USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 471 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 155 GLN : amide:sc= -3.13 K(o=-5.1,f=-14!) USER MOD Set 1.2: A 198 CYS SG : rot 119:sc= 0.496 USER MOD Set 1.3: A 218 CYS SG : rot 178:sc= -2.5 USER MOD Single : A 149 SER OG : rot 140:sc= -1.05 USER MOD Single : A 164 TYR OH : rot -171:sc= -3.62! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot -110:sc= -1.22 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.307 K(o=-0.31,f=-0.98) USER MOD Single : A 193 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.5!) USER MOD Single : A 195 ASN : amide:sc= -3.14! C(o=-3.1!,f=-6.4!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ -150:sc= -0.177 (180deg=-0.811) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl -110:sc= -0.458 (180deg=-0.564) USER MOD Single : A 215 MET CE :methyl 163:sc=-0.00387 (180deg=-0.155) USER MOD Single : A 216 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 219 GLN : amide:sc= -0.0165 X(o=-0.016,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.463 5.056 7.354 1.00 0.00 N ATOM 16 CA SER A 149 -12.174 5.397 7.930 1.00 0.00 C ATOM 17 C SER A 149 -11.047 4.861 7.043 1.00 0.00 C ATOM 18 O SER A 149 -11.297 4.106 6.105 1.00 0.00 O ATOM 19 CB SER A 149 -12.040 4.843 9.350 1.00 0.00 C ATOM 20 OG SER A 149 -11.070 5.556 10.113 1.00 0.00 O ATOM 0 HA SER A 149 -12.101 6.483 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.006 4.896 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.762 3.790 9.303 1.00 0.00 H new ATOM 0 HG SER A 149 -11.398 5.676 11.029 1.00 0.00 H new ATOM 26 N ILE A 150 -9.831 5.273 7.373 1.00 0.00 N ATOM 27 CA ILE A 150 -8.666 4.845 6.619 1.00 0.00 C ATOM 28 C ILE A 150 -8.283 3.425 7.044 1.00 0.00 C ATOM 29 O ILE A 150 -7.555 2.736 6.331 1.00 0.00 O ATOM 30 CB ILE A 150 -7.530 5.859 6.765 1.00 0.00 C ATOM 31 CG1 ILE A 150 -8.045 7.288 6.591 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.385 5.542 5.802 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.370 7.581 5.126 1.00 0.00 C ATOM 0 H ILE A 150 -9.628 5.899 8.153 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.894 4.809 5.554 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.131 5.781 7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.937 7.433 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.296 7.994 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.591 6.278 5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.995 4.547 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.753 5.575 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.734 8.604 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.471 7.459 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -9.137 6.889 4.778 1.00 0.00 H new ATOM 45 N LEU A 151 -8.790 3.032 8.202 1.00 0.00 N ATOM 46 CA LEU A 151 -8.509 1.708 8.731 1.00 0.00 C ATOM 47 C LEU A 151 -9.145 0.655 7.819 1.00 0.00 C ATOM 48 O LEU A 151 -8.607 -0.439 7.662 1.00 0.00 O ATOM 49 CB LEU A 151 -8.956 1.607 10.190 1.00 0.00 C ATOM 50 CG LEU A 151 -10.467 1.550 10.427 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.901 0.150 10.864 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.908 2.624 11.424 1.00 0.00 C ATOM 0 H LEU A 151 -9.394 3.607 8.790 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.435 1.520 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.506 0.715 10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.555 2.464 10.732 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.968 1.763 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.979 0.137 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.642 -0.570 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.392 -0.116 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.986 2.561 11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.400 2.468 12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.653 3.609 11.034 1.00 0.00 H new ATOM 64 N ASP A 152 -10.280 1.024 7.244 1.00 0.00 N ATOM 65 CA ASP A 152 -10.993 0.125 6.352 1.00 0.00 C ATOM 66 C ASP A 152 -10.177 -0.071 5.072 1.00 0.00 C ATOM 67 O ASP A 152 -10.432 -0.998 4.305 1.00 0.00 O ATOM 68 CB ASP A 152 -12.354 0.703 5.962 1.00 0.00 C ATOM 69 CG ASP A 152 -13.472 -0.330 5.797 1.00 0.00 C ATOM 70 OD1 ASP A 152 -14.506 -0.266 6.479 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.245 -1.241 4.913 1.00 0.00 O ATOM 0 H ASP A 152 -10.724 1.933 7.378 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.139 -0.822 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.656 1.425 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.245 1.251 5.026 1.00 0.00 H new ATOM 77 N ILE A 153 -9.212 0.817 4.883 1.00 0.00 N ATOM 78 CA ILE A 153 -8.357 0.753 3.709 1.00 0.00 C ATOM 79 C ILE A 153 -7.193 -0.200 3.983 1.00 0.00 C ATOM 80 O ILE A 153 -6.196 0.192 4.589 1.00 0.00 O ATOM 81 CB ILE A 153 -7.918 2.157 3.290 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.113 2.986 2.811 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.808 2.094 2.239 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.203 3.045 3.881 1.00 0.00 C ATOM 0 H ILE A 153 -9.003 1.584 5.522 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.906 0.349 2.858 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.506 2.660 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.784 3.996 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.519 2.552 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.515 3.106 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.947 1.567 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.171 1.564 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.040 3.640 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.546 2.035 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.801 3.502 4.785 1.00 0.00 H new ATOM 96 N ARG A 154 -7.356 -1.431 3.523 1.00 0.00 N ATOM 97 CA ARG A 154 -6.330 -2.443 3.711 1.00 0.00 C ATOM 98 C ARG A 154 -5.910 -3.029 2.361 1.00 0.00 C ATOM 99 O ARG A 154 -6.634 -2.909 1.375 1.00 0.00 O ATOM 100 CB ARG A 154 -6.827 -3.571 4.617 1.00 0.00 C ATOM 101 CG ARG A 154 -5.709 -4.076 5.530 1.00 0.00 C ATOM 102 CD ARG A 154 -6.062 -5.438 6.130 1.00 0.00 C ATOM 103 NE ARG A 154 -6.892 -5.258 7.342 1.00 0.00 N ATOM 104 CZ ARG A 154 -7.714 -6.204 7.843 1.00 0.00 C ATOM 105 NH1 ARG A 154 -7.823 -7.407 7.239 1.00 0.00 N ATOM 106 NH2 ARG A 154 -8.410 -5.935 8.932 1.00 0.00 N ATOM 0 H ARG A 154 -8.184 -1.751 3.020 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.474 -1.963 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.662 -3.215 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.202 -4.393 4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.780 -4.154 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.536 -3.356 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.600 -6.039 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.151 -5.981 6.381 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.840 -4.363 7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.282 -7.606 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -8.447 -8.116 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -8.322 -5.024 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.036 -6.639 9.324 1.00 0.00 H new ATOM 120 N GLN A 155 -4.740 -3.652 2.362 1.00 0.00 N ATOM 121 CA GLN A 155 -4.215 -4.259 1.151 1.00 0.00 C ATOM 122 C GLN A 155 -4.541 -5.753 1.120 1.00 0.00 C ATOM 123 O GLN A 155 -3.812 -6.563 1.687 1.00 0.00 O ATOM 124 CB GLN A 155 -2.708 -4.024 1.029 1.00 0.00 C ATOM 125 CG GLN A 155 -2.144 -4.713 -0.214 1.00 0.00 C ATOM 126 CD GLN A 155 -0.757 -5.295 0.062 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.014 -4.821 0.906 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.449 -6.346 -0.693 1.00 0.00 N ATOM 0 H GLN A 155 -4.141 -3.749 3.182 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.694 -3.785 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.506 -2.954 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.204 -4.402 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.819 -5.508 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.085 -3.998 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.117 -6.693 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.455 -6.805 -0.583 1.00 0.00 H new ATOM 196 N PRO A 160 -5.417 -5.786 -5.764 1.00 0.00 N ATOM 197 CA PRO A 160 -4.195 -5.166 -6.248 1.00 0.00 C ATOM 198 C PRO A 160 -3.825 -3.948 -5.399 1.00 0.00 C ATOM 199 O PRO A 160 -4.702 -3.271 -4.863 1.00 0.00 O ATOM 200 CB PRO A 160 -4.480 -4.814 -7.698 1.00 0.00 C ATOM 201 CG PRO A 160 -5.993 -4.825 -7.841 1.00 0.00 C ATOM 202 CD PRO A 160 -6.572 -5.509 -6.612 1.00 0.00 C ATOM 0 HA PRO A 160 -3.331 -5.826 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.071 -3.835 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.019 -5.535 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.376 -3.808 -7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.287 -5.355 -8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.292 -4.867 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.096 -6.427 -6.879 1.00 0.00 H new ATOM 210 N PHE A 161 -2.526 -3.707 -5.302 1.00 0.00 N ATOM 211 CA PHE A 161 -2.029 -2.582 -4.528 1.00 0.00 C ATOM 212 C PHE A 161 -2.596 -1.261 -5.053 1.00 0.00 C ATOM 213 O PHE A 161 -2.741 -0.301 -4.299 1.00 0.00 O ATOM 214 CB PHE A 161 -0.507 -2.568 -4.685 1.00 0.00 C ATOM 215 CG PHE A 161 0.196 -1.502 -3.843 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.093 -1.528 -2.487 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.921 -0.525 -4.450 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.746 -0.539 -1.706 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.573 0.466 -3.669 1.00 0.00 C ATOM 220 CZ PHE A 161 1.472 0.438 -2.313 1.00 0.00 C ATOM 0 H PHE A 161 -1.802 -4.272 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.330 -2.687 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.115 -3.548 -4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.262 -2.407 -5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.486 -2.302 -2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.001 -0.503 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.666 -0.562 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.149 1.242 -4.152 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.968 1.191 -1.719 1.00 0.00 H new ATOM 230 N ARG A 162 -2.901 -1.257 -6.342 1.00 0.00 N ATOM 231 CA ARG A 162 -3.448 -0.070 -6.977 1.00 0.00 C ATOM 232 C ARG A 162 -4.823 0.258 -6.393 1.00 0.00 C ATOM 233 O ARG A 162 -5.109 1.412 -6.080 1.00 0.00 O ATOM 234 CB ARG A 162 -3.576 -0.263 -8.490 1.00 0.00 C ATOM 235 CG ARG A 162 -3.184 1.011 -9.242 1.00 0.00 C ATOM 236 CD ARG A 162 -4.149 1.285 -10.395 1.00 0.00 C ATOM 237 NE ARG A 162 -3.661 2.425 -11.204 1.00 0.00 N ATOM 238 CZ ARG A 162 -4.056 2.679 -12.470 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.950 1.875 -13.083 1.00 0.00 N ATOM 240 NH2 ARG A 162 -3.554 3.726 -13.099 1.00 0.00 N ATOM 0 H ARG A 162 -2.780 -2.056 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.762 0.755 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.940 -1.088 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.601 -0.536 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.183 1.857 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.169 0.912 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.242 0.398 -11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.143 1.505 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.984 3.058 -10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.333 1.068 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.243 2.074 -14.040 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -2.879 4.328 -12.628 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.841 3.932 -14.056 1.00 0.00 H new ATOM 254 N ASP A 163 -5.639 -0.779 -6.266 1.00 0.00 N ATOM 255 CA ASP A 163 -6.978 -0.615 -5.725 1.00 0.00 C ATOM 256 C ASP A 163 -6.882 -0.219 -4.251 1.00 0.00 C ATOM 257 O ASP A 163 -7.712 0.542 -3.754 1.00 0.00 O ATOM 258 CB ASP A 163 -7.770 -1.920 -5.814 1.00 0.00 C ATOM 259 CG ASP A 163 -8.638 -2.068 -7.065 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.804 -1.115 -7.843 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.162 -3.234 -7.231 1.00 0.00 O ATOM 0 H ASP A 163 -5.399 -1.735 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.486 0.155 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.070 -2.755 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.410 -1.999 -4.935 1.00 0.00 H new ATOM 267 N TYR A 164 -5.865 -0.752 -3.591 1.00 0.00 N ATOM 268 CA TYR A 164 -5.650 -0.464 -2.183 1.00 0.00 C ATOM 269 C TYR A 164 -5.272 1.005 -1.976 1.00 0.00 C ATOM 270 O TYR A 164 -5.737 1.643 -1.033 1.00 0.00 O ATOM 271 CB TYR A 164 -4.480 -1.346 -1.745 1.00 0.00 C ATOM 272 CG TYR A 164 -3.956 -1.035 -0.342 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.840 -0.897 0.709 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.601 -0.891 -0.127 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.347 -0.602 2.031 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.108 -0.598 1.194 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.006 -0.468 2.206 1.00 0.00 C ATOM 278 OH TYR A 164 -2.540 -0.190 3.454 1.00 0.00 O ATOM 0 H TYR A 164 -5.179 -1.383 -4.006 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.556 -0.658 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.792 -2.390 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.665 -1.231 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.901 -1.010 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.910 -0.998 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.027 -0.490 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.050 -0.484 1.376 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.584 0.019 3.407 1.00 0.00 H new ATOM 288 N VAL A 165 -4.430 1.497 -2.872 1.00 0.00 N ATOM 289 CA VAL A 165 -3.983 2.877 -2.800 1.00 0.00 C ATOM 290 C