USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= -1.17 USER MOD Set 2.1: A 35 CYS SG : rot -159:sc= 2.1 USER MOD Set 2.2: A 37 SER OG : rot 68:sc= 1.22 USER MOD Set 2.3: A 38 CYS SG : rot 44:sc= 0.822 USER MOD Set 2.4: A 58 CYS SG : rot -129:sc= -2.81! USER MOD Set 3.1: A 8 CYS SG : rot 143:sc= 1.5 USER MOD Set 3.2: A 11 CYS SG : rot -42:sc= 0.623! USER MOD Set 3.3: A 29 HIS : no HD1:sc= 0.709 K(o=-1.2,f=-3.4) USER MOD Set 3.4: A 32 CYS SG : rot 151:sc= -4! USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.371 (180deg=-1.38!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -136:sc= -0.0397 (180deg=-1.11) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.051 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.03) USER MOD Single : A 36 SER OG : rot 52:sc= 1.05 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 GLN : amide:sc= -1.47! C(o=-1.5!,f=-4.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 7:sc= 0.74 USER MOD Single : A 49 SER OG : rot 160:sc= -2.53! USER MOD Single : A 50 TYR OH : rot 70:sc= -1.34 USER MOD Single : A 51 THR OG1 : rot -125:sc= 1.17 USER MOD Single : A 53 SER OG : rot 138:sc= 0.98 USER MOD Single : A 55 MET CE :methyl 147:sc= -0.0609 (180deg=-0.199) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 76:sc= 0.0348 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.856 -3.046 -0.702 1.00 0.00 N ATOM 98 CA ARG A 7 -9.697 -3.464 0.684 1.00 0.00 C ATOM 99 C ARG A 7 -8.247 -3.318 1.115 1.00 0.00 C ATOM 100 O ARG A 7 -7.372 -3.091 0.278 1.00 0.00 O ATOM 101 CB ARG A 7 -10.167 -4.909 0.870 1.00 0.00 C ATOM 102 CG ARG A 7 -9.401 -5.925 0.037 1.00 0.00 C ATOM 103 CD ARG A 7 -8.446 -6.745 0.891 1.00 0.00 C ATOM 104 NE ARG A 7 -9.113 -7.359 2.038 1.00 0.00 N ATOM 105 CZ ARG A 7 -8.562 -8.309 2.799 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.308 -8.697 2.586 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.258 -8.857 3.788 1.00 0.00 N ATOM 0 HA ARG A 7 -10.314 -2.821 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.076 -5.176 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.225 -4.971 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.105 -6.590 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.841 -5.409 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.992 -7.524 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.637 -6.105 1.244 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.055 -7.044 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.762 -8.269 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.892 -9.423 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.215 -8.553 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.836 -9.582 4.368 1.00 0.00 H new ATOM 121 N CYS A 8 -8.010 -3.385 2.420 1.00 0.00 N ATOM 122 CA CYS A 8 -6.675 -3.185 2.957 1.00 0.00 C ATOM 123 C CYS A 8 -5.756 -4.354 2.634 1.00 0.00 C ATOM 124 O CYS A 8 -6.132 -5.521 2.772 1.00 0.00 O ATOM 125 CB CYS A 8 -6.721 -2.981 4.471 1.00 0.00 C ATOM 126 SG CYS A 8 -5.185 -2.284 5.168 1.00 0.00 S ATOM 0 H CYS A 8 -8.725 -3.576 3.122 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.275 -2.289 2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.552 -2.319 4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.925 -3.938 4.951 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.480 -1.457 6.127 1.00 0.00 H new ATOM 131 N ALA A 9 -4.512 -4.023 2.353 1.00 0.00 N ATOM 132 CA ALA A 9 -3.470 -5.017 2.183 1.00 0.00 C ATOM 133 C ALA A 9 -2.541 -4.986 3.390 1.00 0.00 C ATOM 134 O ALA A 9 -1.588 -5.762 3.486 1.00 0.00 O ATOM 135 CB ALA A 9 -2.698 -4.764 0.894 1.00 0.00 C ATOM 0 H ALA A 9 -4.195 -3.061 2.236 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.922 -6.006 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.920 -5.519 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.380 -4.817 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.241 -3.775 0.932 1.00 0.00 H new ATOM 141 N GLY A 10 -2.848 -4.091 4.325 1.00 0.00 N ATOM 142 CA GLY A 10 -2.056 -3.966 5.529 1.00 0.00 C ATOM 143 C GLY A 10 -2.589 -4.822 6.655 1.00 0.00 C ATOM 144 O GLY A 10 -1.820 -5.510 7.333 1.00 0.00 O ATOM 0 H GLY A 10 -3.637 -3.448 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.026 -4.250 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.040 -2.923 5.844 1.00 0.00 H new ATOM 148 N CYS A 11 -3.907 -4.864 6.794 1.00 0.00 N ATOM 149 CA CYS A 11 -4.527 -5.732 7.777 1.00 0.00 C ATOM 150 C CYS A 11 -5.466 -6.730 7.092 1.00 0.00 C ATOM 151 O CYS A 11 -5.050 -7.826 6.710 1.00 0.00 O ATOM 152 CB CYS A 11 -5.258 -4.907 8.855 1.00 0.00 C ATOM 153 SG CYS A 11 -6.577 -3.793 8.256 1.00 0.00 S ATOM 0 H CYS A 11 -4.561 -4.310 6.241 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.746 -6.302 8.281 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.693 -5.596 9.578 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.520 -4.309 9.389 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.178 -3.189 7.176 1.00 0.00 H new ATOM 158 N GLY A 12 -6.708 -6.335 6.904 1.00 0.00 N ATOM 159 CA GLY A 12 -7.671 -7.187 6.246 1.00 0.00 C ATOM 160 C GLY A 12 -9.086 -6.739 6.514 1.00 0.00 C ATOM 161 O GLY A 12 -9.587 -6.875 7.632 1.00 0.00 O ATOM 0 H GLY A 12 -7.072 -5.429 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.486 -7.184 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.543 -8.214 6.589 1.00 0.00 H new ATOM 165 N GLY A 13 -9.716 -6.163 5.507 1.00 0.00 N ATOM 166 CA GLY A 13 -11.050 -5.652 5.666 1.00 0.00 C ATOM 167 C GLY A 13 -11.349 -4.581 4.652 1.00 0.00 C ATOM 168 O GLY A 13 -10.476 -3.782 4.309 1.00 0.00 O ATOM 0 H GLY A 13 -9.320 -6.041 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.768 -6.465 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.170 -5.248 6.671 1.00 0.00 H new ATOM 172 N LYS A 14 -12.561 -4.610 4.129 1.00 0.00 N ATOM 173 CA LYS A 14 -12.999 -3.640 3.140 1.00 0.00 C ATOM 174 C LYS A 14 -12.941 -2.239 3.730 1.00 0.00 C ATOM 175 O LYS A 14 -13.297 -2.033 4.892 1.00 0.00 O ATOM 176 CB LYS A 14 -14.415 -3.963 2.669 1.00 0.00 C ATOM 177 CG LYS A 14 -14.458 -5.013 1.573 1.00 0.00 C ATOM 178 CD LYS A 14 -14.393 -4.379 0.192 1.00 0.00 C ATOM 179 CE LYS A 14 -15.260 -5.127 -0.807 1.00 0.00 C ATOM 180 NZ LYS A 14 -16.657 -5.295 -0.323 1.00 0.00 N ATOM 0 H LYS A 14 -13.267 -5.303 4.376 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.333 -3.687 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.003 -4.310 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.887 -3.050 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.624 -5.704 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.373 -5.598 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.719 -3.341 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.360 -4.370 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.268 -4.588 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.824 -6.107 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.305 -5.321 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.735 -6.184 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.909 -4.497 0.295 1.00 0.00 H new ATOM 194 N ILE A 15 -12.353 -1.317 2.989 1.00 0.00 N ATOM 195 CA ILE A 15 -12.091 0.012 3.506 1.00 0.00 C ATOM 196 C ILE A 15 -13.211 0.982 3.161 1.00 0.00 C ATOM 197 O ILE A 15 -13.311 1.464 2.032 1.00 0.00 O ATOM 198 CB ILE A 15 -10.753 0.561 2.980 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.650 -0.498 3.155 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.403 1.864 3.697 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.306 0.060 3.579 1.00 0.00 C ATOM 0 H ILE A 15 -12.048 -1.465 2.027 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.035 -0.079 4.591 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.841 0.782 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.977 -1.226 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.526 -1.035 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.455 2.245 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.187 2.600 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.317 1.678 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.589 -0.755 