 C ATOM 366 CG GLU A 215 -4.494 6.858 5.283 1.00 0.00 C ATOM 367 CD GLU A 215 -3.664 6.877 6.566 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.200 6.511 7.600 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.507 7.258 6.495 1.00 0.00 O ATOM 0 H GLU A 215 -2.637 7.740 1.854 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.051 6.510 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.819 6.614 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.171 8.284 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.362 7.509 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.871 5.852 5.096 1.00 0.00 H new ATOM 377 N SER A 216 -4.995 9.798 2.724 1.00 0.00 N ATOM 378 CA SER A 216 -5.867 11.001 2.834 1.00 0.00 C ATOM 379 C SER A 216 -6.937 10.974 1.736 1.00 0.00 C ATOM 380 O SER A 216 -8.080 11.322 1.965 1.00 0.00 O ATOM 381 CB SER A 216 -5.005 12.255 2.677 1.00 0.00 C ATOM 382 OG SER A 216 -4.053 12.307 3.732 1.00 0.00 O ATOM 0 H SER A 216 -4.039 9.985 2.422 1.00 0.00 H new ATOM 0 HA SER A 216 -6.359 11.007 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.496 12.242 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.633 13.146 2.694 1.00 0.00 H new ATOM 0 HG SER A 216 -3.498 13.109 3.633 1.00 0.00 H new ATOM 388 N LEU A 217 -6.575 10.574 0.546 1.00 0.00 N ATOM 389 CA LEU A 217 -7.566 10.533 -0.571 1.00 0.00 C ATOM 390 C LEU A 217 -8.610 9.443 -0.315 1.00 0.00 C ATOM 391 O LEU A 217 -9.762 9.579 -0.676 1.00 0.00 O ATOM 392 CB LEU A 217 -6.844 10.240 -1.888 1.00 0.00 C ATOM 393 CG LEU A 217 -5.865 11.374 -2.201 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.138 11.074 -3.512 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.635 12.688 -2.343 1.00 0.00 C ATOM 0 H LEU A 217 -5.633 10.273 0.298 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.066 11.500 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.309 9.293 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.568 10.138 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.140 11.459 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.441 11.882 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.589 10.137 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.865 10.989 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.938 13.496 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.359 12.600 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.157 12.906 -1.411 1.00 0.00 H new ATOM 407 N LYS A 218 -8.217 8.358 0.291 1.00 0.00 N ATOM 408 CA LYS A 218 -9.190 7.260 0.552 1.00 0.00 C ATOM 409 C LYS A 218 -10.373 7.805 1.353 1.00 0.00 C ATOM 410 O LYS A 218 -11.520 7.560 1.033 1.00 0.00 O ATOM 411 CB LYS A 218 -8.491 6.163 1.361 1.00 0.00 C ATOM 412 CG LYS A 218 -9.264 4.842 1.249 1.00 0.00 C ATOM 413 CD LYS A 218 -10.391 4.789 2.289 1.00 0.00 C ATOM 414 CE LYS A 218 -9.807 4.915 3.699 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.535 3.998 4.623 1.00 0.00 N ATOM 0 H LYS A 218 -7.266 8.184 0.617 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.552 6.854 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.472 6.028 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.420 6.463 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.681 4.742 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.585 4.003 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.103 5.594 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.940 3.852 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.745 4.669 3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.892 5.944 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.138 4.083 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.543 4.253 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.432 3.018 4.292 1.00 0.00 H new ATOM 429 N THR A 219 -10.103 8.540 2.393 1.00 0.00 N ATOM 430 CA THR A 219 -11.203 9.102 3.224 1.00 0.00 C ATOM 431 C THR A 219 -12.045 10.073 2.390 1.00 0.00 C ATOM 432 O THR A 219 -13.241 10.181 2.568 1.00 0.00 O ATOM 433 CB THR A 219 -10.604 9.840 4.425 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.748 8.958 5.137 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.726 10.319 5.348 1.00 0.00 