USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=11 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= -0.0347 X(o=-0.035,f=-0.037) USER MOD Single : A 195 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.6) USER MOD Single : A 198 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.5!) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.8!) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc= 0 K(o=0,f=-1.6!) 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 78:sc= 0.102 USER MOD Single : A 224 LYS NZ :NH3+ 156:sc= -0.323 (180deg=-1.22!) USER MOD Single : A 225 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-12!) USER MOD Single : A 229 LYS NZ :NH3+ -96:sc= -0.308 (180deg=-1.18) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 154:sc= -5.48! (180deg=-5.73!) USER MOD Single : A 233 GLN : amide:sc= -1.5! C(o=-1.5!,f=-1.8!) USER MOD Single : A 235 THR OG1 : rot -130:sc= -0.638 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 14.094 7.856 -0.120 1.00 0.00 N ATOM 19 CA CYS A 189 13.765 6.410 -0.278 1.00 0.00 C ATOM 20 C CYS A 189 12.953 6.205 -1.558 1.00 0.00 C ATOM 21 O CYS A 189 11.743 6.129 -1.527 1.00 0.00 O ATOM 22 CB CYS A 189 12.937 5.944 0.920 1.00 0.00 C ATOM 23 SG CYS A 189 11.982 7.337 1.572 1.00 0.00 S ATOM 0 HA CYS A 189 14.689 5.834 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 189 12.267 5.138 0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 189 13.591 5.544 1.694 1.00 0.00 H new ATOM 28 N ALA A 190 13.608 6.116 -2.682 1.00 0.00 N ATOM 29 CA ALA A 190 12.864 5.918 -3.959 1.00 0.00 C ATOM 30 C ALA A 190 12.196 4.540 -3.959 1.00 0.00 C ATOM 31 O ALA A 190 11.054 4.395 -4.346 1.00 0.00 O ATOM 32 CB ALA A 190 13.839 6.016 -5.133 1.00 0.00 C ATOM 0 H ALA A 190 14.622 6.171 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 190 12.098 6.687 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 190 13.298 5.872 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 190 14.310 6.999 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 190 14.605 5.247 -5.035 1.00 0.00 H new ATOM 38 N SER A 191 12.896 3.525 -3.526 1.00 0.00 N ATOM 39 CA SER A 191 12.292 2.161 -3.503 1.00 0.00 C ATOM 40 C SER A 191 11.076 2.166 -2.575 1.00 0.00 C ATOM 41 O SER A 191 10.113 1.455 -2.787 1.00 0.00 O ATOM 42 CB SER A 191 13.322 1.150 -2.995 1.00 0.00 C ATOM 43 OG SER A 191 14.531 1.303 -3.725 1.00 0.00 O ATOM 0 H SER A 191 13.857 3.581 -3.188 1.00 0.00 H new ATOM 0 HA SER A 191 11.983 1.881 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 191 13.504 1.303 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 191 12.940 0.136 -3.110 1.00 0.00 H new ATOM 0 HG SER A 191 15.193 0.658 -3.400 1.00 0.00 H new ATOM 49 N CYS A 192 11.119 2.963 -1.544 1.00 0.00 N ATOM 50 CA CYS A 192 9.976 3.026 -0.590 1.00 0.00 C ATOM 51 C CYS A 192 9.615 4.495 -0.344 1.00 0.00 C ATOM 52 O CYS A 192 9.986 5.072 0.660 1.00 0.00 O ATOM 53 CB CYS A 192 10.391 2.368 0.728 1.00 0.00 C ATOM 54 SG CYS A 192 10.007 0.599 0.666 1.00 0.00 S ATOM 0 H CYS A 192 11.902 3.577 -1.320 1.00 0.00 H new ATOM 0 HA CYS A 192 9.112 2.503 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 192 11.457 2.514 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 192 9.867 2.836 1.561 1.00 0.00 H new ATOM 59 N PRO A 193 8.913 5.096 -1.267 1.00 0.00 N ATOM 60 CA PRO A 193 8.508 6.532 -1.175 1.00 0.00 C ATOM 61 C PRO A 193 7.707 6.860 0.092 1.00 0.00 C ATOM 62 O PRO A 193 7.651 7.998 0.514 1.00 0.00 O ATOM 63 CB PRO A 193 7.647 6.765 -2.423 1.00 0.00 C ATOM 64 CG PRO A 193 7.971 5.649 -3.360 1.00 0.00 C ATOM 65 CD PRO A 193 8.426 4.469 -2.503 1.00 0.00 C ATOM 0 HA PRO A 193 9.386 7.175 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 193 6.587 6.767 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 193 7.869 7.731 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 193 7.099 5.380 -3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 193 8.755 5.945 -4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 193 7.605 3.780 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 193 9.211 3.896 -2.997 1.00 0.00 H new ATOM 73 N ASN A 194 7.082 5.888 0.703 1.00 0.00 N ATOM 74 CA ASN A 194 6.296 6.188 1.936 1.00 0.00 C ATOM 75 C ASN A 194 6.507 5.080 2.969 1.00 0.00 C ATOM 76 O ASN A 194 6.155 5.223 4.124 1.00 0.00 O ATOM 77 CB ASN A 194 4.810 6.280 1.586 1.00 0.00 C ATOM 78 CG ASN A 194 4.039 6.842 2.782 1.00 0.00 C ATOM 79 OD1 ASN A 194 3.418 6.105 3.522 1.00 0.00 O ATOM 80 ND2 ASN A 194 4.051 8.129 3.005 1.00 0.00 N ATOM 0 H ASN A 194 7.081 4.912 0.407 1.00 0.00 H new ATOM 0 HA ASN A 194 6.633 7.137 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 194 4.669 6.921 0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 194 4.426 5.295 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 194 3.540 8.514 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 194 4.572 8.749 2.385 1.00 0.00 H new ATOM 87 N ASN A 195 7.074 3.978 2.568 1.00 0.00 N ATOM 88 CA ASN A 195 7.304 2.868 