USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 36 LYS NZ :NH3+ -177:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 2.75 K(o=4,f=-8.2!) USER MOD Set 2.1: A 18 THR OG1 : rot -5:sc= 1.22 USER MOD Set 2.2: A 19 ASN : amide:sc= 0.966 K(o=2.2,f=1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -160:sc= -2.86! USER MOD Single : A 11 THR OG1 : rot 134:sc= 2.11 USER MOD Single : A 15 TYR OH : rot -148:sc= 1.24 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.737 USER MOD Single : A 32 HIS : no HE2:sc= 1 K(o=1,f=-4.8!) USER MOD Single : A 35 SER OG : rot -122:sc= 1.31 USER MOD Single : A 38 THR OG1 : rot -107:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0645 K(o=-0.065,f=-0.58) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0612 (180deg=-0.472) USER MOD Single : A 58 ASN : amide:sc= -0.736 K(o=-0.74,f=-4.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0809 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -9.944 2.512 -3.128 1.00 0.00 N ATOM 77 CA GLU A 7 -9.528 2.792 -1.777 1.00 0.00 C ATOM 78 C GLU A 7 -8.131 3.351 -1.867 1.00 0.00 C ATOM 79 O GLU A 7 -7.268 2.761 -2.519 1.00 0.00 O ATOM 80 CB GLU A 7 -9.562 1.541 -0.897 1.00 0.00 C ATOM 81 CG GLU A 7 -10.951 0.989 -0.698 1.00 0.00 C ATOM 82 CD GLU A 7 -11.007 -0.196 0.237 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.951 -0.004 1.467 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.204 -1.336 -0.231 1.00 0.00 O ATOM 0 HA GLU A 7 -10.210 3.502 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.934 0.772 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.130 1.777 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.593 1.779 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.358 0.696 -1.666 1.00 0.00 H new ATOM 91 N TYR A 8 -7.901 4.500 -1.301 1.00 0.00 N ATOM 92 CA TYR A 8 -6.593 5.094 -1.421 1.00 0.00 C ATOM 93 C TYR A 8 -5.980 5.294 -0.070 1.00 0.00 C ATOM 94 O TYR A 8 -6.635 5.772 0.871 1.00 0.00 O ATOM 95 CB TYR A 8 -6.633 6.414 -2.207 1.00 0.00 C ATOM 96 CG TYR A 8 -7.324 6.296 -3.553 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.650 5.840 -4.674 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.660 6.618 -3.688 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.301 5.715 -5.894 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.313 6.492 -4.889 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.636 6.042 -5.987 1.00 0.00 C ATOM 102 OH TYR A 8 -9.301 5.918 -7.193 1.00 0.00 O ATOM 0 H TYR A 8 -8.581 5.037 -0.763 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.969 4.402 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.145 7.168 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.613 6.767 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.605 5.578 -4.598 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.205 6.978 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.765 5.364 -6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.359 6.748 -4.966 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.236 6.190 -7.081 1.00 0.00 H new ATOM 112 N CYS A 9 -4.753 4.910 0.042 1.00 0.00 N ATOM 113 CA CYS A 9 -4.024 5.042 1.262 1.00 0.00 C ATOM 114 C CYS A 9 -2.777 5.870 1.033 1.00 0.00 C ATOM 115 O CYS A 9 -2.241 5.887 -0.070 1.00 0.00 O ATOM 116 CB CYS A 9 -3.727 3.657 1.855 1.00 0.00 C ATOM 117 SG CYS A 9 -3.146 2.437 0.654 1.00 0.00 S ATOM 0 H CYS A 9 -4.220 4.490 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.626 5.574 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.976 3.764 2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.631 3.278 2.331 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.324 1.240 1.130 1.00 0.00 H new ATOM 123 N ARG A 10 -2.355 6.584 2.039 1.00 0.00 N ATOM 124 CA ARG A 10 -1.207 7.447 1.928 1.00 0.00 C ATOM 125 C ARG A 10 -0.153 6.986 2.904 1.00 0.00 C ATOM 126 O ARG A 10 -0.465 6.696 4.061 1.00 0.00 O ATOM 127 CB ARG A 10 -1.604 8.888 2.239 1.00 0.00 C ATOM 128 CG ARG A 10 -0.512 9.912 1.979 1.00 0.00 C ATOM 129 CD ARG A 10 -0.961 11.294 2.399 1.00 0.00 C ATOM 130 NE ARG A 10 0.011 12.335 2.041 1.00 0.00 N ATOM 131 CZ ARG A 10 0.253 13.436 2.771 1.00 0.00 C ATOM 132 NH1 ARG A 10 -0.333 13.611 3.945 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.077 14.358 2.320 1.00 0.00 N ATOM 0 H ARG A 10 -2.795 6.586 2.959 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.815 7.404 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.478 9.148 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.903 8.952 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.390 9.636 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.254 9.915 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.919 11.519 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.123 11.308 3.477 1.00 0.00 H new ATOM 0 HE ARG A 10 0.540 12.213 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.976 12.905 4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.141 14.451 4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.532 14.237 1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.260 15.194 2.875 1.00 0.00 H new ATOM 147 N THR A 11 1.060 6.899 2.452 1.00 0.00 N ATOM 148 CA THR A 11 2.158 6.482 3.278 1.00 0.00 C ATOM 149 C THR A 11 2.591 7.572 4.245 1.00 0.00 C ATOM 150 O THR A 11 2.709 8.742 3.868 1.00 0.00 O ATOM 151 CB THR A 11 3.329 6.070 2.408 1.00 0.00 C ATOM 152 OG1 THR A 11 3.440 7.005 1.324 1.00 0.00 O ATOM 153 CG2 THR A 11 3.130 4.677 1.866 1.00 0.00 C ATOM 0 H THR A 11 1.321 7.117 1.490 1.00 0.00 H new ATOM 0 HA THR A 11 1.820 5.632 3.871 1.00 0.00 H new ATOM 0 HB THR A 11 4.241 6.071 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.377 7.271 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.983 4.403 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.043 3.973 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.220 4.646 1.267 1.00 0.00 H new ATOM 161 N LEU A 12 2.820 7.185 5.471 