VAL A 165 -5.160 3.807 -3.108 1.00 0.00 C ATOM 291 O VAL A 165 -5.338 4.829 -2.448 1.00 0.00 O ATOM 292 CB VAL A 165 -2.791 3.092 -3.736 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.647 4.569 -4.111 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.500 2.557 -3.111 1.00 0.00 C ATOM 0 H VAL A 165 -4.045 0.964 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.636 3.113 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.978 2.531 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.793 4.694 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.552 4.906 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.493 5.160 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.668 2.722 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.307 3.078 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.605 1.489 -2.918 1.00 0.00 H new ATOM 304 N ASP A 166 -5.931 3.419 -4.113 1.00 0.00 N ATOM 305 CA ASP A 166 -7.085 4.204 -4.516 1.00 0.00 C ATOM 306 C ASP A 166 -8.029 4.365 -3.323 1.00 0.00 C ATOM 307 O ASP A 166 -8.530 5.460 -3.067 1.00 0.00 O ATOM 308 CB ASP A 166 -7.858 3.510 -5.640 1.00 0.00 C ATOM 309 CG ASP A 166 -8.774 4.424 -6.456 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.933 4.660 -6.086 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.244 4.911 -7.527 1.00 0.00 O ATOM 0 H ASP A 166 -5.779 2.572 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.728 5.172 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.143 3.040 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.460 2.711 -5.207 1.00 0.00 H new ATOM 317 N ARG A 167 -8.244 3.259 -2.625 1.00 0.00 N ATOM 318 CA ARG A 167 -9.119 3.265 -1.466 1.00 0.00 C ATOM 319 C ARG A 167 -8.540 4.159 -0.368 1.00 0.00 C ATOM 320 O ARG A 167 -9.263 4.940 0.248 1.00 0.00 O ATOM 321 CB ARG A 167 -9.312 1.850 -0.914 1.00 0.00 C ATOM 322 CG ARG A 167 -10.786 1.577 -0.608 1.00 0.00 C ATOM 323 CD ARG A 167 -11.298 0.379 -1.410 1.00 0.00 C ATOM 324 NE ARG A 167 -11.826 0.833 -2.717 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.027 0.020 -3.776 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.746 -1.298 -3.691 1.00 0.00 N ATOM 327 NH2 ARG A 167 -12.502 0.533 -4.895 1.00 0.00 N ATOM 0 H ARG A 167 -7.827 2.353 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 167 -10.087 3.654 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.946 1.121 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.720 1.725 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.911 1.386 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.380 2.459 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.491 -0.338 -1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -12.080 -0.136 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 167 -12.052 1.822 -2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -11.379 -1.686 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -11.901 -1.905 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.711 1.530 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.660 -0.067 -5.705 1.00 0.00 H new ATOM 341 N PHE A 168 -7.241 4.014 -0.155 1.00 0.00 N ATOM 342 CA PHE A 168 -6.555 4.799 0.859 1.00 0.00 C ATOM 343 C PHE A 168 -6.715 6.297 0.593 1.00 0.00 C ATOM 344 O PHE A 168 -7.037 7.061 1.501 1.00 0.00 O ATOM 345 CB PHE A 168 -5.072 4.434 0.779 1.00 0.00 C ATOM 346 CG PHE A 168 -4.215 5.073 1.873 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.718 6.328 1.703 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.949 4.386 3.016 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.924 6.921 2.718 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.153 4.980 4.032 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.657 6.235 3.861 1.00 0.00 C ATOM 0 H PHE A 168 -6.644 3.364 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.974 4.585 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.971 3.350 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.686 4.737 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.928 6.873 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.343 3.389 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.531 7.918 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.942 4.435 4.940 1.00 0.00 H new ATOM 0 HZ PHE A 168 -2.051 6.686 4.633 1.00 0.00 H new ATOM 361 N TYR A 169 -6.484 6.672 -0.658 1.00 0.00 N ATOM 362 CA TYR A 169 -6.597 8.064 -1.055 1.00 0.00 C ATOM 363 C TYR A 169 -8.064 8.482 -1.177 1.00 0.00 C ATOM 364 O TYR A 169 -8.382 9.669 -1.129 1.00 0.00 O ATOM 365 CB TYR A 169 -5.933 8.166 -2.429 1.00 0.00 C ATOM 366 CG TYR A 169 -4.405 8.223 -2.380 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.702 7.277 -1.660 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.729 9.220 -3.055 1.00 0.00 C ATOM 369 CE1 TYR A 169 -2.264 7.329 -1.614 1.00 0.00 C ATOM 370 CE2 TYR A 169 -2.290 9.272 -3.009 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.629 8.324 -2.290 1.00 0.00 C ATOM 372 OH TYR A 169 -0.271 8.374 -2.246 1.00 0.00 O ATOM 0 H TYR A 169 -6.219 6.035 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 169 -6.128 8.713 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -6.235 7.309 -3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -6.303 9.058 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -4.231 6.498 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -4.279 9.960 -3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.702 6.595 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.748 10.045 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 169 0.046 9.136 -2.775 1.00 0.00 H new ATOM 382 N LYS A 170 -8.919 7.482 -1.333 1.00 0.00 N ATOM 383 CA LYS A 170 -10.344 7.729 -1.463 1.00 0.00 C ATOM 384 C LYS A 170 -10.908 8.164 -0.109 1.00 0.00 C ATOM 385 O LYS A 170 -11.679 9.119 -0.031 1.00 0.00 O ATOM 386 CB LYS A 170 -11.048 6.510 -2.059 1.00 0.00 C ATOM 387 CG LYS A 170 -11.351 6.721 -3.543 1.00 0.00 C ATOM 388 CD LYS A 170 -12.343 5.675 -4.056 1.00 0.00 C ATOM 389 CE LYS A 170 -12.716 5.941 -5.516 1.00 0.00 C ATOM 390 NZ LYS A 170 -14.115 5.533 -5.776 1.00 0.00 N ATOM 0 H LYS A 170 -8.651 6.498 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.526 8.546 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.421 5.627 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.975 6.321 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.760 7.720 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -10.427 6.663 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.908 4.680 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -13.242 5.688 -3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.592 7.000 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.043 5.393 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -14.352 5.720 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -14.223 4.517 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -14.755 6.074 -5.160 1.00 0.00 H new ATOM 404 N THR A 171 -10.501 7.440 0.925 1.00 0.00 N ATOM 405 CA THR A 171 -10.955 7.740 2.272 1.00 