C ATOM 0 H THR A 219 -9.162 8.778 2.706 1.00 0.00 H new ATOM 0 HA THR A 219 -11.841 8.291 3.574 1.00 0.00 H new ATOM 0 HB THR A 219 -10.035 10.701 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.361 9.427 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.296 10.844 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.384 10.994 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.298 9.461 5.700 1.00 0.00 H new ATOM 443 N SER A 220 -11.427 10.793 1.494 1.00 0.00 N ATOM 444 CA SER A 220 -12.195 11.768 0.667 1.00 0.00 C ATOM 445 C SER A 220 -12.742 11.092 -0.592 1.00 0.00 C ATOM 446 O SER A 220 -13.721 11.531 -1.164 1.00 0.00 O ATOM 447 CB SER A 220 -11.274 12.918 0.265 1.00 0.00 C ATOM 448 OG SER A 220 -10.894 13.643 1.428 1.00 0.00 O ATOM 0 H SER A 220 -10.427 10.749 1.299 1.00 0.00 H new ATOM 0 HA SER A 220 -13.033 12.145 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.390 12.531 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.782 13.577 -0.439 1.00 0.00 H new ATOM 0 HG SER A 220 -10.301 14.381 1.174 1.00 0.00 H new ATOM 454 N ALA A 221 -12.124 10.031 -1.034 1.00 0.00 N ATOM 455 CA ALA A 221 -12.619 9.340 -2.260 1.00 0.00 C ATOM 456 C ALA A 221 -12.948 7.885 -1.934 1.00 0.00 C ATOM 457 O ALA A 221 -14.072 7.546 -1.619 1.00 0.00 O ATOM 458 CB ALA A 221 -11.538 9.383 -3.343 1.00 0.00 C ATOM 0 H ALA A 221 -11.300 9.613 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.517 9.844 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.900 8.878 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.303 10.420 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.640 8.881 -2.981 1.00 0.00 H new ATOM 464 N GLY A 222 -11.975 7.022 -2.005 1.00 0.00 N ATOM 465 CA GLY A 222 -12.229 5.588 -1.701 1.00 0.00 C ATOM 466 C GLY A 222 -11.152 4.727 -2.361 1.00 0.00 C ATOM 467 O GLY A 222 -10.801 4.924 -3.508 1.00 0.00 O ATOM 0 H GLY A 222 -11.014 7.248 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.227 5.428 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.215 5.298 -2.064 1.00 0.00 H new ATOM 471 N CYS A 223 -10.626 3.773 -1.646 1.00 0.00 N ATOM 472 CA CYS A 223 -9.574 2.898 -2.230 1.00 0.00 C ATOM 473 C CYS A 223 -10.140 2.175 -3.452 1.00 0.00 C ATOM 474 O CYS A 223 -9.514 2.112 -4.492 1.00 0.00 O ATOM 475 CB CYS A 223 -9.124 1.888 -1.172 1.00 0.00 C ATOM 476 SG CYS A 223 -9.668 0.222 -1.628 1.00 0.00 S ATOM 0 H CYS A 223 -10.880 3.562 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.716 3.494 -2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -8.039 1.910 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.536 2.160 -0.200 1.00 0.00 H new ATOM 481 N LYS A 224 -11.325 1.645 -3.344 1.00 0.00 N ATOM 482 CA LYS A 224 -11.936 0.946 -4.506 1.00 0.00 C ATOM 483 C LYS A 224 -12.127 1.947 -5.649 1.00 0.00 C ATOM 484 O LYS A 224 -12.216 1.579 -6.803 1.00 0.00 O ATOM 485 CB LYS A 224 -13.287 0.353 -4.101 1.00 0.00 C ATOM 486 CG LYS A 224 -13.066 -0.749 -3.062 1.00 0.00 C ATOM 487 CD LYS A 224 -14.399 -1.430 -2.746 1.00 0.00 C ATOM 488 CE LYS A 224 -14.196 -2.463 -1.636 1.00 0.00 C ATOM 489 NZ LYS A 224 -15.506 -3.083 -1.287 1.00 0.00 N ATOM 0 H LYS A 224 -11.897 1.666 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 224 -11.281 0.139 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -13.930 1.131 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -13.796 -0.053 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -12.352 -1.481 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -12.638 -0.326 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -15.134 -0.687 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -14.793 -1.914 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -13.494 -3.230 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -13.761 -1.987 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -15.368 -3.785 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -16.162 -2.346 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -15.903 -3.551 -2.127 1.00 0.00 H new ATOM 503 N HIS A 225 -12.195 3.214 -5.334 1.00 0.00 N ATOM 504 CA HIS A 225 -12.383 4.242 -6.398 1.00 0.00 C ATOM 505 C HIS A 225 -11.350 4.024 -7.507 1.00 0.00 C