1.00 0.00 N ATOM 162 CA LEU A 12 3.271 8.097 6.504 1.00 0.00 C ATOM 163 C LEU A 12 4.752 7.883 6.727 1.00 0.00 C ATOM 164 O LEU A 12 5.447 8.723 7.303 1.00 0.00 O ATOM 165 CB LEU A 12 2.507 7.835 7.800 1.00 0.00 C ATOM 166 CG LEU A 12 0.989 8.004 7.731 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.357 7.616 9.051 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.620 9.437 7.363 1.00 0.00 C ATOM 0 H LEU A 12 2.700 6.224 5.790 1.00 0.00 H new ATOM 0 HA LEU A 12 3.088 9.126 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.725 6.818 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.893 8.506 8.567 1.00 0.00 H new ATOM 0 HG LEU A 12 0.605 7.344 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.724 7.741 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.589 6.575 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.750 8.253 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.465 9.534 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.015 10.119 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.045 9.684 6.390 1.00 0.00 H new ATOM 180 N PHE A 13 5.222 6.747 6.261 1.00 0.00 N ATOM 181 CA PHE A 13 6.602 6.356 6.358 1.00 0.00 C ATOM 182 C PHE A 13 7.011 5.721 5.042 1.00 0.00 C ATOM 183 O PHE A 13 6.152 5.181 4.326 1.00 0.00 O ATOM 184 CB PHE A 13 6.799 5.325 7.494 1.00 0.00 C ATOM 185 CG PHE A 13 6.552 5.840 8.885 1.00 0.00 C ATOM 186 CD1 PHE A 13 5.285 5.792 9.445 1.00 0.00 C ATOM 187 CD2 PHE A 13 7.590 6.364 9.635 1.00 0.00 C ATOM 188 CE1 PHE A 13 5.060 6.257 10.721 1.00 0.00 C ATOM 189 CE2 PHE A 13 7.370 6.829 10.915 1.00 0.00 C ATOM 190 CZ PHE A 13 6.104 6.776 11.459 1.00 0.00 C ATOM 0 H PHE A 13 4.636 6.055 5.793 1.00 0.00 H new ATOM 0 HA PHE A 13 7.210 7.234 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.133 4.481 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.819 4.944 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.464 5.385 8.873 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.583 6.409 9.214 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.067 6.216 11.144 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.189 7.234 11.491 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.930 7.140 12.461 1.00 0.00 H new ATOM 200 N PRO A 14 8.290 5.819 4.665 1.00 0.00 N ATOM 201 CA PRO A 14 8.799 5.149 3.481 1.00 0.00 C ATOM 202 C PRO A 14 9.001 3.654 3.751 1.00 0.00 C ATOM 203 O PRO A 14 9.086 3.221 4.914 1.00 0.00 O ATOM 204 CB PRO A 14 10.141 5.836 3.229 1.00 0.00 C ATOM 205 CG PRO A 14 10.586 6.295 4.573 1.00 0.00 C ATOM 206 CD PRO A 14 9.336 6.612 5.349 1.00 0.00 C ATOM 0 HA PRO A 14 8.120 5.216 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.861 5.148 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.034 6.673 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.169 5.522 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.226 7.174 4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.432 6.329 6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.110 7.678 5.326 1.00 0.00 H new ATOM 214 N TYR A 15 9.081 2.879 2.708 1.00 0.00 N ATOM 215 CA TYR A 15 9.236 1.461 2.826 1.00 0.00 C ATOM 216 C TYR A 15 10.025 0.939 1.640 1.00 0.00 C ATOM 217 O TYR A 15 9.655 1.180 0.499 1.00 0.00 O ATOM 218 CB TYR A 15 7.854 0.802 2.879 1.00 0.00 C ATOM 219 CG TYR A 15 7.885 -0.671 3.169 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.203 -1.124 4.431 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.592 -1.608 2.189 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.230 -2.461 4.720 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.612 -2.955 2.472 1.00 0.00 C ATOM 224 CZ TYR A 15 7.934 -3.373 3.745 1.00 0.00 C ATOM 225 OH TYR A 15 7.937 -4.708 4.050 1.00 0.00 O ATOM 0 H TYR A 15 9.040 3.217 1.746 1.00 0.00 H new ATOM 0 HA TYR A 15 9.777 1.222 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.256 1.299 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.350 0.963 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.435 -0.410 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.345 -1.276 1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.484 -2.795 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.378 -3.677 1.704 1.00 0.00 H new ATOM 0 HH TYR A 15 8.216 -5.223 3.264 1.00 0.00 H new ATOM 235 N THR A 16 11.100 0.253 1.903 1.00 0.00 N ATOM 236 CA THR A 16 11.911 -0.306 0.859 1.00 0.00 C ATOM 237 C THR A 16 11.615 -1.802 0.736 1.00 0.00 C ATOM 238 O THR A 16 11.666 -2.536 1.728 1.00 0.00 O ATOM 239 CB THR A 16 13.413 -0.068 1.157 1.00 0.00 C ATOM 240 OG1 THR A 16 13.623 1.341 1.385 1.00 0.00 O ATOM 241 CG2 THR A 16 14.280 -0.514 -0.013 1.00 0.00 C ATOM 0 H THR A 16 11.439 0.065 2.846 1.00 0.00 H new ATOM 0 HA THR A 16 11.674 0.183 -0.086 1.00 0.00 H new ATOM 0 HB THR A 16 13.692 -0.649 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.570 1.504 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.329 -0.336 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.125 -1.577 -0.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.007 0.051 -0.904 1.00 0.00 H new ATOM 249 N GLY A 17 11.256 -2.231 -0.445 1.00 0.00 N ATOM 250 CA GLY A 17 10.978 -3.623 -0.660 1.00 0.00 C ATOM 251 C GLY A 17 12.245 -4.397 -0.904 1.00 0.00 C ATOM 252 O GLY A 17 13.107 -3.953 -1.662 1.00 0.00 O ATOM 0 H GLY A 17 11.150 -1.638 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.460 -4.032 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.309 -3.736 -1.513 1.00 0.00 H new ATOM 256 N THR A 18 12.380 -5.526 -0.254 1.00 0.00 N ATOM 257 CA THR A 18 13.541 -6.373 -0.416 1.00 0.00 C ATOM 258 C THR A 18 13.220 -7.439 -1.455 1.00 0.00 C ATOM 259 O THR A 18 14.095 -8.126 -1.986 1.00 0.00 O ATOM 260 CB THR A 18 13.958 -7.034 0.930 1.00 0.00 C ATOM 261 OG1 THR A 18 12.875 -7.831 1.483 1.00 0.00 O ATOM 262 CG2 THR A 18 14.361 -5.979 1.940 1.00 0.00 C ATOM 0 H THR A 18 11.689 -5.886 0.404 1.00 0.00 H new ATOM 0 