0.00 C ATOM 406 C THR A 171 -10.250 8.987 2.810 1.00 0.00 C ATOM 407 O THR A 171 -10.859 9.798 3.504 1.00 0.00 O ATOM 408 CB THR A 171 -10.729 6.495 3.134 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.661 5.546 2.624 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.164 6.702 4.586 1.00 0.00 C ATOM 0 H THR A 171 -9.863 6.648 0.856 1.00 0.00 H new ATOM 0 HA THR A 171 -12.019 7.977 2.287 1.00 0.00 H new ATOM 0 HB THR A 171 -9.674 6.221 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 171 -12.370 5.397 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.982 5.789 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.593 7.521 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.227 6.943 4.617 1.00 0.00 H new ATOM 418 N LEU A 172 -8.975 9.100 2.466 1.00 0.00 N ATOM 419 CA LEU A 172 -8.181 10.235 2.905 1.00 0.00 C ATOM 420 C LEU A 172 -8.845 11.531 2.433 1.00 0.00 C ATOM 421 O LEU A 172 -8.971 12.482 3.202 1.00 0.00 O ATOM 422 CB LEU A 172 -6.730 10.084 2.442 1.00 0.00 C ATOM 423 CG LEU A 172 -6.320 10.930 1.234 1.00 0.00 C ATOM 424 CD1 LEU A 172 -6.364 12.422 1.571 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.949 10.502 0.706 1.00 0.00 C ATOM 0 H LEU A 172 -8.473 8.425 1.889 1.00 0.00 H new ATOM 0 HA LEU A 172 -8.143 10.275 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -6.075 10.336 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.553 9.035 2.203 1.00 0.00 H new ATOM 0 HG LEU A 172 -7.041 10.758 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -6.068 13.001 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -7.377 12.699 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.678 12.630 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.681 11.118 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -4.202 10.627 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.986 9.455 0.403 1.00 0.00 H new ATOM 437 N ARG A 173 -9.254 11.523 1.173 1.00 0.00 N ATOM 438 CA ARG A 173 -9.901 12.687 0.590 1.00 0.00 C ATOM 439 C ARG A 173 -11.396 12.679 0.917 1.00 0.00 C ATOM 440 O ARG A 173 -12.158 13.475 0.369 1.00 0.00 O ATOM 441 CB ARG A 173 -9.718 12.715 -0.929 1.00 0.00 C ATOM 442 CG ARG A 173 -8.925 13.952 -1.361 1.00 0.00 C ATOM 443 CD ARG A 173 -7.962 13.613 -2.500 1.00 0.00 C ATOM 444 NE ARG A 173 -8.579 13.952 -3.802 1.00 0.00 N ATOM 445 CZ ARG A 173 -7.955 13.821 -4.992 1.00 0.00 C ATOM 446 NH1 ARG A 173 -6.689 13.358 -5.055 1.00 0.00 N ATOM 447 NH2 ARG A 173 -8.602 14.154 -6.094 1.00 0.00 N ATOM 0 H ARG A 173 -9.150 10.730 0.540 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.436 13.576 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.198 11.813 -1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.693 12.714 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.612 14.736 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -8.366 14.345 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.030 14.164 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.711 12.553 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 173 -9.535 14.307 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -6.196 13.104 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.225 13.262 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -9.558 14.504 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -8.145 14.061 -7.001 1.00 0.00 H new ATOM 461 N ALA A 174 -11.771 11.773 1.807 1.00 0.00 N ATOM 462 CA ALA A 174 -13.161 11.652 2.213 1.00 0.00 C ATOM 463 C ALA A 174 -13.371 12.406 3.527 1.00 0.00 C ATOM 464 O ALA A 174 -14.494 12.788 3.854 1.00 0.00 O ATOM 465 CB ALA A 174 -13.534 10.173 2.324 1.00 0.00 C ATOM 0 H ALA A 174 -11.136 11.115 2.259 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.819 12.099 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.577 10.083 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.395 9.689 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.896 9.692 3.066 1.00 0.00 H new ATOM 630 N THR A 186 1.354 9.581 5.196 1.00 0.00 N ATOM 631 CA THR A 186 0.486 8.792 4.339 1.00 0.00 C ATOM 632 C THR A 186 1.131 7.441 4.027 1.00 0.00 C ATOM 633 O THR A 186 0.657 6.402 4.485 1.00 0.00 O ATOM 634 CB THR A 186 0.174 9.619 3.090 1.00 0.00 C ATOM 635 OG1 THR A 186 -1.119 10.159 3.346 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.025 8.749 1.847 1.00 0.00 C ATOM 0 HA THR A 186 -0.456 8.561 4.836 1.00 0.00 H new ATOM 0 HB THR A 186 0.983 10.327 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.399 10.711 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.244 9.385 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.883 8.178 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.856 8.064 2.012 1.00 0.00 H new ATOM 644 N GLU A 187 2.203 7.497 3.250 1.00 0.00 N ATOM 645 CA GLU A 187 2.918 6.291 2.872 1.00 0.00 C ATOM 646 C GLU A 187 3.119 5.388 4.091 1.00 0.00 C ATOM 647 O GLU A 187 3.160 4.165 3.961 1.00 0.00 O ATOM 648 CB GLU A 187 4.258 6.630 2.216 1.00 0.00 C ATOM 649 CG GLU A 187 4.933 5.372 1.665 1.00 0.00 C ATOM 650 CD GLU A 187 4.663 5.216 0.167 1.00 0.00 C ATOM 651 OE1 GLU A 187 3.665 4.592 -0.221 1.00 0.00 O ATOM 652 OE2 GLU A 187 5.534 5.772 -0.605 1.00 0.00 O ATOM 0 H GLU A 187 2.594 8.360 2.872 1.00 0.00 H new ATOM 0 HA GLU A 187 2.317 5.752 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.101 7.346 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.913 7.109 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.007 5.425 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.566 4.495 2.198 1.00 0.00 H new ATOM 660 N THR A 188 3.238 6.026 5.246 1.00 0.00 N ATOM 661 CA THR A 188 3.432 5.294 6.487 1.00 0.00 C ATOM 662 C THR A 188 2.153 4.551 6.874 1.00 0.00 C ATOM 663 O THR A 188 2.208 3.411 7.335 1.00 0.00 O ATOM 664 CB THR A 188 3.904 6.288 7.551 1.00 0.00 C ATOM 665 OG1 THR A 188 5.151 5.757 7.992 1.00 0.00 O ATOM 666 CG2 THR A 188 3.025 6.265 8.803 1.00 0.00 C ATOM 0 H THR A 188 3.204 7.040 5.349 1.00 0.00 H new ATOM 0 HA THR A 188 4.196 4.524 6.378 1.00 0.00 H new ATOM 0 HB THR A 188 3.912 7.294 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.529 6.341 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.403 6.988 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.001 6.523 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.044 5.268 9.243 1.00 0.00 H new ATOM 674 N LEU A 189 1.030 5.226 6.674 1.00 0.00 N ATOM 675 CA LEU A 189 -0.261 4.642 6.997 1.00 0.00 C ATOM 676 C LEU A 189 -0.589 3.546 5.981 1.00 0.00 C ATOM 677 O LEU A 189 -0.997 2.449 6.358 1.00 0.00 O ATOM 678 CB LEU A 189 -1.331 5.733 7.093 1.00 0.00 C ATOM 679 CG LEU A 189 -1.754 6.133 8.508 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.533 6.392 9.393 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.704 7.333 8.476 1.00 0.00 C ATOM 0 H LEU A 189 0.988 6.171 6.293 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.231 4.168 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.963 6.622 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.215 5.396 6.552 