3.534 1.00 0.00 C ATOM 89 C ASN A 195 8.663 3.052 4.213 1.00 0.00 C ATOM 90 O ASN A 195 9.085 2.237 5.008 1.00 0.00 O ATOM 91 CB ASN A 195 7.279 1.534 2.784 1.00 0.00 C ATOM 92 CG ASN A 195 5.913 1.345 2.126 1.00 0.00 C ATOM 93 OD1 ASN A 195 4.913 1.820 2.625 1.00 0.00 O ATOM 94 ND2 ASN A 195 5.827 0.667 1.014 1.00 0.00 N ATOM 0 H ASN A 195 7.388 3.797 1.615 1.00 0.00 H new ATOM 0 HA ASN A 195 6.521 2.875 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.064 1.515 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 195 7.479 0.713 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 195 4.920 0.537 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 195 6.666 0.268 0.594 1.00 0.00 H new ATOM 101 N CYS A 196 9.353 4.119 3.910 1.00 0.00 N ATOM 102 CA CYS A 196 10.682 4.350 4.543 1.00 0.00 C ATOM 103 C CYS A 196 10.509 5.165 5.826 1.00 0.00 C ATOM 104 O CYS A 196 10.760 6.354 5.855 1.00 0.00 O ATOM 105 CB CYS A 196 11.584 5.116 3.576 1.00 0.00 C ATOM 106 SG CYS A 196 10.654 6.473 2.823 1.00 0.00 S ATOM 0 H CYS A 196 9.054 4.839 3.252 1.00 0.00 H new ATOM 0 HA CYS A 196 11.136 3.388 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 196 12.453 5.507 4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 196 11.958 4.445 2.803 1.00 0.00 H new ATOM 111 N GLU A 197 10.088 4.538 6.890 1.00 0.00 N ATOM 112 CA GLU A 197 9.910 5.282 8.168 1.00 0.00 C ATOM 113 C GLU A 197 11.271 5.799 8.638 1.00 0.00 C ATOM 114 O GLU A 197 11.382 6.869 9.201 1.00 0.00 O ATOM 115 CB GLU A 197 9.320 4.343 9.224 1.00 0.00 C ATOM 116 CG GLU A 197 7.917 3.913 8.792 1.00 0.00 C ATOM 117 CD GLU A 197 7.020 5.145 8.672 1.00 0.00 C ATOM 118 OE1 GLU A 197 7.337 6.147 9.293 1.00 0.00 O ATOM 119 OE2 GLU A 197 6.035 5.071 7.955 1.00 0.00 O ATOM 0 H GLU A 197 9.860 3.545 6.929 1.00 0.00 H new ATOM 0 HA GLU A 197 9.233 6.123 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 197 9.959 3.469 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 197 9.277 4.845 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 197 7.964 3.390 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 197 7.499 3.215 9.518 1.00 0.00 H new ATOM 127 N ASN A 198 12.307 5.045 8.405 1.00 0.00 N ATOM 128 CA ASN A 198 13.666 5.483 8.825 1.00 0.00 C ATOM 129 C ASN A 198 14.706 4.671 8.054 1.00 0.00 C ATOM 130 O ASN A 198 15.685 4.211 8.606 1.00 0.00 O ATOM 131 CB ASN A 198 13.846 5.242 10.326 1.00 0.00 C ATOM 132 CG ASN A 198 15.034 6.063 10.832 1.00 0.00 C ATOM 133 OD1 ASN A 198 15.489 6.969 10.162 1.00 0.00 O ATOM 134 ND2 ASN A 198 15.561 5.782 11.992 1.00 0.00 N ATOM 0 H ASN A 198 12.271 4.139 7.939 1.00 0.00 H new ATOM 0 HA ASN A 198 13.790 6.545 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 198 12.940 5.524 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 198 14.014 4.182 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 198 16.355 6.323 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 198 15.179 5.022 12.555 1.00 0.00 H new ATOM 141 N GLY A 199 14.492 4.479 6.781 1.00 0.00 N ATOM 142 CA GLY A 199 15.456 3.684 5.970 1.00 0.00 C ATOM 143 C GLY A 199 14.926 2.257 5.830 1.00 0.00 C ATOM 144 O GLY A 199 15.409 1.478 5.032 1.00 0.00 O ATOM 0 H GLY A 199 13.688 4.840 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 199 15.585 4.137 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 199 16.435 3.677 6.448 1.00 0.00 H new ATOM 148 N LEU A 200 13.933 1.912 6.602 1.00 0.00 N ATOM 149 CA LEU A 200 13.366 0.540 6.525 1.00 0.00 C ATOM 150 C LEU A 200 12.023 0.580 5.797 1.00 0.00 C ATOM 151 O LEU A 200 11.243 1.496 5.962 1.00 0.00 O ATOM 152 CB LEU A 200 13.156 0.000 7.939 1.00 0.00 C ATOM 153 CG LEU A 200 14.480 0.023 8.701 1.00 0.00 C ATOM 154 CD1 LEU A 200 14.296 -0.649 10.061 1.00 0.00 C ATOM 155 CD2 LEU A 200 15.540 -0.736 7.899 1.00 0.00 C ATOM 0 H LEU A 200 13.489 2.525 7.285 1.00 0.00 H new ATOM 0 HA LEU A 200 14.055 -0.107 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 200 12.414 0.603 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 200 12.768 -1.018 7.896 1.00 0.00 H new ATOM 0 HG LEU A 200 14.800 1.055 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 200 15.240 -0.633 10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 200 13.539 -0.112 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 200 13.978 -1.681 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 200 16.486 -0.721 8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 200 15.219 -1.768 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 200 15.671 -0.260 6.927 1.00 0.00 H new ATOM 167 N CYS A 201 11.748 -0.410 4.995 1.00 0.00 N ATOM 168 CA CYS A 201 10.456 -0.429 4.259 1.00 0.00 C ATOM 169 C CYS A 201 9.376 -1.052 5.139 1.00 0.00 C ATOM 170 O CYS A 201 9.502 -2.170 5.600 1.00 0.00 O ATOM 171 CB CYS A 201 10.607 -1.253 2.980 1.00 0.00 C ATOM 172 SG CYS A 201 11.484 -0.274 1.736 1.00 0.00 S ATOM 0 H CYS A 201 12.362 -1.205 4.818 1.00 0.00 H new ATOM 0 HA CYS A 201 10.172 0.592 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 