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.952 0.766 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.410 0.571 4.536 1.00 0.00 H new ATOM 212 N ALA A 16 -14.009 1.313 4.164 1.00 0.00 N ATOM 213 CA ALA A 16 -15.074 2.289 4.013 1.00 0.00 C ATOM 214 C ALA A 16 -14.709 3.573 4.749 1.00 0.00 C ATOM 215 O ALA A 16 -15.579 4.337 5.172 1.00 0.00 O ATOM 216 CB ALA A 16 -16.388 1.729 4.537 1.00 0.00 C ATOM 0 H ALA A 16 -13.937 0.915 5.100 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.198 2.514 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.175 2.474 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.649 0.831 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.282 1.481 5.593 1.00 0.00 H new ATOM 222 N ASP A 17 -13.413 3.765 4.950 1.00 0.00 N ATOM 223 CA ASP A 17 -12.899 4.923 5.674 1.00 0.00 C ATOM 224 C ASP A 17 -13.059 6.192 4.857 1.00 0.00 C ATOM 225 O ASP A 17 -12.765 6.208 3.661 1.00 0.00 O ATOM 226 CB ASP A 17 -11.421 4.722 6.018 1.00 0.00 C ATOM 227 CG ASP A 17 -11.210 4.298 7.455 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.474 5.115 8.363 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.779 3.147 7.687 1.00 0.00 O ATOM 0 H ASP A 17 -12.690 3.127 4.618 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.476 5.024 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.997 3.968 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.880 5.650 5.834 1.00 0.00 H new ATOM 234 N ARG A 18 -13.432 7.272 5.529 1.00 0.00 N ATOM 235 CA ARG A 18 -13.510 8.575 4.887 1.00 0.00 C ATOM 236 C ARG A 18 -12.109 9.048 4.548 1.00 0.00 C ATOM 237 O ARG A 18 -11.856 9.569 3.463 1.00 0.00 O ATOM 238 CB ARG A 18 -14.186 9.590 5.812 1.00 0.00 C ATOM 239 CG ARG A 18 -14.901 10.712 5.075 1.00 0.00 C ATOM 240 CD ARG A 18 -15.926 11.397 5.966 1.00 0.00 C ATOM 241 NE ARG A 18 -16.982 10.480 6.390 1.00 0.00 N ATOM 242 CZ ARG A 18 -17.398 10.349 7.650 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.846 11.071 8.619 1.00 0.00 N ATOM 244 NH2 ARG A 18 -18.363 9.487 7.941 1.00 0.00 N ATOM 0 H ARG A 18 -13.685 7.271 6.517 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.103 8.487 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.904 9.069 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.434 10.023 6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.172 11.444 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.396 10.311 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.427 11.806 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.369 12.237 5.430 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.429 9.904 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.099 11.731 8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.169 10.966 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.786 8.926 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.683 9.385 8.904 1.00 0.00 H new ATOM 258 N PHE A 19 -11.201 8.820 5.484 1.00 0.00 N ATOM 259 CA PHE A 19 -9.805 9.182 5.322 1.00 0.00 C ATOM 260 C PHE A 19 -8.949 7.927 5.229 1.00 0.00 C ATOM 261 O PHE A 19 -8.768 7.222 6.224 1.00 0.00 O ATOM 262 CB PHE A 19 -9.339 10.025 6.512 1.00 0.00 C ATOM 263 CG PHE A 19 -10.214 11.213 6.811 1.00 0.00 C ATOM 264 CD1 PHE A 19 -10.854 11.900 5.794 1.00 0.00 C ATOM 265 CD2 PHE A 19 -10.394 11.641 8.116 1.00 0.00 C ATOM 266 CE1 PHE A 19 -11.659 12.986 6.070 1.00 0.00 C ATOM 267 CE2 PHE A 19 -11.198 12.729 8.397 1.00 0.00 C ATOM 268 CZ PHE A 19 -11.830 13.402 7.373 1.00 0.00 C ATOM 0 H PHE A 19 -11.414 8.378 6.378 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.700 9.762 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.294 9.390 7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.325 10.375 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.721 11.582 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.901 11.119 8.922 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.155 13.510 5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.331 13.052 9.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.458 14.253 7.591 1.00 0.00 H new ATOM 278 N LEU A 20 -8.442 7.631 4.040 1.00 0.00 N ATOM 279 CA LEU A 20 -7.617 6.447 3.854 1.00 0.00 C ATOM 280 C LEU A 20 -6.489 6.693 2.855 1.00 0.00 C ATOM 281 O LEU A 20 -6.592 7.542 1.965 1.00 0.00 O ATOM 282 CB LEU A 20 -8.477 5.216 3.459 1.00 0.00 C ATOM 283 CG LEU A 20 -9.041 5.123 2.017 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.543 6.461 1.497 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.011 4.532 1.062 1.00 0.00 C ATOM 0 H LEU A 20 -8.586 8.189 3.198 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.148 6.224 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.875 4.324 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.322 5.171 4.146 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.900 4.454 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.926 6.337 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.340 6.827 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.723 7.179 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.434 4.479 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.123 5.164 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.739 3.530 1.395 1.00 0.00 H new ATOM 297 N LEU A 21 -5.423 5.926 3.012 1.00 0.00 N ATOM 298 CA LEU A 21 -4.276 5.982 2.120 1.00 0.00 C ATOM 299 C LEU A 21 -4.181 4.672 1.357 1.00 0.00 C ATOM 300 O LEU A 21 -4.565 3.633 1.872 1.00 0.00 O ATOM 301 CB LEU A 21 -2.996 6.205 2.931 1.00 0.00 C ATOM 302 CG LEU A 21 -1.912 7.040 2.247 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.027 7.706 3.285 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.072 6.176 1.318 1.00 0.00 C ATOM 0 H LEU A 21 -5.328 5.244 3.765 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.396 6.808 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.263 6.690 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.574 5.232 3.183 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.400 7.812 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.260 8.297 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.632 8.357 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.552 6.943 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.307 6.790 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.594 5.382 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.712 5.736 0.553 1.00 0.00 H new ATOM 316 N TYR A 22 -3.683 4.699 0.139 1.00 0.00 N ATOM 317 CA TYR A 22 -3.566 3.472 -0.623 1.00 0.00 C ATOM 318 C TYR A 22 -2.428 3.530 -1.622 1.00 0.00 C ATOM 319 O TYR A 22 -1.962 4.604 -1.989 1.00 0.00 O ATOM 320 CB TYR A 22 -4.883 3.132 -1.315 1.00 0.00 C ATOM 321 CG TYR A 22 -5.399 4.153 -2.303 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.021 5.317 -1.873 1.00 0.00 C ATOM 323 CD2 TYR A 22 -5.317 3.918 -3.668 1.00 0.00 C ATOM 324 CE1 TYR A 22 -6.545 6.222 -2.776 1.00 0.00 C ATOM 325 CE2 TYR A 22 -5.831 4.817 -4.578 1.00 0.00 C ATOM 326 CZ TYR A 22 -6.445 5.971 -4.129 1.00 0.00 C ATOM 327 OH TYR A 22 -6.966 6.871 -5.039 1.00 0.00 O ATOM 0 H TYR A 22 -3.358 5.540 -0.339 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.334 2.675 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.762 2.182 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.644 2.981 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.097 5.519 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.842 3.015 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.030 7.121 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.754 4.620 -5.637 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.810 6.543 -5.949 1.00 0.00 H new ATOM 337 N ALA A 23 -1.956 2.359 -2.006 1.00 0.00 N ATOM 338 CA ALA A 23 -0.854 2.233 -2.937 1.00 0.00 C ATOM 339 C ALA A 23 -0.926 0.894 -3.653 1.00 0.00 C ATOM 340 O ALA A 23 -1.563 -0.041 -3.157 1.00 0.00 O ATOM 341 CB ALA A 23 0.477 2.381 -2.212 1.00 0.00 C ATOM 0 H ALA A 23 -2.328 1.467 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.929 3.029 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.294 2.283 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.526 3.361 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.566 1.605 -1.452 