ATOM 506 O HIS A 225 -10.211 3.699 -7.250 1.00 0.00 O ATOM 507 CB HIS A 225 -12.197 5.635 -5.795 1.00 0.00 C ATOM 508 CG HIS A 225 -12.680 6.668 -6.773 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.289 6.668 -8.104 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.526 7.742 -6.631 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.895 7.709 -8.706 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.656 8.393 -7.851 1.00 0.00 N ATOM 0 H HIS A 225 -12.128 3.581 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.386 4.156 -6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.751 5.716 -4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.146 5.804 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -14.014 8.034 -5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.779 7.959 -9.750 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -14.217 9.221 -8.051 1.00 0.00 H new ATOM 521 N GLU A 226 -11.745 4.196 -8.740 1.00 0.00 N ATOM 522 CA GLU A 226 -10.796 3.989 -9.872 1.00 0.00 C ATOM 523 C GLU A 226 -9.593 4.930 -9.745 1.00 0.00 C ATOM 524 O GLU A 226 -8.484 4.575 -10.093 1.00 0.00 O ATOM 525 CB GLU A 226 -11.517 4.272 -11.190 1.00 0.00 C ATOM 526 CG GLU A 226 -12.620 3.234 -11.406 1.00 0.00 C ATOM 527 CD GLU A 226 -11.993 1.850 -11.569 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.800 1.787 -11.819 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.716 0.874 -11.445 1.00 0.00 O ATOM 0 H GLU A 226 -12.688 4.472 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.441 2.959 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.945 5.274 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.808 4.242 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -13.307 3.236 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -13.204 3.487 -12.291 1.00 0.00 H new ATOM 537 N LEU A 227 -9.795 6.125 -9.264 1.00 0.00 N ATOM 538 CA LEU A 227 -8.649 7.070 -9.137 1.00 0.00 C ATOM 539 C LEU A 227 -7.564 6.455 -8.250 1.00 0.00 C ATOM 540 O LEU A 227 -6.396 6.473 -8.586 1.00 0.00 O ATOM 541 CB LEU A 227 -9.134 8.387 -8.522 1.00 0.00 C ATOM 542 CG LEU A 227 -9.326 9.432 -9.627 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.428 8.979 -10.585 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.722 10.772 -9.000 1.00 0.00 C ATOM 0 H LEU A 227 -10.697 6.487 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.234 7.265 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -10.073 8.228 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.411 8.746 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 227 -8.392 9.545 -10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.559 9.726 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -10.149 8.026 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -11.362 8.861 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.859 11.515 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -10.654 10.654 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.936 11.102 -8.321 1.00 0.00 H new ATOM 556 N LEU A 228 -7.936 5.904 -7.129 1.00 0.00 N ATOM 557 CA LEU A 228 -6.925 5.285 -6.228 1.00 0.00 C ATOM 558 C LEU A 228 -6.367 4.017 -6.877 1.00 0.00 C ATOM 559 O LEU A 228 -5.276 3.579 -6.571 1.00 0.00 O ATOM 560 CB LEU A 228 -7.565 4.962 -4.870 1.00 0.00 C ATOM 561 CG LEU A 228 -7.603 6.237 -4.011 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.793 7.104 -4.426 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.741 5.871 -2.530 1.00 0.00 C ATOM 0 H LEU A 228 -8.899 5.856 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.105 5.984 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.574 4.576 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.995 4.184 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.675 6.789 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.816 8.006 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.694 7.379 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.718 6.545 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.767 6.781 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.663 5.310 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.891 5.260 -2.225 1.00 0.00 