HA THR A 18 14.382 -5.765 -0.748 1.00 0.00 H new ATOM 0 HB THR A 18 14.807 -7.685 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.072 -7.717 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.649 -6.461 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.204 -5.407 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.521 -5.309 2.121 1.00 0.00 H new ATOM 270 N ASN A 19 11.948 -7.560 -1.721 1.00 0.00 N ATOM 271 CA ASN A 19 11.417 -8.456 -2.713 1.00 0.00 C ATOM 272 C ASN A 19 10.850 -7.599 -3.812 1.00 0.00 C ATOM 273 O ASN A 19 10.714 -6.398 -3.628 1.00 0.00 O ATOM 274 CB ASN A 19 10.278 -9.308 -2.121 1.00 0.00 C ATOM 275 CG ASN A 19 10.693 -10.236 -0.999 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.064 -11.381 -1.234 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.627 -9.767 0.226 1.00 0.00 N ATOM 0 H ASN A 19 11.229 -7.021 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 19 12.199 -9.125 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.499 -8.641 -1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.836 -9.903 -2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.888 -10.360 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.314 -8.810 0.390 1.00 0.00 H new ATOM 284 N GLU A 20 10.518 -8.186 -4.932 1.00 0.00 N ATOM 285 CA GLU A 20 9.908 -7.439 -6.019 1.00 0.00 C ATOM 286 C GLU A 20 8.402 -7.385 -5.820 1.00 0.00 C ATOM 287 O GLU A 20 7.722 -6.465 -6.273 1.00 0.00 O ATOM 288 CB GLU A 20 10.265 -8.038 -7.386 1.00 0.00 C ATOM 289 CG GLU A 20 11.663 -7.684 -7.912 1.00 0.00 C ATOM 290 CD GLU A 20 12.820 -8.095 -7.017 1.00 0.00 C ATOM 291 OE1 GLU A 20 13.273 -9.256 -7.109 1.00 0.00 O ATOM 292 OE2 GLU A 20 13.317 -7.255 -6.227 1.00 0.00 O ATOM 0 H GLU A 20 10.657 -9.178 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 20 10.303 -6.423 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.183 -9.123 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.526 -7.705 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.795 -8.154 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.712 -6.606 -8.068 1.00 0.00 H new ATOM 299 N ASP A 21 7.898 -8.392 -5.149 1.00 0.00 N ATOM 300 CA ASP A 21 6.482 -8.482 -4.772 1.00 0.00 C ATOM 301 C ASP A 21 6.191 -7.527 -3.613 1.00 0.00 C ATOM 302 O ASP A 21 5.085 -7.015 -3.456 1.00 0.00 O ATOM 303 CB ASP A 21 6.147 -9.924 -4.395 1.00 0.00 C ATOM 304 CG ASP A 21 4.734 -10.121 -3.907 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.783 -10.033 -4.712 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.558 -10.452 -2.720 1.00 0.00 O ATOM 0 H ASP A 21 8.455 -9.189 -4.839 1.00 0.00 H new ATOM 0 HA ASP A 21 5.856 -8.191 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.313 -10.563 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.837 -10.255 -3.619 1.00 0.00 H new ATOM 311 N GLU A 22 7.212 -7.284 -2.832 1.00 0.00 N ATOM 312 CA GLU A 22 7.181 -6.331 -1.749 1.00 0.00 C ATOM 313 C GLU A 22 7.433 -4.968 -2.396 1.00 0.00 C ATOM 314 O GLU A 22 8.490 -4.743 -2.992 1.00 0.00 O ATOM 315 CB GLU A 22 8.290 -6.703 -0.767 1.00 0.00 C ATOM 316 CG GLU A 22 8.390 -5.877 0.491 1.00 0.00 C ATOM 317 CD GLU A 22 9.548 -6.338 1.353 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.469 -7.008 0.819 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.571 -6.041 2.557 1.00 0.00 O ATOM 0 H GLU A 22 8.111 -7.755 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 22 6.239 -6.318 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.153 -7.745 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.243 -6.640 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.521 -4.827 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.460 -5.952 1.055 1.00 0.00 H new ATOM 326 N LEU A 23 6.482 -4.094 -2.316 1.00 0.00 N ATOM 327 CA LEU A 23 6.536 -2.866 -3.085 1.00 0.00 C ATOM 328 C LEU A 23 7.249 -1.765 -2.289 1.00 0.00 C ATOM 329 O LEU A 23 7.131 -1.688 -1.066 1.00 0.00 O ATOM 330 CB LEU A 23 5.092 -2.473 -3.479 1.00 0.00 C ATOM 331 CG LEU A 23 4.850 -1.739 -4.832 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.403 -0.336 -4.848 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.403 -2.547 -6.002 1.00 0.00 C ATOM 0 H LEU A 23 5.654 -4.196 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 23 7.116 -3.009 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.494 -3.384 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.696 -1.839 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 23 3.769 -1.653 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.203 0.123 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.927 0.252 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.479 -0.367 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.220 -2.011 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.476 -2.690 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.909 -3.518 -6.039 1.00 0.00 H new ATOM 345 N THR A 24 8.007 -0.953 -2.985 1.00 0.00 N ATOM 346 CA THR A 24 8.735 0.136 -2.382 1.00 0.00 C ATOM 347 C THR A 24 7.902 1.420 -2.432 1.00 0.00 C ATOM 348 O THR A 24 7.404 1.811 -3.491 1.00 0.00 O ATOM 349 CB THR A 24 10.088 0.344 -3.099 1.00 0.00 C ATOM 350 OG1 THR A 24 10.890 -0.854 -2.971 1.00 0.00 O ATOM 351 CG2 THR A 24 10.851 1.546 -2.532 1.00 0.00 C ATOM 0 H THR A 24 8.137 -1.030 -3.994 1.00 0.00 H new ATOM 0 HA THR A 24 8.932 -0.112 -1.339 1.00 0.00 H new ATOM 0 HB THR A 24 9.887 0.547 -4.151 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.748 -0.724 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.797 1.659 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.254 2.449 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.046 1.386 -1.472 1.00 0.00 H new ATOM 359 N PHE A 25 7.759 2.054 -1.308 1.00 0.00 N ATOM 360 CA PHE A 25 6.980 3.248 -1.200 1.00 0.00 C ATOM 361 C PHE A 25 7.778 4.328 -0.518 1.00 0.00 C ATOM 362 O PHE A 25 8.633 4.050 0.324 1.00 0.00 O ATOM 363 CB PHE A 25 5.698 3.001 -0.394 1.00 0.00 C ATOM 364 CG PHE A 25 4.739 2.031 -1.018 1.00 0.00 C ATOM 365 CD1 PHE A 25 3.845 2.457 -1.966 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.732 0.703 -0.653 1.00 0.00 C ATOM 367 CE1 PHE A 25 2.955 1.582 -2.551 1.00 0.00 C ATOM 368 CE2 PHE A 25 3.844 -0.176 -1.233 1.00 0.00 C ATOM 369 CZ PHE A 25 2.954 0.264 -2.183 1.00 0.00 C ATOM 0 H PHE A 25 8.185 1.753 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 25 6.713 3.560 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.973 2.633 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.187 3.953 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.838 3.496 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.428 0.348 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.260 1.936 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.847 -1.215 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.258 -0.426 -2.636 1.00 0.00 H new ATOM 379 N ARG A 26 7.542 5.531 -0.903 1.00 0.00 N ATOM 380 CA ARG A 26 8.100 6.662 -0.230 1.00 0.00 C ATOM 381 C ARG A 26 7.015 7.296 0.584 1.00 0.00 C ATOM 382 O ARG A 26 5.865 6.901 0.474 1.00 0.00 O ATOM 383 CB ARG A 26 8.740 7.649 -1.209 1.00 0.00 C ATOM 384 CG ARG A 26 9.982 7.094 -1.894 1.00 0.00 C ATOM 385 CD ARG A 26 11.069 6.767 -0.875 1.00 0.00 C ATOM 386 NE ARG A 26 12.233 6.140 -1.483 1.00 0.00 N ATOM 387 CZ ARG A 26 13.321 5.728 -0.826 1.00 0.00 C ATOM 388 NH1 ARG A 26 13.422 5.915 0.488 1.00 0.00 N ATOM 389 NH2 ARG A 26 14.309 5.138 -1.491 1.00 0.00 N ATOM 0 H ARG A 26 6.952 5.766 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 26 8.908 6.341 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.007 7.925 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.005 8.561 -0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.722 6.196 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.360 7.820 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.376 7.683 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.660 6.104 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 26 12.217 6.004 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.667 6.374 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.254 5.599 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.235 5.001 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.141 4.822 -0.993 1.00 0.00 H new ATOM 403 N GLU A 27 7.364 8.236 1.395 1.00 0.00 N ATOM 404 CA GLU A 27 6.430 8.878 2.287 1.00 0.00 C ATOM 405 C GLU A 27 5.588 9.913 1.541 1.00 0.00 C ATOM 406 O GLU A 27 6.121 10.704 0.760 1.00 0.00 O ATOM 407 CB GLU A 27 7.218 9.552 3.381 1.00 0.00 C ATOM 408 CG GLU A 27 6.402 10.167 4.478 1.00 0.00 C ATOM 409 CD GLU A 27 7.262 10.920 5.441 1.00 0.00 C ATOM 410 OE1 GLU A 27 8.218 10.342 5.988 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.017 12.128 5.646 1.00 0.00 O ATOM 0 H GLU A 27 8.317 8.593 1.466 1.00 0.00 H new ATOM 0 HA GLU A 27 5.751 8.134 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.894 8.820 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.837 10.329 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.660 10.839 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.856 9.387 5.009 1.00 0.00 H new ATOM 418 N GLY A 28 4.288 9.893 1.773 1.00 0.00 N ATOM 419 CA GLY A 28 3.412 10.862 1.168 1.00 0.00 C ATOM 420 C GLY A 28 2.894 10.439 -0.185 1.00 0.00 C ATOM 421 O GLY A 28 2.384 11.272 -0.946 1.00 0.00 O ATOM 0 H GLY A 28 3.822 9.215 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.567 11.042 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.944 11.808 1.066 1.00 0.00 H new ATOM 425 N GLU A 29 3.000 9.173 -0.486 1.00 0.00 N ATOM 426 CA GLU A 29 2.548 8.650 -1.762 1.00 0.00 C ATOM 427 C GLU A 29 1.120 8.170 -1.617 1.00 0.00 C ATOM 428 O GLU A 29 0.719 7.718 -0.537 1.00 0.00 O ATOM 429 CB GLU A 29 3.425 7.472 -2.211 1.00 0.00 C ATOM 430 CG GLU A 29 4.900 7.795 -2.410 1.00 0.00 C ATOM 431 CD GLU A 29 5.164 8.769 -3.529 1.00 0.00 C ATOM 432 OE1 GLU A 29 5.127 8.363 -4.706 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.484 9.939 -3.259 1.00 0.00 O ATOM 0 H GLU A 29 3.399 8.472 0.138 1.00 0.00 H new ATOM 0 HA GLU A 29 2.615 9.441 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.341 6.676 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.027 7.080 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.301 8.204 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.441 6.870 -2.611 1.00 0.00 H new ATOM 440 N ILE A 30 0.357 8.291 -2.672 1.00 0.00 N ATOM 441 CA ILE A 30 -1.003 7.812 -2.686 1.00 0.00 C ATOM 442 C ILE A 30 -1.022 6.461 -3.366 1.00 0.00 C ATOM 443 O ILE A 30 -0.650 6.330 -4.539 1.00 0.00 O ATOM 444 CB ILE A 30 -1.964 8.806 -3.401 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.011 10.148 -2.643 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.374 8.219 -3.555 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.562 10.056 -1.228 1.00 0.00 C ATOM 0 H ILE A 30 0.659 8.723 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.360 7.723 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.573 8.984 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.004 10.562 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.621 10.850 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.016 8.942 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.325 7.304 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.784 7.994 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.558 11.046 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.583 9.675 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.941 9.382 -0.639 1.00 0.00 H new ATOM 459 N ILE A 31 -1.423 5.480 -2.634 1.00 0.00 N ATOM 460 CA ILE A 31 -1.413 4.123 -3.088 1.00 0.00 C ATOM 461 C ILE A 31 -2.799 3.747 -3.548 1.00 0.00 C ATOM 462 O ILE A 31 -3.792 4.055 -2.863 1.00 0.00 O ATOM 463 CB ILE A 31 -1.015 3.170 -1.930 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.294 