1.00 0.00 H new ATOM 347 N MET A 24 -0.247 0.793 -4.793 1.00 0.00 N ATOM 348 CA MET A 24 -0.189 -0.455 -5.557 1.00 0.00 C ATOM 349 C MET A 24 -1.576 -0.869 -6.036 1.00 0.00 C ATOM 350 O MET A 24 -1.869 -2.062 -6.157 1.00 0.00 O ATOM 351 CB MET A 24 0.426 -1.578 -4.714 1.00 0.00 C ATOM 352 CG MET A 24 1.940 -1.529 -4.631 1.00 0.00 C ATOM 353 SD MET A 24 2.548 -1.815 -2.956 1.00 0.00 S ATOM 354 CE MET A 24 2.306 -3.584 -2.805 1.00 0.00 C ATOM 0 H MET A 24 0.274 1.564 -5.212 1.00 0.00 H new ATOM 0 HA MET A 24 0.442 -0.280 -6.429 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.015 -1.528 -3.706 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.126 -2.539 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.362 -2.278 -5.301 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.289 -0.557 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.873 -3.810 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.632 -3.927 -3.590 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.265 -4.092 -2.903 1.00 0.00 H new ATOM 364 N ASP A 25 -2.443 0.126 -6.247 1.00 0.00 N ATOM 365 CA ASP A 25 -3.818 -0.096 -6.712 1.00 0.00 C ATOM 366 C ASP A 25 -4.691 -0.754 -5.642 1.00 0.00 C ATOM 367 O ASP A 25 -5.896 -0.937 -5.837 1.00 0.00 O ATOM 368 CB ASP A 25 -3.836 -0.940 -7.991 1.00 0.00 C ATOM 369 CG ASP A 25 -4.032 -0.106 -9.238 1.00 0.00 C ATOM 370 OD1 ASP A 25 -5.088 0.551 -9.360 1.00 0.00 O ATOM 371 OD2 ASP A 25 -3.138 -0.113 -10.114 1.00 0.00 O ATOM 0 H ASP A 25 -2.212 1.109 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.237 0.887 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.899 -1.491 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.635 -1.678 -7.923 1.00 0.00 H new ATOM 376 N SER A 26 -4.107 -1.026 -4.484 1.00 0.00 N ATOM 377 CA SER A 26 -4.843 -1.592 -3.362 1.00 0.00 C ATOM 378 C SER A 26 -4.977 -0.550 -2.264 1.00 0.00 C ATOM 379 O SER A 26 -4.185 0.386 -2.207 1.00 0.00 O ATOM 380 CB SER A 26 -4.113 -2.829 -2.835 1.00 0.00 C ATOM 381 OG SER A 26 -3.176 -3.303 -3.789 1.00 0.00 O ATOM 0 H SER A 26 -3.118 -0.862 -4.296 1.00 0.00 H new ATOM 0 HA SER A 26 -5.839 -1.888 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.600 -2.586 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.835 -3.613 -2.606 1.00 0.00 H new ATOM 0 HG SER A 26 -2.718 -4.093 -3.433 1.00 0.00 H new ATOM 387 N TYR A 27 -5.965 -0.704 -1.396 1.00 0.00 N ATOM 388 CA TYR A 27 -6.151 0.240 -0.303 1.00 0.00 C ATOM 389 C TYR A 27 -5.376 -0.211 0.923 1.00 0.00 C ATOM 390 O TYR A 27 -5.029 -1.384 1.058 1.00 0.00 O ATOM 391 CB TYR A 27 -7.631 0.400 0.048 1.00 0.00 C ATOM 392 CG TYR A 27 -8.379 1.379 -0.823 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.790 1.946 -1.943 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.689 1.731 -0.523 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.483 2.830 -2.740 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.389 2.619 -1.314 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.781 3.167 -2.422 1.00 0.00 C ATOM 398 OH TYR A 27 -10.480 4.036 -3.231 1.00 0.00 O ATOM 0 H TYR A 27 -6.644 -1.465 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.772 1.207 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.115 -0.574 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.712 0.721 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.771 1.690 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.168 1.302 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.011 3.258 -3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.407 2.883 -1.066 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.381 4.168 -2.868 1.00 0.00 H new ATOM 408 N TRP A 28 -5.070 0.737 1.790 1.00 0.00 N ATOM 409 CA TRP A 28 -4.326 0.465 3.005 1.00 0.00 C ATOM 410 C TRP A 28 -4.869 1.333 4.127 1.00 0.00 C ATOM 411 O TRP A 28 -5.562 2.318 3.880 1.00 0.00 O ATOM 412 CB TRP A 28 -2.834 0.793 2.825 1.00 0.00 C ATOM 413 CG TRP A 28 -2.129 0.029 1.741 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.207 0.254 0.398 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.207 -1.055 1.910 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.404 -0.630 -0.280 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.781 -1.445 0.626 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.708 -1.738 3.019 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.125 -2.481 0.426 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.192 -2.766 2.820 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.598 -3.132 1.532 1.00 0.00 C ATOM 0 H TRP A 28 -5.330 1.716 1.671 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.434 -0.594 3.240 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.737 1.858 2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.322 0.605 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.813 1.018 -0.066 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.290 -0.672 -1.293 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.020 -1.467 4.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.444 -2.761 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.589 -3.296 3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.299 -3.945 1.409 1.00 0.00 H new ATOM 432 N HIS A 29 -4.373 1.105 5.321 1.00 0.00 N ATOM 433 CA HIS A 29 -4.555 2.067 6.384 1.00 0.00 C ATOM 434 C HIS A 29 -3.240 2.814 6.545 1.00 0.00 C ATOM 435 O HIS A 29 -2.214 2.347 6.043 1.00 0.00 O ATOM 436 CB HIS A 29 -4.980 1.383 7.682 1.00 0.00 C ATOM 437 CG HIS A 29 -6.420 0.960 7.682 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.789 -0.357 7.561 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.540 1.716 7.783 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.108 -0.383 7.588 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.610 0.857 7.723 1.00 0.00 N ATOM 0 H HIS A 29 -3.846 0.271 5.580 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.355 2.765 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.351 0.508 7.847 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.807 2.062 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.583 2.790 7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.704 -1.280 7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.597 1.111 7.772 1.00 0.00 H new ATOM 449 N SER A 30 -3.277 4.003 7.127 1.00 0.00 N ATOM 450 CA SER A 30 -2.087 4.844 7.216 1.00 0.00 C ATOM 451 C SER A 30 -0.902 4.094 7.831 1.00 0.00 C ATOM 452 O SER A 30 0.216 4.150 7.309 1.00 0.00 O ATOM 453 CB SER A 30 -2.396 6.111 8.016 1.00 0.00 C ATOM 454 OG SER A 30 -3.735 6.532 7.803 1.00 0.00 O ATOM 0 H SER A 30 -4.114 4.409 7.545 1.00 0.00 H new ATOM 0 HA SER A 30 -1.801 5.123 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.234 5.924 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.710 6.906 7.724 1.00 0.00 H new ATOM 0 HG SER A 30 -3.910 7.342 8.326 1.00 0.00 H new ATOM 460 N ARG A 31 -1.153 3.353 8.904 1.00 0.00 N ATOM 461 CA ARG A 31 -0.099 2.588 9.558 1.00 0.00 C ATOM 462 C ARG A 31 -0.073 1.144 9.066 1.00 0.00 C ATOM 463 O ARG A 31 0.840 0.389 9.396 1.00 0.00 O ATOM 464 CB ARG A 31 -0.273 2.620 11.076 1.00 0.00 C ATOM 465 CG ARG A 31 0.888 3.275 11.807 1.00 0.00 C ATOM 466 CD ARG A 31 0.408 4.129 12.970 1.00 0.00 C ATOM 467 NE ARG A 31 -0.121 3.316 14.061 1.00 0.00 N ATOM 468 CZ ARG A 31 -1.406 3.286 14.412 1.00 0.00 C ATOM 469 NH1 ARG A 31 -2.287 4.066 13.796 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.803 2.481 15.384 1.00 0.00 N ATOM 0 H ARG A 31 -2.072 3.266 9.337 1.00 0.00 H new ATOM 0 HA ARG A 31 0.853 3.053 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.192 3.155 11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.393 1.600 11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.567 2.506 12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.455 3.893 11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.234 4.738 13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.364 4.816 12.622 1.00 0.00 H new ATOM 0 HE ARG A 31 0.533 2.736 14.587 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.981 4.691 13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.270 4.039 14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.126 