201 11.155 -2.172 3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 201 9.626 -1.545 2.604 1.00 0.00 H new ATOM 177 N THR A 202 8.310 -0.339 5.368 1.00 0.00 N ATOM 178 CA THR A 202 7.214 -0.883 6.207 1.00 0.00 C ATOM 179 C THR A 202 5.955 -1.015 5.354 1.00 0.00 C ATOM 180 O THR A 202 5.607 -0.129 4.599 1.00 0.00 O ATOM 181 CB THR A 202 6.949 0.069 7.374 1.00 0.00 C ATOM 182 OG1 THR A 202 6.503 1.319 6.870 1.00 0.00 O ATOM 183 CG2 THR A 202 8.239 0.266 8.171 1.00 0.00 C ATOM 0 H THR A 202 8.152 0.602 5.007 1.00 0.00 H new ATOM 0 HA THR A 202 7.495 -1.861 6.598 1.00 0.00 H new ATOM 0 HB THR A 202 6.183 -0.353 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 202 6.331 1.930 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 202 8.052 0.944 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 202 8.579 -0.695 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 202 9.006 0.690 7.523 1.00 0.00 H new ATOM 191 N ASN A 203 5.273 -2.114 5.464 1.00 0.00 N ATOM 192 CA ASN A 203 4.039 -2.308 4.657 1.00 0.00 C ATOM 193 C ASN A 203 4.414 -2.346 3.175 1.00 0.00 C ATOM 194 O ASN A 203 3.711 -1.829 2.328 1.00 0.00 O ATOM 195 CB ASN A 203 3.070 -1.153 4.915 1.00 0.00 C ATOM 196 CG ASN A 203 1.650 -1.603 4.573 1.00 0.00 C ATOM 197 OD1 ASN A 203 1.360 -2.783 4.571 1.00 0.00 O ATOM 198 ND2 ASN A 203 0.748 -0.710 4.282 1.00 0.00 N ATOM 0 H ASN A 203 5.516 -2.890 6.079 1.00 0.00 H new ATOM 0 HA ASN A 203 3.558 -3.245 4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 203 3.125 -0.843 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 203 3.346 -0.289 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -0.202 -1.001 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 203 0.992 0.280 4.284 1.00 0.00 H new ATOM 239 N PHE A 207 2.255 -3.484 -4.900 1.00 0.00 N ATOM 240 CA PHE A 207 1.697 -2.160 -5.295 1.00 0.00 C ATOM 241 C PHE A 207 2.400 -1.038 -4.538 1.00 0.00 C ATOM 242 O PHE A 207 2.922 -1.232 -3.458 1.00 0.00 O ATOM 243 CB PHE A 207 0.207 -2.110 -4.964 1.00 0.00 C ATOM 244 CG PHE A 207 -0.573 -2.843 -6.019 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.452 -2.463 -7.359 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.410 -3.904 -5.662 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.171 -3.144 -8.345 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.129 -4.587 -6.647 1.00 0.00 C ATOM 249 CZ PHE A 207 -2.009 -4.208 -7.990 1.00 0.00 C ATOM 0 HA PHE A 207 1.851 -2.028 -6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.027 -2.559 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.127 -1.074 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.197 -1.644 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.501 -4.196 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.080 -2.850 -9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.777 -5.407 -6.373 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.563 -4.736 -8.752 1.00 0.00 H new ATOM 259 N GLU A 208 2.409 0.142 -5.095 1.00 0.00 N ATOM 260 CA GLU A 208 3.066 1.282 -4.406 1.00 0.00 C ATOM 261 C GLU A 208 2.175 2.519 -4.498 1.00 0.00 C ATOM 262 O GLU A 208 1.502 2.741 -5.486 1.00 0.00 O ATOM 263 CB GLU A 208 4.417 1.566 -5.059 1.00 0.00 C ATOM 264 CG GLU A 208 5.302 0.323 -4.945 1.00 0.00 C ATOM 265 CD GLU A 208 6.698 0.635 -5.487 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.882 1.722 -6.007 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.560 -0.221 -5.372 1.00 0.00 O ATOM 0 H GLU A 208 1.989 0.363 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 208 3.222 1.030 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.279 1.834 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.898 2.415 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 208 5.368 0.005 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.860 -0.503 -5.503 1.00 0.00 H new ATOM 275 N ASP A 209 2.167 3.330 -3.476 1.00 0.00 N ATOM 276 CA ASP A 209 1.323 4.554 -3.502 1.00 0.00 C ATOM 277 C ASP A 209 2.057 5.652 -4.265 1.00 0.00 C ATOM 278 O ASP A 209 2.978 6.265 -3.762 1.00 0.00 O ATOM 279 CB ASP A 209 1.055 5.023 -2.071 1.00 0.00 C ATOM 280 CG ASP A 209 2.042 4.348 -1.119 1.00 0.00 C ATOM 281 OD1 ASP A 209 1.636 4.005 -0.021 1.00 0.00 O ATOM 282 OD2 ASP A 209 3.188 4.183 -1.505 1.00 0.00 O ATOM 0 H ASP A 209 2.710 3.196 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 209 0.375 4.333 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.155 6.106 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.032 4.780 -1.783 1.00 0.00 H new ATOM 288 N LEU A 210 1.658 5.906 -5.475 1.00 0.00 N ATOM 289 CA LEU A 210 2.330 6.963 -6.271 1.00 0.00 C ATOM 290 C LEU A 210 2.191 8.308 -5.544 1.00 0.00 C ATOM 291 O LEU A 210 3.038 9.171 -5.653 1.00 0.00 O ATOM 292 CB LEU A 210 1.688 7.029 -7.661 1.00 0.00 C ATOM 293 CG LEU A 210 2.186 5.851 -8.508 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.898 4.531 -7.784 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.464 5.849 -9.859 1.00 0.00 C ATOM 0 H