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.301 5.300 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -0.862 6.675 10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 189 0.072 5.487 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.062 7.199 8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.990 7.598 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -2.204 8.181 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.595 7.076 7.904 1.00 0.00 H new ATOM 693 N LEU A 190 -0.398 3.883 4.714 1.00 0.00 N ATOM 694 CA LEU A 190 -0.669 2.939 3.641 1.00 0.00 C ATOM 695 C LEU A 190 0.189 1.688 3.838 1.00 0.00 C ATOM 696 O LEU A 190 -0.296 0.568 3.690 1.00 0.00 O ATOM 697 CB LEU A 190 -0.476 3.609 2.279 1.00 0.00 C ATOM 698 CG LEU A 190 -0.631 2.700 1.057 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.969 2.948 0.357 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.553 2.859 0.102 1.00 0.00 C ATOM 0 H LEU A 190 -0.060 4.795 4.406 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.710 2.618 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.193 4.426 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.519 4.054 2.253 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.632 1.665 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -2.055 2.290 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.785 2.745 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -2.021 3.986 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.418 2.202 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.611 3.893 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.475 2.595 0.619 1.00 0.00 H new ATOM 712 N VAL A 191 1.451 1.921 4.172 1.00 0.00 N ATOM 713 CA VAL A 191 2.381 0.827 4.391 1.00 0.00 C ATOM 714 C VAL A 191 1.983 0.072 5.661 1.00 0.00 C ATOM 715 O VAL A 191 1.933 -1.157 5.667 1.00 0.00 O ATOM 716 CB VAL A 191 3.815 1.360 4.437 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.785 0.282 4.925 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.241 1.904 3.072 1.00 0.00 C ATOM 0 H VAL A 191 1.850 2.851 4.296 1.00 0.00 H new ATOM 0 HA VAL A 191 2.338 0.118 3.564 1.00 0.00 H new ATOM 0 HB VAL A 191 3.844 2.184 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.797 0.687 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.499 -0.038 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.751 -0.571 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.264 2.277 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.188 1.107 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.575 2.716 2.780 1.00 0.00 H new ATOM 728 N GLN A 192 1.710 0.839 6.706 1.00 0.00 N ATOM 729 CA GLN A 192 1.317 0.258 7.979 1.00 0.00 C ATOM 730 C GLN A 192 0.000 -0.504 7.832 1.00 0.00 C ATOM 731 O GLN A 192 -0.181 -1.560 8.434 1.00 0.00 O ATOM 732 CB GLN A 192 1.211 1.334 9.062 1.00 0.00 C ATOM 733 CG GLN A 192 2.592 1.693 9.617 1.00 0.00 C ATOM 734 CD GLN A 192 2.507 2.897 10.557 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.440 3.341 10.947 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.691 3.400 10.898 1.00 0.00 N ATOM 0 H GLN A 192 1.753 1.858 6.698 1.00 0.00 H new ATOM 0 HA GLN A 192 2.088 -0.448 8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.738 2.225 8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.571 0.980 9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 192 3.007 0.838 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.272 1.916 8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.547 2.980 10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.742 4.205 11.522 1.00 0.00 H new ATOM 745 N ASN A 193 -0.888 0.062 7.026 1.00 0.00 N ATOM 746 CA ASN A 193 -2.184 -0.551 6.791 1.00 0.00 C ATOM 747 C ASN A 193 -2.074 -1.534 5.624 1.00 0.00 C ATOM 748 O ASN A 193 -3.086 -1.990 5.095 1.00 0.00 O ATOM 749 CB ASN A 193 -3.233 0.502 6.426 1.00 0.00 C ATOM 750 CG ASN A 193 -4.619 0.091 6.926 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.320 0.845 7.581 1.00 0.00 O ATOM 752 ND2 ASN A 193 -4.973 -1.144 6.584 1.00 0.00 N ATOM 0 H ASN A 193 -0.735 0.939 6.528 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.488 -1.060 7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -2.956 1.463 6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.258 0.636 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -5.880 -1.513 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -4.338 -1.723 6.034 1.00 0.00 H new ATOM 759 N ALA A 194 -0.835 -1.833 5.258 1.00 0.00 N ATOM 760 CA ALA A 194 -0.581 -2.753 4.163 1.00 0.00 C ATOM 761 C ALA A 194 -0.548 -4.185 4.704 1.00 0.00 C ATOM 762 O ALA A 194 -0.544 -4.394 5.917 1.00 0.00 O ATOM 763 CB ALA A 194 0.722 -2.366 3.463 1.00 0.00 C ATOM 0 H ALA A 194 0.002 -1.454 5.700 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.379 -2.697 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.913 -3.056 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.638 -1.352 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.546 -2.414 4.175 1.00 0.00 H new ATOM 769 N ASN A 195 -0.526 -5.133 3.779 1.00 0.00 N ATOM 770 CA ASN A 195 -0.494 -6.538 4.147 1.00 0.00 C ATOM 771 C ASN A 195 0.799 -6.830 4.912 1.00 0.00 C ATOM 772 O ASN A 195 1.649 -5.955 5.058 1.00 0.00 O ATOM 773 CB ASN A 195 -0.523 -7.434 2.908 1.00 0.00 C ATOM 774 CG ASN A 195 -1.786 -8.298 2.886 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.634 -8.227 3.761 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.862 -9.118 1.843 1.00 0.00 N ATOM 0 H ASN A 195 -0.530 -4.955 2.775 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.370 -6.746 4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.483 -6.819 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.360 -8.073 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.665 -9.738 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.117 -9.127 1.146 1.00 0.00 H new ATOM 783 N PRO A 196 0.909 -8.099 5.391 1.00 0.00 N ATOM 784 CA PRO A 196 2.084 -8.519 6.135 1.00 0.00 C ATOM 785 C PRO A 196 3.278 -8.731 5.203 1.00 0.00 C ATOM 786 O PRO A 196 4.343 -8.154 5.413 1.00 0.00 O ATOM 787 CB PRO A 196 1.660 -9.788 6.856 1.00 0.00 C ATOM 788 CG PRO A 196 0.422 -10.287 6.128 1.00 0.00 C ATOM 789 CD PRO A 196 -0.079 -9.164 5.236 1.00 0.00 C ATOM 0 HA PRO A 196 2.422 -7.766 6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.454 -10.534 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.442 -9.587 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.659 -11.170 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.348 -10.580 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.154 -9.487 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -1.072 -8.831 5.539 1.00 0.00 H new ATOM 797 N ASP A 197 3.059 -9.560 4.193 1.00 0.00 N ATOM 798 CA ASP A 197 4.103 -9.855 3.227 1.00 0.00 C ATOM 799 C ASP A 197 4.626 -8.546 2.632 1.00 0.00 C ATOM 800 O ASP A 197 5.836 -8.344 2.533 1.00 0.00 O ATOM 801 CB ASP A 197 3.567 -10.714 2.080 1.00 0.00 C ATOM 802 CG ASP A 197 4.541 -11.771 1.554 