1.886 15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.786 2.455 15.655 1.00 0.00 H new ATOM 484 N CYS A 32 -1.034 0.783 8.221 1.00 0.00 N ATOM 485 CA CYS A 32 -1.059 -0.544 7.623 1.00 0.00 C ATOM 486 C CYS A 32 -0.082 -0.609 6.458 1.00 0.00 C ATOM 487 O CYS A 32 0.592 -1.617 6.257 1.00 0.00 O ATOM 488 CB CYS A 32 -2.462 -0.891 7.138 1.00 0.00 C ATOM 489 SG CYS A 32 -3.595 -1.475 8.439 1.00 0.00 S ATOM 0 H CYS A 32 -1.803 1.390 7.937 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.764 -1.268 8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.896 -0.010 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.386 -1.660 6.369 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.816 -1.159 8.125 1.00 0.00 H new ATOM 494 N LEU A 33 0.030 0.496 5.734 1.00 0.00 N ATOM 495 CA LEU A 33 0.994 0.603 4.651 1.00 0.00 C ATOM 496 C LEU A 33 2.400 0.613 5.239 1.00 0.00 C ATOM 497 O LEU A 33 3.087 -0.411 5.221 1.00 0.00 O ATOM 498 CB LEU A 33 0.734 1.872 3.829 1.00 0.00 C ATOM 499 CG LEU A 33 1.820 2.235 2.811 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.850 1.235 1.667 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.597 3.641 2.277 1.00 0.00 C ATOM 0 H LEU A 33 -0.537 1.332 5.878 1.00 0.00 H new ATOM 0 HA LEU A 33 0.893 -0.252 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.211 1.753 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.610 2.709 4.516 1.00 0.00 H new ATOM 0 HG LEU A 33 2.784 2.201 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.629 1.516 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.058 0.239 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.884 1.232 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.377 3.884 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.623 3.695 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.631 4.353 3.102 1.00 0.00 H new ATOM 513 N LYS A 34 2.724 1.722 5.911 1.00 0.00 N ATOM 514 CA LYS A 34 3.960 1.869 6.694 1.00 0.00 C ATOM 515 C LYS A 34 5.223 1.468 5.916 1.00 0.00 C ATOM 516 O LYS A 34 5.180 1.158 4.726 1.00 0.00 O ATOM 517 CB LYS A 34 3.844 1.074 8.016 1.00 0.00 C ATOM 518 CG LYS A 34 4.398 -0.346 7.971 1.00 0.00 C ATOM 519 CD LYS A 34 3.332 -1.380 8.293 1.00 0.00 C ATOM 520 CE LYS A 34 3.622 -2.705 7.609 1.00 0.00 C ATOM 521 NZ LYS A 34 2.379 -3.380 7.144 1.00 0.00 N ATOM 0 H LYS A 34 2.132 2.552 5.928 1.00 0.00 H new ATOM 0 HA LYS A 34 4.073 2.930 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.364 1.625 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.793 1.028 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.809 -0.544 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.220 -0.438 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.281 -1.529 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.357 -1.011 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.282 -2.536 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.153 -3.360 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.629 -4.228 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.806 -3.656 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.833 -2.728 6.545 1.00 0.00 H new ATOM 535 N CYS A 35 6.348 1.467 6.615 1.00 0.00 N ATOM 536 CA CYS A 35 7.606 1.029 6.047 1.00 0.00 C ATOM 537 C CYS A 35 7.863 -0.410 6.464 1.00 0.00 C ATOM 538 O CYS A 35 7.578 -0.790 7.598 1.00 0.00 O ATOM 539 CB CYS A 35 8.744 1.926 6.539 1.00 0.00 C ATOM 540 SG CYS A 35 10.393 1.522 5.863 1.00 0.00 S ATOM 0 H CYS A 35 6.411 1.769 7.587 1.00 0.00 H new ATOM 0 HA CYS A 35 7.558 1.093 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.507 2.959 6.286 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.789 1.867 7.626 1.00 0.00 H new ATOM 0 HG CYS A 35 11.313 2.009 6.642 1.00 0.00 H new ATOM 545 N SER A 36 8.437 -1.196 5.573 1.00 0.00 N ATOM 546 CA SER A 36 8.769 -2.573 5.887 1.00 0.00 C ATOM 547 C SER A 36 9.993 -2.631 6.801 1.00 0.00 C ATOM 548 O SER A 36 10.357 -3.693 7.304 1.00 0.00 O ATOM 549 CB SER A 36 9.018 -3.363 4.601 1.00 0.00 C ATOM 550 OG SER A 36 8.021 -3.079 3.631 1.00 0.00 O ATOM 0 H SER A 36 8.683 -0.905 4.627 1.00 0.00 H new ATOM 0 HA SER A 36 7.928 -3.025 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.001 -3.114 4.201 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.024 -4.431 4.821 1.00 0.00 H new ATOM 0 HG SER A 36 7.947 -2.109 3.512 1.00 0.00 H new ATOM 556 N SER A 37 10.614 -1.479 7.024 1.00 0.00 N ATOM 557 CA SER A 37 11.790 -1.398 7.873 1.00 0.00 C ATOM 558 C SER A 37 11.534 -0.510 9.093 1.00 0.00 C ATOM 559 O SER A 37 11.895 -0.869 10.215 1.00 0.00 O ATOM 560 CB SER A 37 12.972 -0.871 7.063 1.00 0.00 C ATOM 561 OG SER A 37 12.629 -0.739 5.690 1.00 0.00 O ATOM 0 H SER A 37 10.320 -0.587 6.626 1.00 0.00 H new ATOM 0 HA SER A 37 12.023 -2.398 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.286 0.095 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.820 -1.549 7.166 1.00 0.00 H new ATOM 0 HG SER A 37 11.965 -0.026 5.586 1.00 0.00 H new ATOM 567 N CYS A 38 10.891 0.635 8.879 1.00 0.00 N ATOM 568 CA CYS A 38 10.555 1.526 9.985 1.00 0.00 C ATOM 569 C CYS A 38 9.310 1.034 10.712 1.00 0.00 C ATOM 570 O CYS A 38 9.258 1.042 11.940 1.00 0.00 O ATOM 571 CB CYS A 38 10.309 2.951 9.493 1.00 0.00 C ATOM 572 SG CYS A 38 11.769 3.773 8.781 1.00 0.00 S ATOM 0 H CYS A 38 10.595 0.965 7.960 1.00 0.00 H new ATOM 0 HA CYS A 38 11.404 1.527 10.669 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.519 2.930 8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.942 3.550 10.326 1.00 0.00 H new ATOM 0 HG CYS A 38 12.397 2.944 8.001 1.00 0.00 H new ATOM 577 N GLN A 39 8.295 0.666 9.931 1.00 0.00 N ATOM 578 CA GLN A 39 7.004 0.217 10.457 1.00 0.00 C ATOM 579 C GLN A 39 6.284 1.350 11.186 1.00 0.00 C ATOM 580 O GLN A 39 5.365 1.113 11.971 1.00 0.00 O ATOM 581 CB GLN A 39 7.173 -0.992 11.385 1.00 0.00 C ATOM 582 CG GLN A 39 7.687 -2.238 10.682 1.00 0.00 C ATOM 583 CD GLN A 39 8.321 -3.223 11.643 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.902 -3.340 12.795 1.00 0.00 O ATOM 585 NE2 GLN A 39 9.327 -3.943 11.177 1.00 0.00 N ATOM 0 H GLN A 39 8.344 0.670 8.912 1.00 0.00 H new ATOM 0 HA GLN A 39 6.393 -0.088 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.862 -0.729 12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.213 -1.218 11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.863 -2.723 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.418 -1.950 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.644 -3.815 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.787 -4.627 11.779 1.00 0.00 H new ATOM 594 N ALA A 40 6.697 2.579 10.907 1.00 0.00 N ATOM 595 CA ALA A 40 6.091 3.744 11.520 1.00 0.00 C ATOM 596 C ALA A 40 5.098 4.395 10.565 1.00 0.00 C ATOM 597 O ALA A 40 4.586 3.747 9.652 1.00 0.00 O ATOM 598 CB ALA A 40 7.168 4.732 11.937 1.00 0.00 C ATOM 0 H ALA A 40 7.453 2.791 10.256 1.00 0.00 H new ATOM 0 HA ALA A 40 5.546 3.430 12.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.703 5.604 12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.839 4.258 12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.736 5.043 11.060 1.00 0.00 H new ATOM 604 N GLN A 41 4.869 5.685 10.741 1.00 0.00 N ATOM 605 CA GLN A 41 3.969 6.418 9.869 1.00 0.00 C ATOM 606 C GLN A 41 4.704 6.870 8.612 1.00 0.00 C ATOM 607 O GLN A 41 5.433 7.864 8.625 1.00 0.00 O ATOM 608 CB GLN A 41 3.367 7.617 10.603 1.00 0.00 C ATOM 609 CG GLN A 41 2.033 8.078 10.032 1.00 0.00 C ATOM 610 CD GLN A 41 0.935 7.044 10.192 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.020 5.942 9.654 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.107 7.397 10.926 1.00 0.00 N ATOM 0 H GLN A 41 5.294 6.246 11.480 1.00 0.00 H new ATOM 0 HA GLN A 41 3.155 5.756 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.233 7.359 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.074 8.446 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.731 9.001 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.157 8.309 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.139 8.322 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.879 6.745 11.063 1.00 0.00 H new ATOM 621 N LEU A 42 4.546 6.095 