3.618 -1.275 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.888 1.732 -2.432 1.00 0.00 C ATOM 466 CD1 ILE A 31 0.665 2.807 -0.050 1.00 0.00 C ATOM 0 H ILE A 31 -1.775 5.596 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.694 4.032 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.805 3.209 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.100 3.547 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.210 4.668 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.608 1.081 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.843 1.405 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.122 1.683 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.603 3.179 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.122 2.898 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.782 1.760 -0.329 1.00 0.00 H new ATOM 478 N HIS A 32 -2.878 3.095 -4.681 1.00 0.00 N ATOM 479 CA HIS A 32 -4.138 2.602 -5.174 1.00 0.00 C ATOM 480 C HIS A 32 -4.277 1.222 -4.600 1.00 0.00 C ATOM 481 O HIS A 32 -3.548 0.315 -4.986 1.00 0.00 O ATOM 482 CB HIS A 32 -4.154 2.512 -6.709 1.00 0.00 C ATOM 483 CG HIS A 32 -3.755 3.764 -7.432 1.00 0.00 C ATOM 484 ND1 HIS A 32 -2.963 3.769 -8.550 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.069 5.060 -7.197 1.00 0.00 C ATOM 486 CE1 HIS A 32 -2.816 5.016 -8.951 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.469 5.855 -8.163 1.00 0.00 N ATOM 0 H HIS A 32 -2.079 2.893 -5.282 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.950 3.270 -4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.486 1.707 -7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.158 2.232 -7.029 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.556 2.947 -8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.688 5.418 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.237 5.315 -9.812 1.00 0.00 H new ATOM 495 N LEU A 33 -5.141 1.076 -3.650 1.00 0.00 N ATOM 496 CA LEU A 33 -5.277 -0.161 -2.932 1.00 0.00 C ATOM 497 C LEU A 33 -5.896 -1.239 -3.824 1.00 0.00 C ATOM 498 O LEU A 33 -6.752 -0.960 -4.650 1.00 0.00 O ATOM 499 CB LEU A 33 -6.074 0.113 -1.644 1.00 0.00 C ATOM 500 CG LEU A 33 -6.208 -0.986 -0.592 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.589 -0.338 0.721 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.292 -1.979 -0.974 1.00 0.00 C ATOM 0 H LEU A 33 -5.778 1.811 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.303 -0.555 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.621 0.977 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.081 0.406 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.261 -1.519 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.691 -1.105 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.815 0.370 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.537 0.188 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.365 -2.750 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.247 -1.460 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.043 -2.440 -1.930 1.00 0.00 H new ATOM 514 N ILE A 34 -5.389 -2.441 -3.698 1.00 0.00 N ATOM 515 CA ILE A 34 -5.870 -3.571 -4.459 1.00 0.00 C ATOM 516 C ILE A 34 -6.632 -4.517 -3.532 1.00 0.00 C ATOM 517 O ILE A 34 -7.719 -4.988 -3.864 1.00 0.00 O ATOM 518 CB ILE A 34 -4.694 -4.349 -5.129 1.00 0.00 C ATOM 519 CG1 ILE A 34 -3.832 -3.421 -6.008 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.208 -5.531 -5.950 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.583 -2.750 -7.137 1.00 0.00 C ATOM 0 H ILE A 34 -4.625 -2.666 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.526 -3.197 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.066 -4.736 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.388 -2.652 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.010 -4.000 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.365 -6.053 -6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.752 -6.217 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.874 -5.168 -6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.900 -2.117 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.004 -3.509 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.388 -2.140 -6.727 1.00 0.00 H new ATOM 533 N SER A 35 -6.066 -4.781 -2.363 1.00 0.00 N ATOM 534 CA SER A 35 -6.683 -5.676 -1.411 1.00 0.00 C ATOM 535 C SER A 35 -6.162 -5.379 -0.007 1.00 0.00 C ATOM 536 O SER A 35 -4.995 -4.999 0.155 1.00 0.00 O ATOM 537 CB SER A 35 -6.373 -7.141 -1.788 1.00 0.00 C ATOM 538 OG SER A 35 -7.059 -8.053 -0.941 1.00 0.00 O ATOM 0 H SER A 35 -5.178 -4.384 -2.056 1.00 0.00 H new ATOM 0 HA SER A 35 -7.762 -5.526 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.659 -7.320 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.299 -7.316 -1.719 1.00 0.00 H new ATOM 0 HG SER A 35 -6.410 -8.636 -0.494 1.00 0.00 H new ATOM 544 N LYS A 36 -7.032 -5.532 0.990 1.00 0.00 N ATOM 545 CA LYS A 36 -6.680 -5.376 2.387 1.00 0.00 C ATOM 546 C LYS A 36 -6.536 -6.747 3.035 1.00 0.00 C ATOM 547 O LYS A 36 -6.278 -6.875 4.244 1.00 0.00 O ATOM 548 CB LYS A 36 -7.739 -4.512 3.093 1.00 0.00 C ATOM 549 CG LYS A 36 -7.664 -3.062 2.646 1.00 0.00 C ATOM 550 CD LYS A 36 -8.820 -2.190 3.092 1.00 0.00 C ATOM 551 CE LYS A 36 -8.913 -2.070 4.580 1.00 0.00 C ATOM 552 NZ LYS A 36 -9.722 -0.889 4.984 1.00 0.00 N ATOM 0 H LYS A 36 -8.012 -5.771 0.841 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.722 -4.865 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.732 -4.908 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.596 -4.569 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.737 -2.630 3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.609 -3.036 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.709 -1.196 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.752 -2.604 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.359 -2.975 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.912 -1.988 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.723 -0.807 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.311 -0.028 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.698 -1.004 4.645 1.00 0.00 H new ATOM 566 N GLU A 37 -6.727 -7.766 2.221 1.00 0.00 N ATOM 567 CA GLU A 37 -6.586 -9.130 2.630 1.00 0.00 C ATOM 568 C GLU A 37 -5.533 -9.791 1.758 1.00 0.00 C ATOM 569 O GLU A 37 -5.694 -9.888 0.530 1.00 0.00 O ATOM 570 CB GLU A 37 -7.914 -9.913 2.500 1.00 0.00 C ATOM 571 CG GLU A 37 -9.138 -9.224 3.099 1.00 0.00 C ATOM 572 CD GLU A 37 -9.885 -8.344 2.100 1.00 0.00 C ATOM 573 OE1 GLU A 37 -9.251 -7.729 1.212 1.00 0.00 O ATOM 574 OE2 GLU A 37 -11.147 -8.316 2.140 1.00 0.00 O ATOM 0 H GLU A 37 -6.989 -7.657 1.241 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.293 -9.143 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.104 -10.101 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.793 -10.884 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.820 -9.981 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.825 -8.614 3.946 1.00 0.00 H new ATOM 581 N THR A 38 -4.457 -10.195 2.356 1.00 0.00 N ATOM 582 CA THR A 38 -3.382 -10.858 1.633 1.00 0.00 C ATOM 583 C THR A 38 -3.084 -12.204 2.272 1.00 0.00 C ATOM 584 O THR A 38 -2.165 -12.923 1.874 1.00 0.00 O ATOM 585 CB THR A 38 -2.119 -9.995 1.691 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.892 -9.616 3.056 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.250 -8.754 0.813 1.00 0.00 C ATOM 0 H THR A 38 -4.285 -10.082 3.355 1.00 0.00 H new ATOM 0 HA THR A 38 -3.688 -11.003 0.597 1.00 0.00 H new ATOM 0 HB THR A 38 -1.275 -10.571 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.106 -8.667 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.336 -8.164 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.414 -9.056 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.094 -8.154 1.154 1.00 0.00 H new ATOM 595 N GLY A 39 -3.874 -12.534 3.264 1.00 0.00 N ATOM 596 CA GLY A 39 -3.644 -13.719 4.044 1.00 0.00 C ATOM 597 C GLY A 39 -3.036 -13.334 5.365 1.00 0.00 C ATOM 598 O GLY A 39 -3.106 -14.066 6.349 1.00 0.00 O ATOM 0 H GLY A 39 -4.689 -11.991 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.582 -14.251 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.980 -14.397 3.509 1.00 0.00 H new ATOM 602 N GLU A 40 -2.445 -12.166 5.377 1.00 0.00 N ATOM 603 CA GLU A 40 -1.814 -11.623 6.538 1.00 0.00 C ATOM 604 C GLU A 40 -2.563 -10.379 6.977 1.00 0.00 C ATOM 605 O GLU A 40 -2.922 -9.533 6.141 1.00 0.00 O ATOM 606 CB GLU A 40 -0.365 -11.268 6.219 1.00 0.00 C ATOM 607 CG GLU A 40 0.485 -12.450 5.791 1.00 0.00 C ATOM 608 CD GLU A 40 1.917 -12.065 5.542 1.00 0.00 C ATOM 609 OE1 GLU A 40 2.663 -11.871 6.530 1.00 0.00 O ATOM 610 OE2 GLU A 40 2.329 -11.949 4.364 1.00 0.00 O ATOM 0 H GLU A 40 -2.392 -11.559 4.559 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.830 -12.360 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.352 -10.520 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.087 -10.809 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.447 -13.220 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.066 -12.886 4.884 1.00 0.00 H new ATOM 617 N ALA A 41 -2.802 -10.262 8.260 1.00 0.00 N ATOM 618 CA ALA A 41 -3.486 -9.115 8.797 1.00 0.00 C ATOM 619 C ALA A 41 -2.479 -8.030 9.048 1.00 0.00 C ATOM 620 O ALA A 41 -1.743 -8.055 10.043 1.00 0.00 O ATOM 621 CB ALA A 41 -4.227 -9.457 10.076 1.00 0.00 C ATOM 0 H ALA A 41 -2.529 -10.955 8.957 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.230 -8.776 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.732 -8.567 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.964 -10.234 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.518 -9.816 10.822 1.00 0.00 H new ATOM 627 N GLY A 42 -2.414 -7.108 8.144 1.00 0.00 N ATOM 628 CA GLY A 42 -1.452 -6.067 8.246 1.00 0.00 C ATOM 629 C GLY A 42 -0.766 -5.838 6.943 1.00 0.00 C ATOM 630 O GLY A 42 -0.083 -4.850 6.763 1.00 0.00 O ATOM 0 H GLY A 42 -3.019 -7.057 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.940 -5.148 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.715 -6.322 9.008 1.00 0.00 H new ATOM 634 N TRP A 43 -0.919 -6.761 6.040 1.00 0.00 N ATOM 635 CA TRP A 43 -0.342 -6.614 4.741 1.00 0.00 C ATOM 636 C TRP A 43 -1.408 -6.330 3.727 1.00 0.00 C ATOM 637 O TRP A 43 -2.411 -7.053 3.627 1.00 0.00 O ATOM 638 CB TRP A 43 0.509 -7.823 4.341 1.00 0.00 C ATOM 639 CG TRP A 43 1.816 -7.902 5.074 1.00 0.00 C ATOM 640 CD1 TRP A 43 2.017 -8.276 6.368 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.108 -7.603 4.538 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.353 -8.213 6.673 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.044 -7.806 5.568 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.565 -7.180 3.287 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.409 -7.599 5.383 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.919 -6.976 3.106 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.825 -7.186 4.148 1.00 0.00 C ATOM 0 H TRP A 43 -1.441 -7.626 6.182 1.00 0.00 H new ATOM 0 HA TRP A 43 0.337 -5.762 4.776 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.059 -8.735 4.527 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.704 -7.782 3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.239 -8.578 7.053 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.764 -8.435 7.580 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.871 -7.015 2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.113 -7.759 6.