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.718 -11.804 1.942 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.040 -12.594 0.696 1.00 0.00 O ATOM 0 H ASP A 197 2.173 -10.037 4.023 1.00 0.00 H new ATOM 0 HA ASP A 197 4.896 -10.397 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.658 -11.214 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.286 -10.059 1.256 1.00 0.00 H new ATOM 810 N CYS A 198 3.689 -7.690 2.251 1.00 0.00 N ATOM 811 CA CYS A 198 4.040 -6.406 1.669 1.00 0.00 C ATOM 812 C CYS A 198 4.991 -5.687 2.628 1.00 0.00 C ATOM 813 O CYS A 198 5.913 -4.998 2.195 1.00 0.00 O ATOM 814 CB CYS A 198 2.800 -5.567 1.359 1.00 0.00 C ATOM 815 SG CYS A 198 3.262 -4.115 0.346 1.00 0.00 S ATOM 0 H CYS A 198 2.687 -7.861 2.334 1.00 0.00 H new ATOM 0 HA CYS A 198 4.540 -6.562 0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.065 -6.172 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.332 -5.239 2.287 1.00 0.00 H new ATOM 0 HG CYS A 198 2.641 -4.167 -0.795 1.00 0.00 H new ATOM 821 N LYS A 199 4.733 -5.872 3.915 1.00 0.00 N ATOM 822 CA LYS A 199 5.553 -5.248 4.940 1.00 0.00 C ATOM 823 C LYS A 199 6.993 -5.745 4.806 1.00 0.00 C ATOM 824 O LYS A 199 7.936 -4.965 4.928 1.00 0.00 O ATOM 825 CB LYS A 199 4.947 -5.483 6.326 1.00 0.00 C ATOM 826 CG LYS A 199 5.512 -4.491 7.345 1.00 0.00 C ATOM 827 CD LYS A 199 5.231 -4.955 8.775 1.00 0.00 C ATOM 828 CE LYS A 199 4.513 -3.865 9.574 1.00 0.00 C ATOM 829 NZ LYS A 199 5.477 -2.842 10.037 1.00 0.00 N ATOM 0 H LYS A 199 3.968 -6.445 4.271 1.00 0.00 H new ATOM 0 HA LYS A 199 5.575 -4.166 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.863 -5.381 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.156 -6.502 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.587 -4.385 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.070 -3.508 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.621 -5.858 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 199 6.168 -5.215 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.747 -3.398 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.005 -4.308 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.973 -2.110 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 6.193 -3.289 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 5.943 -2.407 9.215 1.00 0.00 H new ATOM 843 N THR A 200 7.119 -7.039 4.557 1.00 0.00 N ATOM 844 CA THR A 200 8.429 -7.649 4.404 1.00 0.00 C ATOM 845 C THR A 200 9.093 -7.171 3.113 1.00 0.00 C ATOM 846 O THR A 200 10.295 -6.908 3.088 1.00 0.00 O ATOM 847 CB THR A 200 8.253 -9.169 4.471 1.00 0.00 C ATOM 848 OG1 THR A 200 7.637 -9.392 5.737 1.00 0.00 O ATOM 849 CG2 THR A 200 9.589 -9.908 4.571 1.00 0.00 C ATOM 0 H THR A 200 6.335 -7.683 4.457 1.00 0.00 H new ATOM 0 HA THR A 200 9.101 -7.349 5.208 1.00 0.00 H new ATOM 0 HB THR A 200 7.713 -9.512 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.485 -10.352 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.408 -10.982 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.198 -9.679 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.114 -9.591 5.472 1.00 0.00 H new ATOM 857 N ILE A 201 8.281 -7.073 2.068 1.00 0.00 N ATOM 858 CA ILE A 201 8.776 -6.630 0.776 1.00 0.00 C ATOM 859 C ILE A 201 9.260 -5.183 0.889 1.00 0.00 C ATOM 860 O ILE A 201 10.352 -4.852 0.425 1.00 0.00 O ATOM 861 CB ILE A 201 7.713 -6.840 -0.305 1.00 0.00 C ATOM 862 CG1 ILE A 201 6.938 -8.138 -0.066 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.334 -6.791 -1.702 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.714 -8.891 -1.379 1.00 0.00 C ATOM 0 H ILE A 201 7.285 -7.293 2.091 1.00 0.00 H new ATOM 0 HA ILE A 201 9.633 -7.230 0.470 1.00 0.00 H new ATOM 0 HB ILE A 201 6.996 -6.021 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.487 -8.771 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 201 5.977 -7.912 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.557 -6.943 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.803 -5.820 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.085 -7.576 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.161 -9.810 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.144 -8.265 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.677 -9.136 -1.827 1.00 0.00 H new ATOM 876 N LEU A 202 8.427 -4.359 1.507 1.00 0.00 N ATOM 877 CA LEU A 202 8.757 -2.956 1.685 1.00 0.00 C ATOM 878 C LEU A 202 9.897 -2.830 2.699 1.00 0.00 C ATOM 879 O LEU A 202 10.642 -1.851 2.680 1.00 0.00 O ATOM 880 CB LEU A 202 7.509 -2.155 2.062 1.00 0.00 C ATOM 881 CG LEU A 202 6.823 -2.556 3.370 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.454 -1.835 4.561 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.313 -2.322 3.291 1.00 0.00 C ATOM 0 H LEU A 202 7.524 -4.637 1.891 1.00 0.00 H new ATOM 0 HA LEU A 202 9.112 -2.527 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 202 7.783 -1.102 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 202 6.785 -2.246 1.252 1.00 0.00 H new ATOM 0 HG LEU A 202 6.975 -3.624 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 202 6.949 -2.137 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.510 -2.095 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 202 7.353 -0.758 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.850 -2.615 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.118 -1.266 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 202 4.894 -2.918 2.480 1.00 0.00 H new ATOM 895 N LYS A 203 9.995 -3.833 3.558 1.00 0.00 N ATOM 896 CA LYS A 203 11.031 -3.846 4.577 1.00 0.00 C ATOM 897 C LYS A 203 12.386 -4.110 3.916 1.00 0.00 C ATOM 898 O LYS A 203 13.372 -3.443 4.228 1.00 0.00 O ATOM 899 CB LYS A 203 10.681 -4.843 5.683 1.00 0.00 C ATOM 900 CG LYS A 203 10.034 -4.138 6.875 1.00 0.00 C ATOM 901 CD LYS A 203 9.367 -5.144 7.814 1.00 0.00 C ATOM 902 CE LYS A 203 9.347 -4.622 9.252 1.00 0.00 C ATOM 903 NZ LYS A 203 10.726 -4.474 9.768 1.00 0.00 N ATOM 0 H LYS A 203 9.374 -4.642 3.570 1.00 0.00 H new ATOM 0 HA LYS A 203 11.098 -2.874 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.002 -5.601 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.583 -5.361 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.789 -3.572 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.294 -3.421 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.348 -5.339 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.902 -6.093 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 203 8.833 -3.661 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.786 -5.308 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.729 -4.623 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 11.344 -5.177 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.076 -3.518 9.555 1.00 0.00 H new ATOM 917 N ALA A 204 12.392 -5.083 3.017 1.00 0.00 N ATOM 918 CA ALA A 204 13.609 -5.442 2.311 1.00 0.00 C ATOM 919 C ALA A 204 13.867 -4.424 1.198 1.00 0.00 C ATOM 920 O ALA A 204 14.992 -4.296 0.718 1.00 0.00 O ATOM 921 CB ALA A 204 13.487 -6.870 1.778 1.00 