7.546 1.00 0.00 N ATOM 622 CA LEU A 42 5.221 6.360 6.276 1.00 0.00 C ATOM 623 C LEU A 42 4.794 7.707 5.694 1.00 0.00 C ATOM 624 O LEU A 42 5.536 8.333 4.940 1.00 0.00 O ATOM 625 CB LEU A 42 4.912 5.239 5.281 1.00 0.00 C ATOM 626 CG LEU A 42 5.814 5.183 4.047 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.261 4.933 4.445 1.00 0.00 C ATOM 628 CD2 LEU A 42 5.332 4.108 3.088 1.00 0.00 C ATOM 0 H LEU A 42 3.949 5.268 7.534 1.00 0.00 H new ATOM 0 HA LEU A 42 6.295 6.397 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.981 4.285 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.879 5.346 4.949 1.00 0.00 H new ATOM 0 HG LEU A 42 5.763 6.148 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.883 4.897 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.604 5.739 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.334 3.984 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.984 4.080 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.353 3.139 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.313 4.332 2.773 1.00 0.00 H new ATOM 640 N GLY A 43 3.600 8.156 6.064 1.00 0.00 N ATOM 641 CA GLY A 43 3.098 9.422 5.567 1.00 0.00 C ATOM 642 C GLY A 43 3.426 10.587 6.484 1.00 0.00 C ATOM 643 O GLY A 43 2.976 11.706 6.251 1.00 0.00 O ATOM 0 H GLY A 43 2.971 7.665 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.520 9.613 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.017 9.356 5.444 1.00 0.00 H new ATOM 647 N ASP A 44 4.198 10.327 7.536 1.00 0.00 N ATOM 648 CA ASP A 44 4.557 11.374 8.491 1.00 0.00 C ATOM 649 C ASP A 44 5.962 11.893 8.225 1.00 0.00 C ATOM 650 O ASP A 44 6.358 12.948 8.724 1.00 0.00 O ATOM 651 CB ASP A 44 4.466 10.850 9.923 1.00 0.00 C ATOM 652 CG ASP A 44 4.261 11.962 10.931 1.00 0.00 C ATOM 653 OD1 ASP A 44 3.396 12.828 10.695 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.956 11.970 11.968 1.00 0.00 O ATOM 0 H ASP A 44 4.585 9.408 7.749 1.00 0.00 H new ATOM 0 HA ASP A 44 3.850 12.194 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.642 10.140 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.378 10.305 10.167 1.00 0.00 H new ATOM 659 N ILE A 45 6.694 11.168 7.399 1.00 0.00 N ATOM 660 CA ILE A 45 8.044 11.560 7.019 1.00 0.00 C ATOM 661 C ILE A 45 8.047 12.103 5.600 1.00 0.00 C ATOM 662 O ILE A 45 8.913 11.769 4.789 1.00 0.00 O ATOM 663 CB ILE A 45 9.022 10.373 7.113 1.00 0.00 C ATOM 664 CG1 ILE A 45 8.309 9.071 6.746 1.00 0.00 C ATOM 665 CG2 ILE A 45 9.614 10.285 8.511 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.890 8.379 5.532 1.00 0.00 C ATOM 0 H ILE A 45 6.375 10.297 6.974 1.00 0.00 H new ATOM 0 HA ILE A 45 8.373 12.333 7.713 1.00 0.00 H new ATOM 0 HB ILE A 45 9.836 10.532 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.353 8.391 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.256 9.283 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.303 9.442 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.151 11.206 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.813 10.144 9.237 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.333 7.464 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.821 9.040 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.936 8.134 5.719 1.00 0.00 H new ATOM 677 N GLY A 46 6.988 12.811 5.267 1.00 0.00 N ATOM 678 CA GLY A 46 6.790 13.250 3.908 1.00 0.00 C ATOM 679 C GLY A 46 5.819 12.341 3.197 1.00 0.00 C ATOM 680 O GLY A 46 4.931 11.773 3.830 1.00 0.00 O ATOM 0 H GLY A 46 6.255 13.092 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.412 14.272 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.743 13.259 3.380 1.00 0.00 H new ATOM 684 N THR A 47 6.043 12.103 1.919 1.00 0.00 N ATOM 685 CA THR A 47 5.233 11.146 1.192 1.00 0.00 C ATOM 686 C THR A 47 6.085 10.383 0.184 1.00 0.00 C ATOM 687 O THR A 47 6.413 10.894 -0.888 1.00 0.00 O ATOM 688 CB THR A 47 4.069 11.848 0.465 1.00 0.00 C ATOM 689 OG1 THR A 47 4.327 13.255 0.363 1.00 0.00 O ATOM 690 CG2 THR A 47 2.759 11.629 1.204 1.00 0.00 C ATOM 0 H THR A 47 6.772 12.555 1.367 1.00 0.00 H new ATOM 0 HA THR A 47 4.818 10.442 1.914 1.00 0.00 H new ATOM 0 HB THR A 47 3.987 11.418 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.583 13.691 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.952 12.134 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.546 10.561 1.258 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.838 12.035 2.213 1.00 0.00 H new ATOM 698 N SER A 48 6.408 9.141 0.525 1.00 0.00 N ATOM 699 CA SER A 48 7.204 8.281 -0.335 1.00 0.00 C ATOM 700 C SER A 48 6.998 6.825 0.054 1.00 0.00 C ATOM 701 O SER A 48 6.900 6.501 1.235 1.00 0.00 O ATOM 702 CB SER A 48 8.694 8.640 -0.231 1.00 0.00 C ATOM 703 OG SER A 48 8.964 9.914 -0.796 1.00 0.00 O ATOM 0 H SER A 48 6.125 8.705 1.403 1.00 0.00 H new ATOM 0 HA SER A 48 6.881 8.429 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.999 8.633 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.288 7.882 -0.741 1.00 0.00 H new ATOM 0 HG SER A 48 8.120 10.352 -1.033 1.00 0.00 H new ATOM 709 N SER A 49 6.928 5.961 -0.941 1.00 0.00 N ATOM 710 CA SER A 49 6.763 4.535 -0.715 1.00 0.00 C ATOM 711 C SER A 49 7.452 3.764 -1.823 1.00 0.00 C ATOM 712 O SER A 49 7.292 4.089 -2.997 1.00 0.00 O ATOM 713 CB SER A 49 5.283 4.177 -0.663 1.00 0.00 C ATOM 714 OG SER A 49 4.505 5.190 -1.275 1.00 0.00 O ATOM 0 H SER A 49 6.983 6.225 -1.925 1.00 0.00 H new ATOM 0 HA SER A 49 7.215 4.269 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.115 3.226 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.971 4.047 0.373 1.00 0.00 H new ATOM 0 HG SER A 49 3.630 4.825 -1.524 1.00 0.00 H new ATOM 720 N TYR A 50 8.300 2.828 -1.447 1.00 0.00 N ATOM 721 CA TYR A 50 9.079 2.088 -2.425 1.00 0.00 C ATOM 722 C TYR A 50 8.612 0.654 -2.526 1.00 0.00 C ATOM 723 O TYR A 50 8.954 -0.178 -1.687 1.00 0.00 O ATOM 724 CB TYR A 50 10.559 2.124 -2.069 1.00 0.00 C ATOM 725 CG TYR A 50 11.275 3.305 -2.664 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.358 4.503 -1.975 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.859 3.223 -3.918 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.005 5.590 -2.518 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.511 4.307 -4.468 1.00 0.00 C ATOM 730 CZ TYR A 50 12.581 5.488 -3.764 1.00 0.00 C ATOM 731 OH TYR A 50 13.226 6.577 -4.308 1.00 0.00 O ATOM 0 H TYR A 50 8.468 2.561 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 50 8.933 2.567 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.666 2.149 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.033 1.206 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.908 4.586 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.803 2.298 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.060 6.518 -1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.964 4.230 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 50 14.055 6.747 -3.813 1.00 0.00 H new ATOM 741 N THR A 51 7.890 0.361 -3.589 1.00 0.00 N ATOM 742 CA THR A 51 7.433 -0.987 -3.851 1.00 0.00 C ATOM 743 C THR A 51 8.480 -1.763 -4.644 1.00 0.00 C ATOM 744 O THR A 51 8.635 -1.571 -5.853 1.00 0.00 O ATOM 745 CB THR A 51 6.103 -0.974 -4.619 1.00 0.00 C ATOM 746 OG1 THR A 51 5.120 -0.246 -3.869 1.00 0.00 O ATOM 747 CG2 THR A 51 5.605 -2.387 -4.883 1.00 0.00 C ATOM 0 H THR A 51 7.606 1.045 -4.290 1.00 0.00 H new ATOM 0 HA THR A 51 7.277 -1.480 -2.892 1.00 0.00 H new ATOM 0 HB THR A 51 6.269 -0.487 -5.580 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.331 -0.810 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.662 -2.345 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.343 -2.928 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.453 -2.902 -3.935 1.00 0.00 H new ATOM 755 N LYS A 52 9.206 -2.619 -3.947 1.00 0.00 N ATOM 756 CA LYS A 52 10.232 -3.446 -4.558 1.00 0.00 C ATOM 757 C LYS A 52 10.431 -4.693 -3.711 1.00 0.00 C ATOM 758 O LYS A 52 10.403 -4.611 -2.484 1.00 0.00 O ATOM 759 CB LYS A 52 11.548 -2.671 -4.685 1.00 0.00 C ATOM 760 CG LYS A 52 11.970 -2.409 -6.124 1.00 0.00 C ATOM 761 CD LYS A 52 12.134 -0.921 -6.402 1.00 0.00 C ATOM 762 CE LYS A 52 13.369 -0.645 -7.244 1.00 0.00 C ATOM 763 NZ LYS A 52 