LEU A 210 0.893 5.426 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 210 3.390 6.735 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.602 6.995 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.940 7.972 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 210 3.260 5.954 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.254 3.698 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.410 4.524 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.825 4.430 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.819 5.012 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.390 5.751 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.668 6.783 -10.382 1.00 0.00 H new ATOM 307 N LEU A 211 1.131 8.486 -4.794 1.00 0.00 N ATOM 308 CA LEU A 211 0.942 9.769 -4.049 1.00 0.00 C ATOM 309 C LEU A 211 1.004 9.508 -2.541 1.00 0.00 C ATOM 310 O LEU A 211 0.592 8.469 -2.063 1.00 0.00 O ATOM 311 CB LEU A 211 -0.418 10.375 -4.398 1.00 0.00 C ATOM 312 CG LEU A 211 -0.523 10.571 -5.909 1.00 0.00 C ATOM 313 CD1 LEU A 211 -1.845 11.268 -6.239 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.642 11.438 -6.393 1.00 0.00 C ATOM 0 H LEU A 211 0.389 7.798 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 211 1.734 10.462 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.218 9.721 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.543 11.330 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.486 9.601 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -1.923 11.409 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.676 10.654 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -1.879 12.238 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.568 11.578 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.604 12.408 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.585 10.946 -6.155 1.00 0.00 H new ATOM 326 N SER A 212 1.514 10.445 -1.786 1.00 0.00 N ATOM 327 CA SER A 212 1.598 10.252 -0.308 1.00 0.00 C ATOM 328 C SER A 212 0.265 10.622 0.344 1.00 0.00 C ATOM 329 O SER A 212 0.109 10.530 1.546 1.00 0.00 O ATOM 330 CB SER A 212 2.705 11.138 0.265 1.00 0.00 C ATOM 331 OG SER A 212 2.257 12.486 0.298 1.00 0.00 O ATOM 0 H SER A 212 1.876 11.335 -2.128 1.00 0.00 H new ATOM 0 HA SER A 212 1.823 9.206 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 212 2.970 10.806 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.605 11.056 -0.345 1.00 0.00 H new ATOM 0 HG SER A 212 2.963 13.057 0.666 1.00 0.00 H new ATOM 337 N ASN A 213 -0.698 11.035 -0.433 1.00 0.00 N ATOM 338 CA ASN A 213 -2.017 11.401 0.150 1.00 0.00 C ATOM 339 C ASN A 213 -3.010 10.262 -0.085 1.00 0.00 C ATOM 340 O ASN A 213 -4.198 10.405 0.127 1.00 0.00 O ATOM 341 CB ASN A 213 -2.534 12.682 -0.508 1.00 0.00 C ATOM 342 CG ASN A 213 -1.612 13.848 -0.147 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.878 13.779 0.821 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.619 14.921 -0.885 1.00 0.00 N ATOM 0 H ASN A 213 -0.628 11.134 -1.446 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.906 11.570 1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.574 12.557 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.550 12.891 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -1.009 15.704 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -2.235 14.978 -1.696 1.00 0.00 H new ATOM 351 N CYS A 214 -2.532 9.132 -0.527 1.00 0.00 N ATOM 352 CA CYS A 214 -3.449 7.988 -0.782 1.00 0.00 C ATOM 353 C CYS A 214 -4.310 7.728 0.448 1.00 0.00 C ATOM 354 O CYS A 214 -5.512 7.581 0.350 1.00 0.00 O ATOM 355 CB CYS A 214 -2.625 6.746 -1.109 1.00 0.00 C ATOM 356 SG CYS A 214 -2.009 6.895 -2.799 1.00 0.00 S ATOM 0 H CYS A 214 -1.547 8.952 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 214 -4.100 8.226 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.794 6.648 -0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.235 5.849 -1.006 1.00 0.00 H new ATOM 361 N GLU A 215 -3.720 7.685 1.606 1.00 0.00 N ATOM 362 CA GLU A 215 -4.539 7.450 2.823 1.00 0.00 C ATOM 363 C GLU A 215 -5.521 8.613 2.969 1.00 0.00 C ATOM 364 O GLU A 215 -6.659 8.439 3.356 1.00 0.00 O ATOM 365 CB GLU A 215 -3.636 7.383 4.055 1.00 0.00 C ATOM 366 CG GLU A 215 -4.469 6.957 5.266 1.00 0.00 C ATOM 367 CD GLU A 215 -3.628 7.080 6.537 1.00 0.00 C ATOM 368 OE1 GLU A 215 -2.467 7.439 6.425 1.00 0.00 O ATOM 369 OE2 GLU A 215 -4.160 6.815 7.603 1.00 0.00 O ATOM 0 H GLU A 215 -2.719 7.801 1.762 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.078 6.507 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.825 6.674 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.177 8.355 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.359 7.581 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.810 5.929 5.142 1.00 0.00 H new ATOM 377 N SER A 216 -5.081 9.803 2.651 1.00 0.00 N ATOM 378 CA SER A 216 -5.975 10.991 2.753 1.00 0.00 C ATOM 379 C SER A 216 -7.045 10.928 1.661 1.00 0.00 C ATOM 380 O SER A 216 -8.210 11.174 1.903 1.00 