H new ATOM 575 N LYS A 229 -7.112 3.423 -7.765 1.00 0.00 N ATOM 576 CA LYS A 229 -6.636 2.180 -8.433 1.00 0.00 C ATOM 577 C LYS A 229 -5.498 2.483 -9.415 1.00 0.00 C ATOM 578 O LYS A 229 -4.924 1.581 -9.990 1.00 0.00 O ATOM 579 CB LYS A 229 -7.798 1.528 -9.187 1.00 0.00 C ATOM 580 CG LYS A 229 -8.861 1.049 -8.196 1.00 0.00 C ATOM 581 CD LYS A 229 -8.318 -0.138 -7.396 1.00 0.00 C ATOM 582 CE LYS A 229 -9.480 -0.906 -6.764 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.631 -2.223 -7.447 1.00 0.00 N ATOM 0 H LYS A 229 -8.034 3.746 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.260 1.502 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.235 2.242 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.433 0.687 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -9.136 1.860 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -9.766 0.758 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.745 -0.797 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -7.637 0.214 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.297 -1.054 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.402 -0.330 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -10.514 -2.230 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.824 -2.378 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -9.661 -2.981 -6.736 1.00 0.00 H new ATOM 597 N THR A 230 -5.169 3.731 -9.639 1.00 0.00 N ATOM 598 CA THR A 230 -4.071 4.026 -10.608 1.00 0.00 C ATOM 599 C THR A 230 -2.855 4.643 -9.895 1.00 0.00 C ATOM 600 O THR A 230 -1.730 4.433 -10.301 1.00 0.00 O ATOM 601 CB THR A 230 -4.589 4.959 -11.711 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.858 4.727 -12.907 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.432 6.418 -11.298 1.00 0.00 C ATOM 0 H THR A 230 -5.604 4.544 -9.202 1.00 0.00 H new ATOM 0 HA THR A 230 -3.745 3.090 -11.062 1.00 0.00 H new ATOM 0 HB THR A 230 -5.647 4.753 -11.875 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.189 5.321 -13.613 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.805 7.063 -12.093 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.000 6.601 -10.386 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.379 6.634 -11.119 1.00 0.00 H new ATOM 611 N LYS A 231 -3.053 5.384 -8.831 1.00 0.00 N ATOM 612 CA LYS A 231 -1.875 5.975 -8.113 1.00 0.00 C ATOM 613 C LYS A 231 -1.858 5.485 -6.661 1.00 0.00 C ATOM 614 O LYS A 231 -0.827 5.460 -6.019 1.00 0.00 O ATOM 615 CB LYS A 231 -1.934 7.511 -8.129 1.00 0.00 C ATOM 616 CG LYS A 231 -3.371 7.994 -8.288 1.00 0.00 C ATOM 617 CD LYS A 231 -4.203 7.481 -7.119 1.00 0.00 C ATOM 618 CE LYS A 231 -5.364 8.446 -6.857 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.820 9.794 -6.530 1.00 0.00 N ATOM 0 H LYS A 231 -3.965 5.604 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.967 5.656 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.513 7.906 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.324 7.895 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.400 9.083 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.786 7.636 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.587 6.485 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.582 7.392 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.008 8.504 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.978 8.080 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.604 10.471 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.292 9.748 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.184 10.106 -7.291 1.00 0.00 H new ATOM 633 N CYS A 232 -2.990 5.094 -6.142 1.00 0.00 N ATOM 634 CA CYS A 232 -3.041 4.603 -4.733 1.00 0.00 C ATOM 635 C CYS A 232 -3.330 3.104 -4.726 1.00 0.00 C ATOM 636 O CYS A 232 -3.942 2.577 -3.817 1.00 0.00 O ATOM 637 CB CYS A 232 -4.143 5.341 -3.984 1.00 0.00 C ATOM 638 SG CYS A 232 -3.672 7.075 -3.801 1.00 0.00 S ATOM 0 H CYS A 232 -3.884 5.093 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.084 4.787 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.085 5.262 -4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.301 4.889 -3.005 1.00 0.00 H new ATOM 643 N GLN A 233 -2.897 2.418 -5.742 