13.125 0.396 -8.278 1.00 0.00 N ATOM 0 H LYS A 52 9.101 -2.761 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 52 9.915 -3.732 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.449 -1.718 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.337 -3.228 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.910 -2.923 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.226 -2.826 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.250 -0.546 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.207 -0.379 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.185 -0.326 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.690 -1.567 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.995 0.550 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.365 0.082 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.845 1.285 -7.816 1.00 0.00 H new ATOM 777 N SER A 53 10.463 -5.853 -4.361 1.00 0.00 N ATOM 778 CA SER A 53 10.537 -7.139 -3.667 1.00 0.00 C ATOM 779 C SER A 53 9.248 -7.415 -2.903 1.00 0.00 C ATOM 780 O SER A 53 9.244 -8.151 -1.915 1.00 0.00 O ATOM 781 CB SER A 53 11.731 -7.168 -2.707 1.00 0.00 C ATOM 782 OG SER A 53 12.951 -7.065 -3.423 1.00 0.00 O ATOM 0 H SER A 53 10.439 -5.930 -5.378 1.00 0.00 H new ATOM 0 HA SER A 53 10.672 -7.918 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.651 -6.347 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.719 -8.093 -2.131 1.00 0.00 H new ATOM 0 HG SER A 53 13.557 -6.456 -2.951 1.00 0.00 H new ATOM 788 N GLY A 54 8.172 -6.755 -3.316 1.00 0.00 N ATOM 789 CA GLY A 54 6.914 -6.867 -2.605 1.00 0.00 C ATOM 790 C GLY A 54 6.936 -6.079 -1.310 1.00 0.00 C ATOM 791 O GLY A 54 5.985 -6.116 -0.528 1.00 0.00 O ATOM 0 H GLY A 54 8.149 -6.144 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.104 -6.506 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.708 -7.916 -2.391 1.00 0.00 H new ATOM 795 N MET A 55 8.036 -5.374 -1.082 1.00 0.00 N ATOM 796 CA MET A 55 8.210 -4.574 0.118 1.00 0.00 C ATOM 797 C MET A 55 7.799 -3.138 -0.142 1.00 0.00 C ATOM 798 O MET A 55 7.698 -2.709 -1.292 1.00 0.00 O ATOM 799 CB MET A 55 9.668 -4.614 0.584 1.00 0.00 C ATOM 800 CG MET A 55 10.020 -5.846 1.397 1.00 0.00 C ATOM 801 SD MET A 55 11.687 -5.772 2.082 1.00 0.00 S ATOM 802 CE MET A 55 12.512 -7.019 1.098 1.00 0.00 C ATOM 0 H MET A 55 8.829 -5.342 -1.723 1.00 0.00 H new ATOM 0 HA MET A 55 7.576 -4.992 0.900 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.319 -4.568 -0.289 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.873 -3.726 1.182 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.302 -5.958 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.929 -6.731 0.767 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.552 -6.732 0.945 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.473 -7.977 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.014 -7.109 0.132 1.00 0.00 H new ATOM 812 N ILE A 56 7.602 -2.400 0.933 1.00 0.00 N ATOM 813 CA ILE A 56 7.253 -0.986 0.861 1.00 0.00 C ATOM 814 C ILE A 56 8.057 -0.207 1.897 1.00 0.00 C ATOM 815 O ILE A 56 7.744 -0.236 3.088 1.00 0.00 O ATOM 816 CB ILE A 56 5.740 -0.749 1.099 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.910 -1.417 0.003 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.425 0.741 1.159 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.998 -2.507 0.515 1.00 0.00 C ATOM 0 H ILE A 56 7.678 -2.760 1.884 1.00 0.00 H new ATOM 0 HA ILE A 56 7.492 -0.637 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 56 5.479 -1.196 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.310 -0.659 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.582 -1.838 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.357 0.881 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.983 1.198 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.709 1.211 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.440 -2.936 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.593 -3.285 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.301 -2.087 1.241 1.00 0.00 H new ATOM 830 N LEU A 57 9.157 0.388 1.465 1.00 0.00 N ATOM 831 CA LEU A 57 10.047 1.084 2.386 1.00 0.00 C ATOM 832 C LEU A 57 10.013 2.586 2.147 1.00 0.00 C ATOM 833 O LEU A 57 9.360 3.060 1.212 1.00 0.00 O ATOM 834 CB LEU A 57 11.484 0.582 2.228 1.00 0.00 C ATOM 835 CG LEU A 57 11.635 -0.774 1.544 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.656 -0.682 0.426 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.037 -1.836 2.552 1.00 0.00 C ATOM 0 H LEU A 57 9.456 0.405 0.490 1.00 0.00 H new ATOM 0 HA LEU A 57 9.700 0.878 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.048 1.321 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.941 0.524 3.216 1.00 0.00 H new ATOM 0 HG LEU A 57 10.675 -1.060 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.757 -1.655 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.327 0.054 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.619 -0.379 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.140 -2.796 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.988 -1.562 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.272 -1.913 3.325 1.00 0.00 H new ATOM 849 N CYS A 58 10.801 3.313 2.928 1.00 0.00 N ATOM 850 CA CYS A 58 10.947 4.741 2.740 1.00 0.00 C ATOM 851 C CYS A 58 12.057 5.021 1.726 1.00 0.00 C ATOM 852 O CYS A 58 12.752 4.101 1.287 1.00 0.00 O ATOM 853 CB CYS A 58 11.246 5.429 4.079 1.00 0.00 C ATOM 854 SG CYS A 58 12.650 4.721 5.004 1.00 0.00 S ATOM 0 H CYS A 58 11.349 2.931 3.699 1.00 0.00 H new ATOM 0 HA CYS A 58 10.012 5.146 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.446 6.484 3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.355 5.379 4.704 1.00 0.00 H new ATOM 0 HG CYS A 58 12.281 4.465 6.224 1.00 0.00 H new ATOM 859 N ARG A 59 12.232 6.287 1.375 1.00 0.00 N ATOM 860 CA ARG A 59 13.264 6.682 0.424 1.00 0.00 C ATOM 861 C ARG A 59 14.651 6.362 0.969 1.00 0.00 C ATOM 862 O ARG A 59 15.540 5.939 0.230 1.00 0.00 O ATOM 863 CB ARG A 59 13.155 8.176 0.108 1.00 0.00 C ATOM 864 CG ARG A 59 13.760 8.563 -1.235 1.00 0.00 C ATOM 865 CD ARG A 59 12.684 8.872 -2.267 1.00 0.00 C ATOM 866 NE ARG A 59 12.461 10.306 -2.414 1.00 0.00 N ATOM 867 CZ ARG A 59 12.688 10.969 -3.543 1.00 0.00 C ATOM 868 NH1 ARG A 59 13.165 10.324 -4.600 1.00 0.00 N ATOM 869 NH2 ARG A 59 12.447 12.271 -3.620 1.00 0.00 N ATOM 0 H ARG A 59 11.672 7.060 1.735 1.00 0.00 H new ATOM 0 HA ARG A 59 13.114 6.116 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.104 8.465 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.651 8.742 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.403 9.434 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.391 7.751 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.973 8.450 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.752 8.389 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 59 12.113 10.827 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.356 9.324 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.341 10.829 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.084 12.771 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.624 12.772 -4.491 1.00 0.00 H new ATOM 883 N ASN A 60 14.825 6.557 2.268 1.00 0.00 N ATOM 884 CA ASN A 60 16.111 6.315 2.907 1.00 0.00 C ATOM 885 C ASN A 60 16.379 4.821 3.073 1.00 0.00 C ATOM 886 O ASN A 60 17.498 4.355 2.848 1.00 0.00 O ATOM 887 CB ASN A 60 16.170 7.001 4.269 1.00 0.00 C ATOM 888 CG ASN A 60 17.510 6.803 4.952 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.560 7.127 4.396 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.488 6.262 6.160 1.00 0.00 N ATOM 0 H ASN A 60 14.093 6.882 2.900 1.00 0.00 H new ATOM 0 HA ASN A 60 16.882 6.733 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.981 8.067 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.378 6.609 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.361 6.101 6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.598 6.007 6.588 1.00 0.00 H new ATOM 897 N ASP A 61 15.363 4.078 3.498 1.00 0.00 N ATOM 898 CA ASP A 61 15.525 2.646 3.747 1.00 0.00 C ATOM 899 C ASP A 61 15.704 1.884 