0.00 O ATOM 381 CB SER A 216 -5.145 12.261 2.570 1.00 0.00 C ATOM 382 OG SER A 216 -4.249 12.403 3.664 1.00 0.00 O ATOM 0 H SER A 216 -4.136 10.002 2.324 1.00 0.00 H new ATOM 0 HA SER A 216 -6.456 10.999 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.588 12.213 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.800 13.130 2.507 1.00 0.00 H new ATOM 0 HG SER A 216 -3.715 13.216 3.546 1.00 0.00 H new ATOM 388 N LEU A 217 -6.656 10.604 0.457 1.00 0.00 N ATOM 389 CA LEU A 217 -7.646 10.528 -0.655 1.00 0.00 C ATOM 390 C LEU A 217 -8.647 9.413 -0.377 1.00 0.00 C ATOM 391 O LEU A 217 -9.810 9.510 -0.713 1.00 0.00 O ATOM 392 CB LEU A 217 -6.919 10.243 -1.970 1.00 0.00 C ATOM 393 CG LEU A 217 -5.974 11.398 -2.294 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.192 11.076 -3.567 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.789 12.676 -2.510 1.00 0.00 C ATOM 0 H LEU A 217 -5.694 10.388 0.196 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.175 11.478 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.358 9.312 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.641 10.114 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.279 11.542 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.518 11.901 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.613 10.165 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.887 10.933 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.116 13.502 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.482 12.530 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.349 12.908 -1.604 1.00 0.00 H new ATOM 407 N LYS A 218 -8.208 8.347 0.229 1.00 0.00 N ATOM 408 CA LYS A 218 -9.145 7.230 0.513 1.00 0.00 C ATOM 409 C LYS A 218 -10.288 7.742 1.390 1.00 0.00 C ATOM 410 O LYS A 218 -11.444 7.456 1.152 1.00 0.00 O ATOM 411 CB LYS A 218 -8.407 6.119 1.248 1.00 0.00 C ATOM 412 CG LYS A 218 -9.038 4.773 0.889 1.00 0.00 C ATOM 413 CD LYS A 218 -9.330 4.006 2.171 1.00 0.00 C ATOM 414 CE LYS A 218 -8.037 3.862 2.967 1.00 0.00 C ATOM 415 NZ LYS A 218 -7.799 2.424 3.268 1.00 0.00 N ATOM 0 H LYS A 218 -7.247 8.202 0.538 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.544 6.843 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.352 6.124 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.458 6.282 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.958 4.927 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.365 4.199 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.080 4.532 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -9.740 3.023 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -7.200 4.269 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -8.102 4.433 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -6.918 2.324 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -8.593 2.050 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -7.720 1.892 2.378 1.00 0.00 H new ATOM 429 N THR A 219 -9.971 8.499 2.405 1.00 0.00 N ATOM 430 CA THR A 219 -11.035 9.034 3.298 1.00 0.00 C ATOM 431 C THR A 219 -11.885 10.052 2.532 1.00 0.00 C ATOM 432 O THR A 219 -13.083 10.135 2.713 1.00 0.00 O ATOM 433 CB THR A 219 -10.392 9.707 4.514 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.467 8.810 5.114 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.478 10.076 5.526 1.00 0.00 C ATOM 0 H THR A 219 -9.020 8.770 2.654 1.00 0.00 H new ATOM 0 HA THR A 219 -11.672 8.216 3.634 1.00 0.00 H new ATOM 0 HB THR A 219 -9.870 10.610 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.053 9.239 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.021 10.555 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.188 10.762 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.000 9.174 5.844 1.00 0.00 H new ATOM 443 N SER A 220 -11.274 10.833 1.681 1.00 0.00 N ATOM 444 CA SER A 220 -12.049 11.847 0.909 1.00 0.00 C ATOM 445 C SER A 220 -12.670 11.194 -0.327 1.00 0.00 C ATOM 446 O SER A 220 -13.672 11.648 -0.842 1.00 0.00 O ATOM 447 CB SER A 220 -11.115 12.973 0.464 1.00 0.00 C ATOM 448 OG SER A 220 -10.403 13.467 1.590 1.00 0.00 O ATOM 0 H SER A 220 -10.273 10.812 1.487 1.00 0.00 H new ATOM 0 HA SER A 220 -12.839 12.251 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.418 12.606 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.689 13.776 0.002 1.00 0.00 H new ATOM 0 HG SER A 220 -9.676 12.849 1.814 1.00 0.00 H new ATOM 454 N ALA A 221 -12.074 10.139 -0.810 1.00 0.00 N ATOM 455 CA ALA A 221 -12.620 9.462 -2.019 1.00 0.00 C ATOM 456 C ALA A 221 -12.948 8.002 -1.693 1.00 0.00 C ATOM 457 O ALA A 221 -14.067 7.669 -1.359 1.00 0.00 O ATOM 458 CB ALA A 221 -11.576 9.511 -3.135 1.00 0.00 C ATOM 0 H ALA A 221 -11.232 9.716 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.529 9.970 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.970 9.017 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.344 10.550 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.670 9.001 -2.808 1.00 0.00 H new ATOM 464 N GLY