1.00 0.00 N ATOM 644 CA GLN A 233 -3.139 0.953 -5.825 1.00 0.00 C ATOM 645 C GLN A 233 -2.663 0.250 -4.553 1.00 0.00 C ATOM 646 O GLN A 233 -3.280 -0.689 -4.093 1.00 0.00 O ATOM 647 CB GLN A 233 -2.378 0.405 -7.030 1.00 0.00 C ATOM 648 CG GLN A 233 -3.054 0.897 -8.311 1.00 0.00 C ATOM 649 CD GLN A 233 -2.167 0.587 -9.518 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.116 -0.006 -9.380 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.547 0.979 -10.704 1.00 0.00 N ATOM 0 H GLN A 233 -2.380 2.813 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.208 0.770 -5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.340 0.735 -7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.367 -0.685 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.025 0.416 -8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.236 1.970 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.430 1.477 -10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.961 0.787 -11.517 1.00 0.00 H new ATOM 660 N ALA A 234 -1.577 0.680 -3.974 1.00 0.00 N ATOM 661 CA ALA A 234 -1.096 0.006 -2.738 1.00 0.00 C ATOM 662 C ALA A 234 -1.998 0.375 -1.559 1.00 0.00 C ATOM 663 O ALA A 234 -2.266 -0.429 -0.690 1.00 0.00 O ATOM 664 CB ALA A 234 0.342 0.435 -2.440 1.00 0.00 C ATOM 0 H ALA A 234 -1.007 1.461 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.126 -1.073 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.689 -0.061 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 234 0.985 0.157 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.377 1.515 -2.298 1.00 0.00 H new ATOM 670 N THR A 235 -2.475 1.585 -1.516 1.00 0.00 N ATOM 671 CA THR A 235 -3.359 1.987 -0.390 1.00 0.00 C ATOM 672 C THR A 235 -4.685 1.230 -0.498 1.00 0.00 C ATOM 673 O THR A 235 -5.379 1.028 0.479 1.00 0.00 O ATOM 674 CB THR A 235 -3.604 3.495 -0.456 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.644 4.166 0.349 1.00 0.00 O ATOM 676 CG2 THR A 235 -5.011 3.821 0.043 1.00 0.00 C ATOM 0 H THR A 235 -2.292 2.311 -2.209 1.00 0.00 H new ATOM 0 HA THR A 235 -2.887 1.745 0.562 1.00 0.00 H new ATOM 0 HB THR A 235 -3.510 3.827 -1.490 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.752 3.803 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.175 4.897 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.745 3.312 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.118 3.486 1.075 1.00 0.00 H new ATOM 684 N CYS A 236 -5.042 0.814 -1.681 1.00 0.00 N ATOM 685 CA CYS A 236 -6.324 0.074 -1.860 1.00 0.00 C ATOM 686 C CYS A 236 -6.052 -1.420 -2.033 1.00 0.00 C ATOM 687 O CYS A 236 -6.442 -2.236 -1.221 1.00 0.00 O ATOM 688 CB CYS A 236 -7.036 0.597 -3.110 1.00 0.00 C ATOM 689 SG CYS A 236 -8.632 -0.235 -3.302 1.00 0.00 S ATOM 0 H CYS A 236 -4.501 0.955 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.947 0.226 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -7.184 1.674 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.418 0.424 -3.991 1.00 0.00 H new ATOM 694 N LEU A 237 -5.407 -1.780 -3.102 1.00 0.00 N ATOM 695 CA LEU A 237 -5.123 -3.217 -3.368 1.00 0.00 C ATOM 696 C LEU A 237 -4.269 -3.819 -2.246 1.00 0.00 C ATOM 697 O LEU A 237 -4.411 -4.978 -1.913 1.00 0.00 O ATOM 698 CB LEU A 237 -4.407 -3.326 -4.712 1.00 0.00 C ATOM 699 CG LEU A 237 -5.270 -2.644 -5.778 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.585 -2.738 -7.140 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.634 -3.334 -5.849 1.00 0.00 C ATOM 0 H LEU A 237 -5.060 -1.135 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 237 -6.057 -3.778 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.427 -2.853 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.242 -4.372 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.402 -1.595 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.204 -2.251 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.614 -2.244 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.447 -3.786 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.248 -2.849 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.498 -4.384 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.129 -3.262 -4.881 1.00 0.00 H new