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.283 -6.649 2.143 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.878 -7.018 3.974 1.00 0.00 H new ATOM 658 N TRP A 44 -1.218 -5.268 3.018 1.00 0.00 N ATOM 659 CA TRP A 44 -2.117 -4.848 1.990 1.00 0.00 C ATOM 660 C TRP A 44 -1.435 -4.950 0.670 1.00 0.00 C ATOM 661 O TRP A 44 -0.213 -5.072 0.604 1.00 0.00 O ATOM 662 CB TRP A 44 -2.560 -3.402 2.201 1.00 0.00 C ATOM 663 CG TRP A 44 -3.522 -3.186 3.316 1.00 0.00 C ATOM 664 CD1 TRP A 44 -4.046 -4.122 4.153 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.100 -1.945 3.696 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.923 -3.535 5.019 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.965 -2.203 4.769 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.968 -0.633 3.238 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.692 -1.214 5.382 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.699 0.351 3.855 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.550 0.051 4.918 1.00 0.00 C ATOM 0 H TRP A 44 -0.414 -4.651 3.138 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.996 -5.492 2.022 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.675 -2.792 2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.012 -3.040 1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.804 -5.174 4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.460 -4.020 5.738 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.306 -0.398 2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.354 -1.436 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.614 1.372 3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.111 0.848 5.384 1.00 0.00 H new ATOM 682 N LYS A 45 -2.203 -4.897 -0.367 1.00 0.00 N ATOM 683 CA LYS A 45 -1.675 -4.899 -1.685 1.00 0.00 C ATOM 684 C LYS A 45 -2.088 -3.602 -2.318 1.00 0.00 C ATOM 685 O LYS A 45 -3.267 -3.230 -2.253 1.00 0.00 O ATOM 686 CB LYS A 45 -2.197 -6.101 -2.482 1.00 0.00 C ATOM 687 CG LYS A 45 -1.616 -6.220 -3.884 1.00 0.00 C ATOM 688 CD LYS A 45 -2.067 -7.498 -4.564 1.00 0.00 C ATOM 689 CE LYS A 45 -1.454 -7.632 -5.950 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.721 -8.957 -6.540 1.00 0.00 N ATOM 0 H LYS A 45 -3.221 -4.851 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.589 -4.989 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.974 -7.014 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.282 -6.030 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.923 -5.361 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.527 -6.199 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.784 -8.356 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.154 -7.507 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.855 -6.856 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.378 -7.471 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.288 -9.010 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.316 -9.696 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.748 -9.100 -6.622 1.00 0.00 H new ATOM 704 N GLY A 46 -1.151 -2.916 -2.891 1.00 0.00 N ATOM 705 CA GLY A 46 -1.419 -1.649 -3.475 1.00 0.00 C ATOM 706 C GLY A 46 -0.600 -1.433 -4.707 1.00 0.00 C ATOM 707 O GLY A 46 0.431 -2.082 -4.894 1.00 0.00 O ATOM 0 H GLY A 46 -0.181 -3.222 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.478 -1.577 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.207 -0.861 -2.752 1.00 0.00 H new ATOM 711 N GLU A 47 -1.060 -0.557 -5.538 1.00 0.00 N ATOM 712 CA GLU A 47 -0.413 -0.230 -6.769 1.00 0.00 C ATOM 713 C GLU A 47 0.122 1.185 -6.708 1.00 0.00 C ATOM 714 O GLU A 47 -0.577 2.116 -6.260 1.00 0.00 O ATOM 715 CB GLU A 47 -1.408 -0.453 -7.945 1.00 0.00 C ATOM 716 CG GLU A 47 -0.893 -0.182 -9.371 1.00 0.00 C ATOM 717 CD GLU A 47 -0.857 1.287 -9.752 1.00 0.00 C ATOM 718 OE1 GLU A 47 -1.915 1.850 -10.086 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.213 1.897 -9.745 1.00 0.00 O ATOM 0 H GLU A 47 -1.920 -0.033 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 47 0.444 -0.882 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.754 -1.486 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.278 0.181 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.111 -0.595 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.526 -0.714 -10.081 1.00 0.00 H new ATOM 726 N LEU A 48 1.360 1.327 -7.092 1.00 0.00 N ATOM 727 CA LEU A 48 1.998 2.601 -7.208 1.00 0.00 C ATOM 728 C LEU A 48 2.949 2.557 -8.392 1.00 0.00 C ATOM 729 O LEU A 48 3.671 1.569 -8.579 1.00 0.00 O ATOM 730 CB LEU A 48 2.761 2.978 -5.934 1.00 0.00 C ATOM 731 CG LEU A 48 3.411 4.367 -5.940 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.352 5.456 -6.009 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.284 4.564 -4.727 1.00 0.00 C ATOM 0 H LEU A 48 1.963 0.542 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 48 1.233 3.362 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.074 2.921 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.538 2.233 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 48 4.040 4.435 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.835 6.433 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.767 5.337 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.694 5.379 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.732 5.557 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.680 4.466 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.072 3.811 -4.720 1.00 0.00 H new ATOM 745 N ASN A 49 2.877 3.586 -9.233 1.00 0.00 N ATOM 746 CA ASN A 49 3.755 3.766 -10.413 1.00 0.00 C ATOM 747 C ASN A 49 3.472 2.733 -11.491 1.00 0.00 C ATOM 748 O ASN A 49 4.254 2.578 -12.442 1.00 0.00 O ATOM 749 CB ASN A 49 5.260 3.735 -10.047 1.00 0.00 C ATOM 750 CG ASN A 49 5.676 4.804 -9.057 1.00 0.00 C ATOM 751 OD1 ASN A 49 5.055 5.882 -8.968 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.738 4.546 -8.336 1.00 0.00 N ATOM 0 H ASN A 49 2.198 4.339 -9.121 1.00 0.00 H new ATOM 0 HA ASN A 49 3.522 4.757 -10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.502 2.756 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.847 3.850 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.085 5.239 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.219 