A 222 -11.980 7.131 -1.792 1.00 0.00 N ATOM 465 CA GLY A 222 -12.237 5.694 -1.491 1.00 0.00 C ATOM 466 C GLY A 222 -11.227 4.825 -2.243 1.00 0.00 C ATOM 467 O GLY A 222 -10.979 5.020 -3.417 1.00 0.00 O ATOM 0 H GLY A 222 -11.023 7.353 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.158 5.517 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.252 5.426 -1.784 1.00 0.00 H new ATOM 471 N CYS A 223 -10.645 3.864 -1.578 1.00 0.00 N ATOM 472 CA CYS A 223 -9.654 2.977 -2.252 1.00 0.00 C ATOM 473 C CYS A 223 -10.331 2.265 -3.421 1.00 0.00 C ATOM 474 O CYS A 223 -9.768 2.133 -4.490 1.00 0.00 O ATOM 475 CB CYS A 223 -9.123 1.954 -1.247 1.00 0.00 C ATOM 476 SG CYS A 223 -9.679 0.290 -1.699 1.00 0.00 S ATOM 0 H CYS A 223 -10.814 3.654 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.820 3.569 -2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -8.034 1.988 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.472 2.203 -0.245 1.00 0.00 H new ATOM 481 N LYS A 224 -11.540 1.820 -3.236 1.00 0.00 N ATOM 482 CA LYS A 224 -12.255 1.138 -4.345 1.00 0.00 C ATOM 483 C LYS A 224 -12.403 2.120 -5.508 1.00 0.00 C ATOM 484 O LYS A 224 -12.680 1.739 -6.627 1.00 0.00 O ATOM 485 CB LYS A 224 -13.636 0.688 -3.866 1.00 0.00 C ATOM 486 CG LYS A 224 -13.474 -0.357 -2.759 1.00 0.00 C ATOM 487 CD LYS A 224 -14.848 -0.894 -2.354 1.00 0.00 C ATOM 488 CE LYS A 224 -14.692 -1.827 -1.154 1.00 0.00 C ATOM 489 NZ LYS A 224 -13.986 -1.107 -0.057 1.00 0.00 N ATOM 0 H LYS A 224 -12.064 1.899 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 224 -11.693 0.263 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.201 1.543 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.203 0.269 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -12.841 -1.174 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -12.977 0.087 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -15.514 -0.069 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -15.303 -1.429 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -15.670 -2.164 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -14.131 -2.716 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -14.224 -1.545 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -12.959 -1.162 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -14.282 -0.110 -0.050 1.00 0.00 H new ATOM 503 N HIS A 225 -12.227 3.387 -5.242 1.00 0.00 N ATOM 504 CA HIS A 225 -12.365 4.407 -6.321 1.00 0.00 C ATOM 505 C HIS A 225 -11.378 4.095 -7.451 1.00 0.00 C ATOM 506 O HIS A 225 -10.305 3.571 -7.227 1.00 0.00 O ATOM 507 CB HIS A 225 -12.067 5.795 -5.747 1.00 0.00 C ATOM 508 CG HIS A 225 -12.519 6.847 -6.721 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.995 6.942 -8.002 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.443 7.858 -6.618 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.601 7.976 -8.612 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.490 8.565 -7.813 1.00 0.00 N ATOM 0 H HIS A 225 -11.993 3.760 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.381 4.386 -6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.579 5.923 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -10.999 5.899 -5.553 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -14.040 8.070 -5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.393 8.290 -9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -14.081 9.367 -8.033 1.00 0.00 H new ATOM 521 N GLU A 226 -11.743 4.405 -8.665 1.00 0.00 N ATOM 522 CA GLU A 226 -10.841 4.120 -9.821 1.00 0.00 C ATOM 523 C GLU A 226 -9.571 4.972 -9.744 1.00 0.00 C ATOM 524 O GLU A 226 -8.486 4.507 -10.037 1.00 0.00 O ATOM 525 CB GLU A 226 -11.577 4.443 -11.122 1.00 0.00 C ATOM 526 CG GLU A 226 -10.682 4.094 -12.313 1.00 0.00 C ATOM 527 CD GLU A 226 -11.360 4.536 -13.610 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.691 4.549 -14.630 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.537 4.851 -13.563 1.00 0.00 O ATOM 0 H GLU A 226 -12.630 4.845 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.560 3.067 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.508 3.879 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.842 5.500 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.715 4.586 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -10.493 3.021 -12.337 1.00 0.00 H new ATOM 537 N LEU A 227 -9.691 6.216 -9.373 1.00 0.00 N ATOM 538 CA LEU A 227 -8.483 7.085 -9.305 1.00 0.00 C ATOM 539 C LEU A 227 -7.445 6.470 -8.367 1.00 0.00 C ATOM 540 O LEU A 227 -6.270 6.430 -8.673 1.00 0.00 O ATOM 541 CB LEU A 227 -8.881 8.472 -8.805 1.00 0.00 C ATOM 542 CG LEU A 227 -9.596 9.223 -9.929 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.159 10.535 -9.387 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.603 9.525 -11.058 1.00 0.00 C ATOM 0 H LEU A 227 -10.569 6.667 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.047 7.171 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.533 8.386 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -7.997 