0.00 C ATOM 0 H ALA A 204 11.573 -5.634 2.761 1.00 0.00 H new ATOM 0 HA ALA A 204 14.465 -5.418 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.400 -7.140 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.334 -7.557 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.640 -6.932 1.095 1.00 0.00 H new ATOM 927 N LEU A 205 12.807 -3.726 0.822 1.00 0.00 N ATOM 928 CA LEU A 205 12.905 -2.722 -0.225 1.00 0.00 C ATOM 929 C LEU A 205 13.422 -1.413 0.374 1.00 0.00 C ATOM 930 O LEU A 205 14.539 -0.990 0.082 1.00 0.00 O ATOM 931 CB LEU A 205 11.568 -2.577 -0.955 1.00 0.00 C ATOM 932 CG LEU A 205 11.277 -1.201 -1.555 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.577 -1.329 -2.910 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.479 -0.335 -0.578 1.00 0.00 C ATOM 0 H LEU A 205 11.875 -3.835 1.223 1.00 0.00 H new ATOM 0 HA LEU A 205 13.625 -3.032 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.532 -3.315 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.767 -2.824 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 205 12.228 -0.698 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.382 -0.336 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.216 -1.882 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.634 -1.861 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 205 10.285 0.638 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.532 -0.824 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 205 11.050 -0.202 0.341 1.00 0.00 H new ATOM 946 N GLY A 206 12.585 -0.808 1.204 1.00 0.00 N ATOM 947 CA GLY A 206 12.943 0.444 1.848 1.00 0.00 C ATOM 948 C GLY A 206 11.769 1.004 2.653 1.00 0.00 C ATOM 949 O GLY A 206 10.646 1.068 2.155 1.00 0.00 O ATOM 0 H GLY A 206 11.659 -1.162 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.797 0.287 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.250 1.169 1.095 1.00 0.00 H new ATOM 953 N PRO A 207 12.077 1.404 3.916 1.00 0.00 N ATOM 954 CA PRO A 207 11.060 1.956 4.795 1.00 0.00 C ATOM 955 C PRO A 207 10.703 3.388 4.390 1.00 0.00 C ATOM 956 O PRO A 207 10.803 4.309 5.198 1.00 0.00 O ATOM 957 CB PRO A 207 11.653 1.864 6.191 1.00 0.00 C ATOM 958 CG PRO A 207 13.152 1.698 5.996 1.00 0.00 C ATOM 959 CD PRO A 207 13.395 1.344 4.538 1.00 0.00 C ATOM 0 HA PRO A 207 10.117 1.411 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 207 11.431 2.761 6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 207 11.234 1.020 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 207 13.675 2.618 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 207 13.538 0.915 6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.086 2.046 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 207 13.834 0.351 4.440 1.00 0.00 H new ATOM 967 N GLY A 208 10.294 3.531 3.137 1.00 0.00 N ATOM 968 CA GLY A 208 9.922 4.835 2.615 1.00 0.00 C ATOM 969 C GLY A 208 10.454 5.027 1.193 1.00 0.00 C ATOM 970 O GLY A 208 10.983 6.088 0.865 1.00 0.00 O ATOM 0 H GLY A 208 10.212 2.765 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.837 4.936 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.317 5.617 3.264 1.00 0.00 H new ATOM 974 N ALA A 209 10.296 3.988 0.390 1.00 0.00 N ATOM 975 CA ALA A 209 10.755 4.029 -0.988 1.00 0.00 C ATOM 976 C ALA A 209 9.730 4.784 -1.838 1.00 0.00 C ATOM 977 O ALA A 209 8.636 5.093 -1.369 1.00 0.00 O ATOM 978 CB ALA A 209 10.992 2.604 -1.491 1.00 0.00 C ATOM 0 H ALA A 209 9.856 3.110 0.667 1.00 0.00 H new ATOM 0 HA ALA A 209 11.703 4.562 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 209 11.336 2.636 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.747 2.120 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 209 10.061 2.039 -1.436 1.00 0.00 H new ATOM 984 N THR A 210 10.122 5.060 -3.074 1.00 0.00 N ATOM 985 CA THR A 210 9.252 5.772 -3.994 1.00 0.00 C ATOM 986 C THR A 210 7.925 5.029 -4.156 1.00 0.00 C ATOM 987 O THR A 210 7.826 3.847 -3.829 1.00 0.00 O ATOM 988 CB THR A 210 10.008 5.960 -5.310 1.00 0.00 C ATOM 989 OG1 THR A 210 10.505 7.294 -5.238 1.00 0.00 O ATOM 990 CG2 THR A 210 9.078 5.975 -6.524 1.00 0.00 C ATOM 0 H THR A 210 11.031 4.803 -3.459 1.00 0.00 H new ATOM 0 HA THR A 210 8.991 6.758 -3.609 1.00 0.00 H new ATOM 0 HB THR A 210 10.740 5.161 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 210 11.010 7.499 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.666 6.111 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 210 8.538 5.030 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.366 6.795 -6.427 1.00 0.00 H new ATOM 998 N LEU A 211 6.937 5.753 -4.662 1.00 0.00 N ATOM 999 CA LEU A 211 5.619 5.176 -4.872 1.00 0.00 C ATOM 1000 C LEU A 211 5.744 3.939 -5.764 1.00 0.00 C ATOM 1001 O LEU A 211 5.297 2.856 -5.393 1.00 0.00 O ATOM 1002 CB LEU A 211 4.654 6.231 -5.415 1.00 0.00 C ATOM 1003 CG LEU A 211 3.175 5.841 -5.435 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.933 4.656 -6.372 1.00 0.00 C ATOM 1005 CD2 LEU A 211 2.660 5.567 -4.020 1.00 0.00 C ATOM 0 H LEU A 211 7.022 6.733 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 211 5.193 4.844 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.762 7.136 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 211 4.957 6.482 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 211 2.605 6.684 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.874 4.399 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.237 4.924 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 211 3.515 3.799 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 211 1.606 5.292 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 211 3.230 4.750 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.776 6.463 -3.411 1.00 0.00 H new ATOM 1017 N GLU A 212 6.354 4.144 -6.923 1.00 0.00 N ATOM 1018 CA GLU A 212 6.544 3.059 -7.870 1.00 0.00 C ATOM 1019 C GLU A 212 7.318 1.913 -7.216 1.00 0.00 C ATOM 1020 O GLU A 212 7.165 0.754 -7.603 1.00 0.00 O ATOM 1021 CB GLU A 212 7.254 3.551 -9.132 1.00 0.00 C ATOM 1022 CG GLU A 212 6.243 3.966 -10.203 1.00 0.00 C ATOM 1023 CD GLU A 212 6.801 5.092 -11.077 1.00 0.00 C ATOM 1024 OE1 GLU A 212 6.461 6.265 -10.866 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.617 4.712 -12.001 1.00 0.00 O ATOM 0 H GLU A 212 6.723 5.045 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 212 5.564 2.686 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.896 4.397 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.899 2.763 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.994 3.107 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.318 4.294 -9.728 1.00 0.00 H new ATOM 1033 N GLU A 213 8.133 2.274 -6.236 1.00 0.00 N ATOM 1034 CA GLU A 213 8.931 1.291 -5.525 1.00 0.00 C ATOM 1035 C GLU A 213 8.041 0.436 -4.622 1.00 0.00 C ATOM 1036 O GLU A 213 8.179 -0.785 -4.583 1.00 0.00 O ATOM 1037 CB GLU A 213 10.042 1.967 -4.717 1.00 0.00 C ATOM 1038 CG GLU A 213 11.242 1.032 -4.549 1.00 0.00 C ATOM 1039 CD GLU A 213 12.481 1.596 -5.248 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.360 2.216 -6.315 1.00 0.00 O ATOM 1041 OE2 GLU A 213 13.598 1.374 -4.643 1.00 0.00 O ATOM 0 H GLU A 213 8.258 3.235 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 213 9.405 0.638 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.357 2.882 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.661 2.255 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.451 0.891 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.003 0.051 -4.960 1.00 0.00 H new ATOM 1049 N MET A 214 7.144 1.112 -3.918 1.00 0.00 N ATOM 1050 CA MET A 214 6.230 0.429 -3.018 1.00 0.00 C ATOM 1051 C MET A 214 5.287 -0.495 -3.792 1.00 0.00 C ATOM 1052 O MET A 214 5.093 -1.649 -3.410 1.00 0.00 O ATOM 1053 CB MET A 214 5.409 1.463 -2.243 1.00 0.00 C ATOM 1054 CG MET A 214 6.320 2.403 -1.451 1.00 0.00 C ATOM 1055 SD MET A 214 5.842 2.408 0.270 1.00 0.00 S ATOM 1056 CE MET A 214 6.696 0.946 0.834 1.00 0.00 C ATOM 0 H MET A 214 7.031 2.125 -3.953 1.00 0.00 H new ATOM 0 HA MET A 214 6.815 -0.177 -2.326 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.798 2.041 -2.936 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.725 0.955 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 214 7.358 2.084 -1.548 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.257 3.412 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 214 5.970 0.165 1.059 1.00 0.00 H new ATOM 0 HE2 MET A 214 7.374 0.597 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 214 7.266 1.182 1.733 1.00 0.00 H new ATOM 1066 N MET A 215 4.726 0.046 -4.862 1.00 0.00 N ATOM 1067 CA MET A 215 3.807 -0.716 -5.692 1.00 0.00 C ATOM 1068 C MET A 215 4.545 -1.818 -6.456 1.00 0.00 C ATOM 1069 O MET A 215 3.966 -2.857 -6.768 1.00 0.00 O ATOM 1070 CB MET A 215 3.118 0.222 -6.685 1.00 0.00 C ATOM 1071 CG MET A 215 4.135 0.858 -7.635 1.00 0.00 C ATOM 1072 SD MET A 215 4.461 -0.240 -9.004 1.00 0.00 S ATOM 1073 CE MET A 215 3.018 0.078 -10.006 1.00 0.00 C ATOM 0 H MET A 215 4.889 1.003 -5.174 1.00 0.00 H new ATOM 0 HA MET A 215 3.064 -1.183 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.376 -0.332 -7.259 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.584 1.002 -6.143 1.00 0.00 H new ATOM 0 HG2 MET A 215 3.754 1.810 -8.004 1.00 0.00 H new ATOM 0 HG3 MET A 215 5.061 1.071 -7.100 1.00 0.00 H new ATOM 0 HE1 MET A 215 3.193 -0.281 -11.020 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.158 -0.440 -9.581 1.00 0.00 H new ATOM 0 HE3 MET A 215 2.821 1.150 -10.030 1.00 0.00 H new ATOM 1083 N THR A 216 5.812 -1.552 -6.737 1.00 0.00 N ATOM 1084 CA THR A 216 6.636 -2.507 -7.460 1.00 0.00 C ATOM 1085 C THR A 216 6.889 -3.747 -6.602 1.00 0.00 C ATOM 1086 O THR A 216 6.848 -4.871 -7.102 1.00 0.00 O ATOM 1087 CB THR A 216 7.917 -1.793 -7.894 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.575 -1.187 -9.136 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.039 -2.771 -8.251 1.00 0.00 C ATOM 0 H THR A 216 6.289 -0.689 -6.477 1.00 0.00 H new ATOM 0 HA THR A 216 6.131 -2.869 -8.356 1.00 0.00 H new ATOM 0 HB THR A 216 8.252 -1.132 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.098 -0.347 -8.970 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.926 -2.213 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.275 -3.386 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.716 -3.411 -9.072 1.00 0.00 H new ATOM 1097 N ALA A 217 7.148 -3.502 -5.325 1.00 0.00 N ATOM 1098 CA ALA A 217 7.408 -4.586 -4.393 1.00 0.00 C ATOM 1099 C ALA A 217 6.111 -5.353 -4.134 1.00 0.00 C ATOM 1100 O ALA A 217 6.111 -6.582 -4.084 1.00 0.00 O ATOM 1101 CB ALA A 217 8.018 -4.019 -3.110 1.00 0.00 C ATOM 0 H ALA A 217 7.183 -2.569 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 217 8.127 -5.290 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.213 -4.831 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.953 -3.510 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.323 -3.311 -2.659 1.00 0.00 H new ATOM 1107 N CYS A 218 5.035 -4.597 -3.976 1.00 0.00 N ATOM 1108 CA CYS A 218 3.733 -5.190 -3.722 1.00 0.00 C ATOM 1109 C CYS A 218 3.385 -6.104 -4.899 1.00 0.00 C ATOM 1110 O CYS A 218 2.936 -7.233 -4.701 1.00 0.00 O ATOM 1111 CB CYS A 218 2.661 -4.124 -3.491 1.00 0.00 C ATOM 1112 SG CYS A 218 1.219 -4.860 -2.638 1.00 0.00 S ATOM 0 H CYS A 218 5.038 -3.578 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 218 3.770 -5.778 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 218 3.070 -3.309 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.351 -3.696 -4.444 1.00 0.00 H new ATOM 0 HG CYS A 218 0.331 -3.938 -2.413 1.00 0.00 H new ATOM 1118 N GLN A 219 3.605 -5.583 -6.096 1.00 0.00 N ATOM 1119 CA GLN A 219 3.319 -6.338 -7.304 1.00 0.00 C ATOM 1120 C GLN A 219 4.185 -7.599 -7.359 1.00 0.00 C ATOM 1121 O GLN A 219 3.799 -8.595 -7.972 1.00 0.00 O ATOM 1122 CB GLN A 219 3.528 -5.476 -8.552 1.00 0.00 C ATOM 1123 CG GLN A 219 2.269 -5.457 -9.420 1.00 0.00 C ATOM 1124 CD GLN A 219 2.599 -5.036 -10.854 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.536 -5.517 -11.470 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.779 -4.115 -11.351 1.00 0.00 N ATOM 0 H GLN A 219 3.978 -4.647 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 219 2.272 -6.639 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.786 -4.459 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.367 -5.863 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.810 -6.446 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.539 -4.769 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.013 -3.754 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.916 -3.770 -12.301 1.00 0.00 H new ATOM 1135 N GLY A 220 5.336 -7.516 -6.710 1.00 0.00 N ATOM 1136 CA GLY A 220 6.258 -8.639 -6.676 1.00 0.00 C ATOM 1137 C GLY A 220 5.795 -9.700 -5.677 1.00 0.00 C ATOM 1138 O GLY A 220 6.163 -10.869 -5.792 1.00 0.00 O ATOM 0 H GLY A 220 5.652 -6.689 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.336 -9.080 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.254 -8.288 -6.404 1.00 0.00 H new ATOM 1142 N VAL A 221 4.996 -9.255 -4.719 1.00 0.00 N ATOM 1143 CA VAL A 221 4.477 -10.153 -3.701 1.00 0.00 C ATOM 1144 C VAL A 221 4.074 -11.478 -4.351 1.00 0.00 C ATOM 1145 O VAL A 221 3.695 -11.509 -5.520 1.00 0.00 O ATOM 1146 CB VAL A 221 3.326 -9.482 -2.948 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.038 -9.516 -3.773 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.117 -10.127 -1.577 1.00 0.00 C ATOM 0 H VAL A 221 4.695 -8.285 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 221 5.246 -10.375 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 221 3.594 -8.438 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.236 -9.033 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.195 -8.988 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.765 -10.551 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.293 -9.631 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.882 -11.184 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.027 -10.026 -0.985 1.00 0.00 H new