2.452 1.00 0.00 C ATOM 900 O ASP A 61 16.310 0.816 2.435 1.00 0.00 O ATOM 901 CB ASP A 61 14.332 2.075 4.510 1.00 0.00 C ATOM 902 CG ASP A 61 14.457 2.286 6.002 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.557 2.687 6.461 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.479 2.028 6.725 1.00 0.00 O ATOM 0 H ASP A 61 14.425 4.437 3.677 1.00 0.00 H new ATOM 0 HA ASP A 61 16.421 2.528 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.416 2.545 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.245 1.009 4.301 1.00 0.00 H new ATOM 909 N TYR A 62 15.207 2.451 1.362 1.00 0.00 N ATOM 910 CA TYR A 62 15.353 1.831 0.057 1.00 0.00 C ATOM 911 C TYR A 62 16.829 1.672 -0.289 1.00 0.00 C ATOM 912 O TYR A 62 17.244 0.640 -0.821 1.00 0.00 O ATOM 913 CB TYR A 62 14.654 2.657 -1.026 1.00 0.00 C ATOM 914 CG TYR A 62 14.991 2.193 -2.422 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.476 1.003 -2.913 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.853 2.921 -3.229 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.810 0.551 -4.172 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.186 2.479 -4.492 1.00 0.00 C ATOM 919 CZ TYR A 62 15.666 1.291 -4.956 1.00 0.00 C ATOM 920 OH TYR A 62 16.002 0.839 -6.206 1.00 0.00 O ATOM 0 H TYR A 62 14.701 3.337 1.357 1.00 0.00 H new ATOM 0 HA TYR A 62 14.884 0.848 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.575 2.601 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.937 3.704 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.803 0.421 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.269 3.848 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.402 -0.378 -4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.850 3.061 -5.114 1.00 0.00 H new ATOM 0 HH TYR A 62 16.613 1.476 -6.631 1.00 0.00 H new ATOM 930 N ILE A 63 17.620 2.689 0.035 1.00 0.00 N ATOM 931 CA ILE A 63 19.053 2.665 -0.236 1.00 0.00 C ATOM 932 C ILE A 63 19.744 1.622 0.632 1.00 0.00 C ATOM 933 O ILE A 63 20.714 0.989 0.216 1.00 0.00 O ATOM 934 CB ILE A 63 19.716 4.038 0.007 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.751 5.181 -0.332 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.996 4.159 -0.810 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.371 5.247 -1.796 1.00 0.00 C ATOM 0 H ILE A 63 17.292 3.543 0.487 1.00 0.00 H new ATOM 0 HA ILE A 63 19.168 2.410 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 63 19.968 4.113 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.845 5.068 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.207 6.127 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.453 5.132 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.691 3.372 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.762 4.060 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.687 6.080 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.268 5.392 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.884 4.316 -2.088 1.00 0.00 H new ATOM 948 N ARG A 64 19.192 1.410 1.819 1.00 0.00 N ATOM 949 CA ARG A 64 19.702 0.404 2.735 1.00 0.00 C ATOM 950 C ARG A 64 19.348 -0.991 2.233 1.00 0.00 C ATOM 951 O ARG A 64 20.157 -1.914 2.301 1.00 0.00 O ATOM 952 CB ARG A 64 19.120 0.632 4.138 1.00 0.00 C ATOM 953 CG ARG A 64 19.460 -0.461 5.141 1.00 0.00 C ATOM 954 CD ARG A 64 18.338 -0.658 6.150 1.00 0.00 C ATOM 955 NE ARG A 64 18.185 0.498 7.036 1.00 0.00 N ATOM 956 CZ ARG A 64 17.473 0.489 8.166 1.00 0.00 C ATOM 957 NH1 ARG A 64 16.832 -0.608 8.546 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.413 1.581 8.923 1.00 0.00 N ATOM 0 H ARG A 64 18.385 1.926 2.170 1.00 0.00 H new ATOM 0 HA ARG A 64 20.788 0.488 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 64 19.485 1.586 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.036 0.713 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.645 -1.397 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.381 -0.203 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.402 -0.835 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.540 -1.548 6.747 1.00 0.00 H new ATOM 0 HE ARG A 64 18.652 1.366 6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.881 -1.451 7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.290 -0.608 9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.911 2.425 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.869 1.574 9.786 1.00 0.00 H new ATOM 972 N LEU A 65 18.117 -1.144 1.775 1.00 0.00 N ATOM 973 CA LEU A 65 17.606 -2.438 1.353 1.00 0.00 C ATOM 974 C LEU A 65 18.160 -2.862 -0.005 1.00 0.00 C ATOM 975 O LEU A 65 18.666 -3.975 -0.149 1.00 0.00 O ATOM 976 CB LEU A 65 16.078 -2.401 1.297 1.00 0.00 C ATOM 977 CG LEU A 65 15.361 -3.192 2.397 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.729 -4.667 2.328 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.692 -2.625 3.770 1.00 0.00 C ATOM 0 H LEU A 65 17.447 -0.380 1.685 1.00 0.00 H new ATOM 0 HA LEU A 65 17.935 -3.173 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.754 -1.362 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.757 -2.785 0.329 1.00 0.00 H new ATOM 0 HG LEU A 65 14.287 -3.099 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.209 -5.209 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.437 -5.070 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.805 -4.780 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.173 -3.201 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.767 -2.684 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.373 -1.584 3.820 1.00 0.00 H new ATOM 991 N PHE A 66 17.941 -2.038 -1.022 1.00 0.00 N ATOM 992 CA PHE A 66 18.294 -2.421 -2.388 1.00 0.00 C ATOM 993 C PHE A 66 19.329 -1.476 -2.995 1.00 0.00 C ATOM 994 O PHE A 66 20.101 -1.873 -3.866 1.00 0.00 O ATOM 995 CB PHE A 66 17.038 -2.462 -3.264 1.00 0.00 C ATOM 996 CG PHE A 66 15.882 -3.173 -2.617 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.972 -4.519 -2.299 1.00 0.00 C ATOM 998 CD2 PHE A 66 14.710 -2.497 -2.322 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.916 -5.175 -1.697 1.00 0.00 C ATOM 1000 CE2 PHE A 66 13.652 -3.148 -1.718 1.00 0.00 C ATOM 1001 CZ PHE A 66 13.754 -4.488 -1.407 1.00 0.00 C ATOM 0 H PHE A 66 17.526 -1.111 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 66 18.740 -3.415 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.739 -1.442 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.277 -2.955 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.878 -5.061 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.622 -1.449 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.999 -6.224 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.745 -2.608 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.926 -4.999 -0.937 1.00 0.00 H new ATOM 1011 N GLY A 67 19.335 -0.230 -2.548 1.00 0.00 N ATOM 1012 CA GLY A 67 20.292 0.729 -3.063 1.00 0.00 C ATOM 1013 C GLY A 67 19.767 1.498 -4.255 1.00 0.00 C ATOM 1014 O GLY A 67 19.189 2.572 -4.095 1.00 0.00 O ATOM 0 H GLY A 67 18.697 0.135 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.558 1.430 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.206 0.207 -3.347 1.00 0.00 H new ATOM 1424 N GLU A 102 9.521 5.982 -5.950 1.00 0.00 N ATOM 1425 CA GLU A 102 8.507 6.077 -4.927 1.00 0.00 C ATOM 1426 C GLU A 102 7.184 6.493 -5.568 1.00 0.00 C ATOM 1427 O GLU A 102 6.712 5.826 -6.490 1.00 0.00 O ATOM 1428 CB GLU A 102 8.927 7.049 -3.821 1.00 0.00 C ATOM 1429 CG GLU A 102 9.719 8.246 -4.312 1.00 0.00 C ATOM 1430 CD GLU A 102 8.982 9.548 -4.082 1.00 0.00 C ATOM 1431 OE1 GLU A 102 7.858 9.510 -3.534 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.510 10.608 -4.463 1.00 0.00 O ATOM 0 HA GLU A 102 8.379 5.102 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.034 7.405 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.524 6.509 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.681 8.279 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.928 8.131 -5.376 1.00 0.00 H new ATOM 1439 N ARG A 103 6.646 7.639 -5.147 1.00 0.00 N ATOM 1440 CA ARG A 103 5.410 8.194 -5.711 1.00 0.00 C ATOM 1441 C ARG A 103 4.305 7.146 -5.761 1.00 0.00 C ATOM 1442 O ARG A 103 3.537 7.083 -6.722 1.00 0.00 O ATOM 1443 CB ARG A 103 5.637 8.772 -7.118 1.00 0.00 C ATOM 1444 CG ARG A 103 6.931 9.559 -7.283 1.00 0.00 C ATOM 1445 CD ARG A 103 6.983 10.804 -6.405 1.00 0.00 C ATOM 1446 NE ARG A 103 5.663 11.361 -6.112 1.00 0.00 N ATOM 1447 CZ ARG A 103 5.297 11.797 -4.905 1.00 0.00 C ATOM 1448 NH1 ARG A 103 6.078 11.582 -3.849 1.00 0.00 N ATOM 1449 NH2 ARG A 103 4.129 12.405 -4.749 1.00 0.00 N ATOM 0 H ARG A 103 7.053 8.210 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 103 5.100 9.003 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.632 7.953 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.798 9.422 -7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.776 8.914 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.042 9.852 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.482 10.558 -5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.589 11.564 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 103 4.985 11.419 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.960 11.082 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.794 11.917 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.512 12.539 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.847 12.739 -3.827 1.00 0.00 H new ATOM 1463 N LEU A 104 4.225 6.321 -4.730 1.00 0.00 N ATOM 1464 CA LEU A 104 3.225 5.270 -4.688 1.00 0.00 C ATOM 1465 C LEU A 104 2.116 5.610 -3.701 1.00 0.00 C ATOM 1466 O LEU A 104 0.996 5.113 -3.824 1.00 0.00 O ATOM 1467 CB LEU A 104 3.870 3.930 -4.336 1.00 0.00 C ATOM 1468 CG LEU A 104 4.280 3.084 -5.544 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.734 2.654 -5.431 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.372 1.873 -5.678 1.00 0.00 C ATOM 0 H LEU A 104 4.838 6.359 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 104 2.778 5.188 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.752 4.116 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.173 3.355 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 104 4.175 3.694 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.005 2.054 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.372 3.537 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.869 2.063 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.678 1.283 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.444 1.263 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.342 2.204 -5.811 1.00 0.00 H new ATOM 1482 N ILE A 105 2.409 6.501 -2.757 1.00 0.00 N ATOM 1483 CA ILE A 105 1.407 6.926 -1.790 1.00 0.00 C ATOM 1484 C ILE A 105 0.274 7.672 -2.493 1.00 0.00 C ATOM 1485 O ILE A 105 0.442 8.789 -2.988 1.00 0.00 O ATOM 1486 CB ILE A 105 2.020 7.796 -0.660 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.598 6.896 0.434 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.987 8.746 -0.059 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.492 7.622 1.417 1.00 0.00 C ATOM 0 H ILE A 105 3.324 6.938 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 105 1.002 6.029 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 105 2.816 8.400 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.777 6.431 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.166 6.092 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.452 9.339 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.607 9.409 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.163 8.169 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.862 6.917 2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.334 8.064 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.924 8.408 1.914 1.00 0.00 H new ATOM 1500 N THR A 106 -0.867 7.016 -2.569 1.00 0.00 N ATOM 1501 CA THR A 106 -2.045 7.587 -3.184 1.00 0.00 C ATOM 1502 C THR A 106 -3.087 7.862 -2.108 1.00 0.00 C ATOM 1503 O THR A 106 -3.361 7.003 -1.274 1.00 0.00 O ATOM 1504 CB THR A 106 -2.631 6.629 -4.240 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.586 5.813 -4.795 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.326 7.397 -5.349 1.00 0.00 C ATOM 0 H THR A 106 -1.002 6.072 -2.206 1.00 0.00 H new ATOM 0 HA THR A 106 -1.767 8.516 -3.681 1.00 0.00 H new ATOM 0 HB THR A 106 -3.368 5.993 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.335 5.120 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.730 6.696 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.138 7.990 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.610 8.058 -5.838 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.568 9.085 -2.043 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.490 9.464 -0.991 1.00 0.00 C ATOM 1516 C ARG A 107 -5.673 10.223 -1.563 1.00 0.00 C ATOM 1517 O ARG A 107 -5.516 11.302 -2.132 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.778 10.309 0.065 1.00 0.00 C ATOM 1519 CG ARG A 107 -4.346 10.139 1.463 1.00 0.00 C ATOM 1520 CD ARG A 107 -5.185 11.340 1.869 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.411 12.314 2.633 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.672 13.621 2.662 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -5.639 14.129 1.907 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -3.957 14.423 3.440 1.00 0.00 N ATOM 0 H ARG A 107 -3.339 9.830 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.860 8.555 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.720 10.045 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.841 11.359 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.956 9.237 1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.531 10.005 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.590 11.818 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.034 11.005 2.464 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.620 11.973 3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.187 13.518 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.834 15.130 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.208 14.040 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.157 15.423 3.462 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.857 9.670 -1.376 1.00 0.00 N ATOM 1539 CA LEU A 108 -8.076 10.324 -1.811 1.00 0.00 C ATOM 1540 C LEU A 108 -9.179 10.084 -0.800 1.00 0.00 C ATOM 1541 O LEU A 108 -9.748 8.994 -0.724 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.507 9.821 -3.188 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.246 10.852 -4.040 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -8.259 11.786 -4.720 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -10.125 10.161 -5.066 1.00 0.00 C ATOM 0 H LEU A 108 -7.000 8.767 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.883 11.394 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.623 9.487 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.149 8.950 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.885 11.447 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.803 12.514 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.671 12.307 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.594 11.208 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.644 10.910 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.507 9.542 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.856 9.534 -4.556 1.00 0.00 H new ATOM 1557 N GLU A 109 -9.444 11.095 0.000 1.00 0.00 N ATOM 1558 CA GLU A 109 -10.461 11.003 1.028 1.00 0.00 C ATOM 1559 C GLU A 109 -11.838 11.254 0.436 1.00 0.00 C ATOM 1560 O GLU A 109 -11.968 11.866 -0.627 1.00 0.00 O ATOM 1561 CB GLU A 109 -10.176 12.015 2.137 1.00 0.00 C ATOM 1562 CG GLU A 109 -8.861 11.768 2.856 1.00 0.00 C ATOM 1563 CD GLU A 109 -8.334 13.002 3.559 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -8.478 14.116 3.015 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.761 12.861 4.657 1.00 0.00 O ATOM 0 H GLU A 109 -8.967 11.995 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.441 9.998 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.165 13.018 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.989 11.987 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.996 10.970 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.119 11.421 2.137 1.00 0.00 H new