9.025 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 227 -10.409 8.608 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.669 11.071 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -10.866 10.324 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.345 11.148 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.114 10.060 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.789 10.139 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.199 8.590 -11.447 1.00 0.00 H new ATOM 556 N LEU A 228 -7.862 5.974 -7.238 1.00 0.00 N ATOM 557 CA LEU A 228 -6.888 5.346 -6.306 1.00 0.00 C ATOM 558 C LEU A 228 -6.363 4.062 -6.938 1.00 0.00 C ATOM 559 O LEU A 228 -5.299 3.573 -6.608 1.00 0.00 O ATOM 560 CB LEU A 228 -7.567 5.034 -4.966 1.00 0.00 C ATOM 561 CG LEU A 228 -7.566 6.292 -4.088 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.727 7.201 -4.490 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.720 5.900 -2.615 1.00 0.00 C ATOM 0 H LEU A 228 -8.831 5.976 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.060 6.031 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.589 4.696 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.042 4.224 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.622 6.820 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.724 8.094 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.618 7.490 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.669 6.669 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.718 6.798 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.660 5.366 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.891 5.256 -2.321 1.00 0.00 H new ATOM 575 N LYS A 229 -7.123 3.512 -7.837 1.00 0.00 N ATOM 576 CA LYS A 229 -6.721 2.251 -8.509 1.00 0.00 C ATOM 577 C LYS A 229 -5.542 2.490 -9.460 1.00 0.00 C ATOM 578 O LYS A 229 -5.010 1.558 -10.028 1.00 0.00 O ATOM 579 CB LYS A 229 -7.911 1.719 -9.310 1.00 0.00 C ATOM 580 CG LYS A 229 -7.778 0.206 -9.481 1.00 0.00 C ATOM 581 CD LYS A 229 -7.985 -0.477 -8.126 1.00 0.00 C ATOM 582 CE LYS A 229 -9.044 -1.574 -8.260 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.491 -2.700 -9.062 1.00 0.00 N ATOM 0 H LYS A 229 -8.021 3.889 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.414 1.530 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.843 1.957 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.951 2.203 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.513 -0.156 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.794 -0.041 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.046 -0.905 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.298 0.256 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.343 -1.928 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -9.938 -1.175 -8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -8.781 -2.594 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -7.453 -2.692 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -8.852 -3.601 -8.690 1.00 0.00 H new ATOM 597 N THR A 230 -5.142 3.720 -9.672 1.00 0.00 N ATOM 598 CA THR A 230 -4.013 3.961 -10.621 1.00 0.00 C ATOM 599 C THR A 230 -2.786 4.547 -9.903 1.00 0.00 C ATOM 600 O THR A 230 -1.664 4.276 -10.281 1.00 0.00 O ATOM 601 CB THR A 230 -4.480 4.897 -11.745 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.739 4.618 -12.925 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.276 6.357 -11.345 1.00 0.00 C ATOM 0 H THR A 230 -5.540 4.553 -9.238 1.00 0.00 H new ATOM 0 HA THR A 230 -3.711 3.004 -11.048 1.00 0.00 H new ATOM 0 HB THR A 230 -5.542 4.731 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.035 5.213 -13.646 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.612 7.006 -12.153 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.851 6.571 -10.444 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.219 6.537 -11.151 1.00 0.00 H new ATOM 611 N LYS A 231 -2.969 5.330 -8.871 1.00 0.00 N ATOM 612 CA LYS A 231 -1.779 5.893 -8.156 1.00 0.00 C ATOM 613 C LYS A 231 -1.794 5.414 -6.699 1.00 0.00 C ATOM 614 O LYS A 231 -0.781 5.404 -6.026 1.00 0.00 O ATOM 615 CB LYS A 231 -1.795 7.428 -8.203 1.00 0.00 C ATOM 616 CG LYS A 231 -3.226 7.940 -8.320 1.00 0.00 C ATOM 617 CD LYS A 231 -4.026 7.436 -7.126 1.00 0.00 C ATOM 618 CE LYS A 231 -5.151 8.420 -6.798 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.587 9.791 -6.647 1.00 0.00 N ATOM 0 H LYS A 231 -3.877 5.602 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.871 5.546 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.330 7.831 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.206 7.779 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.236 9.030 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.676 7.593 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.444 6.453 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.371 7.318 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.900 8.409 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.654 8.120 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.322 10.494 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.256 9.925 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -3.789 9.912 -7.303 1.00 0.00 H new ATOM 633 N CYS A 232 -2.935 5.002 -6.215 1.00 0.00 N ATOM 634 CA CYS A 232 -3.026 4.507 -4.810 1.00 0.00 C ATOM 635 C CYS A 232 -3.303 3.005 -4.834 1.00 0.00 C ATOM 636 O CYS A 232 -3.943 2.456 -3.957 1.00 0.00 O ATOM 637 CB CYS A 232 -4.152 5.232 -4.082 1.00 0.00 C ATOM 638 SG CYS A 232 -3.703 6.971 -3.889 1.00 0.00 S ATOM 0 H CYS A 232 -3.812 4.987 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.089 4.699 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.082 5.143 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.324 4.777 -3.107 1.00 0.00 H new ATOM 643 N GLN A 233 -2.826 2.345 -5.846 1.00 0.00 N ATOM 644 CA GLN A 233 -3.045 0.880 -5.980 1.00 0.00 C ATOM 645 C GLN A 233 -2.598 0.149 -4.711 1.00 0.00 C ATOM 646 O GLN A 233 -3.169 -0.853 -4.336 1.00 0.00 O ATOM 647 CB GLN A 233 -2.228 0.383 -7.173 1.00 0.00 C ATOM 648 CG GLN A 233 -2.825 0.962 -8.456 1.00 0.00 C ATOM 649 CD GLN A 233 -1.888 0.692 -9.635 1.00 0.00 C ATOM 650 OE1 GLN A 233 -0.792 0.202 -9.456 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.274 1.004 -10.844 1.00 0.00 N ATOM 0 H GLN A 233 -2.283 2.765 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.106 0.681 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.187 0.688 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.239 -0.706 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.801 0.516 -8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -2.981 2.035 -8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.195 1.416 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.654 0.836 -11.637 1.00 0.00 H new ATOM 660 N ALA A 234 -1.582 0.626 -4.052 1.00 0.00 N ATOM 661 CA ALA A 234 -1.113 -0.070 -2.819 1.00 0.00 C ATOM 662 C ALA A 234 -2.039 0.252 -1.649 1.00 0.00 C ATOM 663 O ALA A 234 -2.304 -0.583 -0.807 1.00 0.00 O ATOM 664 CB ALA A 234 0.310 0.377 -2.490 1.00 0.00 C ATOM 0 H ALA A 234 -1.057 1.462 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.125 -1.146 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.652 -0.132 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 234 0.971 0.128 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.324 1.454 -2.326 1.00 0.00 H new ATOM 670 N THR A 235 -2.532 1.451 -1.588 1.00 0.00 N ATOM 671 CA THR A 235 -3.440 1.823 -0.473 1.00 0.00 C ATOM 672 C THR A 235 -4.764 1.072 -0.625 1.00 0.00 C ATOM 673 O THR A 235 -5.453 0.807 0.339 1.00 0.00 O ATOM 674 CB THR A 235 -3.684 3.332 -0.508 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.652 3.994 0.208 1.00 0.00 O ATOM 676 CG2 THR A 235 -5.039 3.654 0.121 1.00 0.00 C ATOM 0 H THR A 235 -2.346 2.193 -2.263 1.00 0.00 H new ATOM 0 HA THR A 235 -2.988 1.555 0.482 1.00 0.00 H new ATOM 0 HB THR A 235 -3.684 3.674 -1.543 1.00 0.00 H new ATOM 0 HG1 THR A 235 -3.048 4.624 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.207 4.731 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.828 3.149 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.050 3.312 1.156 1.00 0.00 H new ATOM 684 N CYS A 236 -5.129 0.736 -1.830 1.00 0.00 N ATOM 685 CA CYS A 236 -6.412 0.009 -2.045 1.00 0.00 C ATOM 686 C CYS A 236 -6.148 -1.483 -2.247 1.00 0.00 C ATOM 687 O CYS A 236 -6.581 -2.313 -1.472 1.00 0.00 O ATOM 688 CB CYS A 236 -7.097 0.572 -3.295 1.00 0.00 C ATOM 689 SG CYS A 236 -8.762 -0.122 -3.453 1.00 0.00 S ATOM 0 H CYS A 236 -4.595 0.933 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 236 -7.050 0.140 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -7.151 1.659 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.509 0.333 -4.181 1.00 0.00 H new ATOM 694 N LEU A 237 -5.464 -1.829 -3.299 1.00 0.00 N ATOM 695 CA LEU A 237 -5.195 -3.267 -3.581 1.00 0.00 C ATOM 696 C LEU A 237 -4.355 -3.911 -2.471 1.00 0.00 C ATOM 697 O LEU A 237 -4.563 -5.058 -2.128 1.00 0.00 O ATOM 698 CB LEU A 237 -4.470 -3.377 -4.920 1.00 0.00 C ATOM 699 CG LEU A 237 -5.306 -2.681 -5.998 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.597 -2.784 -7.350 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.675 -3.361 -6.092 1.00 0.00 C ATOM 0 H LEU A 237 -5.077 -1.176 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 237 -6.145 -3.801 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.484 -2.917 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.317 -4.424 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.431 -1.630 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.196 -2.287 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.620 -2.305 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.469 -3.834 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.274 -2.869 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.543 -4.411 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.184 -3.288 -5.131 1.00 0.00 H new