3.652 -8.438 1.00 0.00 H new ATOM 759 N GLY A 50 2.358 2.046 -11.365 1.00 0.00 N ATOM 760 CA GLY A 50 1.999 1.041 -12.313 1.00 0.00 C ATOM 761 C GLY A 50 2.407 -0.335 -11.851 1.00 0.00 C ATOM 762 O GLY A 50 2.368 -1.292 -12.625 1.00 0.00 O ATOM 0 H GLY A 50 1.688 2.174 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.922 1.065 -12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.473 1.258 -13.270 1.00 0.00 H new ATOM 766 N LYS A 51 2.837 -0.440 -10.606 1.00 0.00 N ATOM 767 CA LYS A 51 3.222 -1.717 -10.039 1.00 0.00 C ATOM 768 C LYS A 51 2.440 -2.005 -8.793 1.00 0.00 C ATOM 769 O LYS A 51 2.379 -1.186 -7.879 1.00 0.00 O ATOM 770 CB LYS A 51 4.728 -1.833 -9.728 1.00 0.00 C ATOM 771 CG LYS A 51 5.644 -1.900 -10.934 1.00 0.00 C ATOM 772 CD LYS A 51 5.855 -0.546 -11.595 1.00 0.00 C ATOM 773 CE LYS A 51 6.656 -0.685 -12.873 1.00 0.00 C ATOM 774 NZ LYS A 51 5.943 -1.505 -13.885 1.00 0.00 N ATOM 0 H LYS A 51 2.928 0.349 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 51 2.995 -2.454 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.021 -0.978 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.888 -2.726 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.609 -2.304 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.225 -2.593 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.890 -0.090 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.374 0.122 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.859 0.304 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.620 -1.141 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.344 -1.320 -14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.052 -2.513 -13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.933 -1.257 -13.884 1.00 0.00 H new ATOM 788 N GLU A 52 1.832 -3.144 -8.775 1.00 0.00 N ATOM 789 CA GLU A 52 1.085 -3.597 -7.646 1.00 0.00 C ATOM 790 C GLU A 52 1.910 -4.575 -6.826 1.00 0.00 C ATOM 791 O GLU A 52 2.457 -5.556 -7.354 1.00 0.00 O ATOM 792 CB GLU A 52 -0.306 -4.189 -8.037 1.00 0.00 C ATOM 793 CG GLU A 52 -0.307 -5.356 -9.040 1.00 0.00 C ATOM 794 CD GLU A 52 0.048 -4.954 -10.460 1.00 0.00 C ATOM 795 OE1 GLU A 52 1.248 -4.819 -10.771 1.00 0.00 O ATOM 796 OE2 GLU A 52 -0.865 -4.798 -11.287 1.00 0.00 O ATOM 0 H GLU A 52 1.839 -3.799 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 52 0.869 -2.726 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.801 -4.524 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.913 -3.384 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.400 -6.113 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.294 -5.819 -9.041 1.00 0.00 H new ATOM 803 N GLY A 53 2.035 -4.286 -5.572 1.00 0.00 N ATOM 804 CA GLY A 53 2.779 -5.118 -4.683 1.00 0.00 C ATOM 805 C GLY A 53 2.174 -5.081 -3.318 1.00 0.00 C ATOM 806 O GLY A 53 1.113 -4.479 -3.133 1.00 0.00 O ATOM 0 H GLY A 53 1.622 -3.463 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.792 -6.142 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.815 -4.782 -4.639 1.00 0.00 H new ATOM 810 N VAL A 54 2.825 -5.668 -2.366 1.00 0.00 N ATOM 811 CA VAL A 54 2.293 -5.726 -1.024 1.00 0.00 C ATOM 812 C VAL A 54 3.166 -4.948 -0.064 1.00 0.00 C ATOM 813 O VAL A 54 4.352 -4.694 -0.351 1.00 0.00 O ATOM 814 CB VAL A 54 2.114 -7.179 -0.524 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.107 -7.924 -1.384 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.439 -7.913 -0.513 1.00 0.00 C ATOM 0 H VAL A 54 3.732 -6.119 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 54 1.305 -5.267 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 54 1.735 -7.138 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.997 -8.944 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.144 -7.416 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.457 -7.948 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.287 -8.932 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.850 -7.938 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.135 -7.398 0.149 1.00 0.00 H new ATOM 826 N PHE A 55 2.576 -4.556 1.049 1.00 0.00 N ATOM 827 CA PHE A 55 3.242 -3.755 2.050 1.00 0.00 C ATOM 828 C PHE A 55 2.479 -3.847 3.371 1.00 0.00 C ATOM 829 O PHE A 55 1.294 -4.184 3.366 1.00 0.00 O ATOM 830 CB PHE A 55 3.284 -2.284 1.584 1.00 0.00 C ATOM 831 CG PHE A 55 1.921 -1.609 1.458 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.119 -1.822 0.343 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.452 -0.768 2.459 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.114 -1.215 0.233 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.216 -0.158 2.350 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.566 -0.384 1.235 1.00 0.00 C ATOM 0 H PHE A 55 1.611 -4.789 1.283 1.00 0.00 H new ATOM 0 HA PHE A 55 4.258 -4.123 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.892 -1.713 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.786 -2.239 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.466 -2.471 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.060 -0.588 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.726 -1.391 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.137 0.494 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.532 0.091 1.148 1.00 0.00 H new ATOM 846 N PRO A 56 3.134 -3.600 4.512 1.00 0.00 N ATOM 847 CA PRO A 56 2.455 -3.516 5.790 1.00 0.00 C ATOM 848 C PRO A 56 1.720 -2.177 5.889 1.00 0.00 C ATOM 849 O PRO A 56 2.321 -1.105 5.693 1.00 0.00 O ATOM 850 CB PRO A 56 3.591 -3.596 6.829 1.00 0.00 C ATOM 851 CG PRO A 56 4.819 -3.918 6.044 1.00 0.00 C ATOM 852 CD PRO A 56 4.573 -3.400 4.665 1.00 0.00 C ATOM 0 HA PRO A 56 1.712 -4.300 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.702 -2.653 7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.388 -4.364 7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.699 -3.450 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.003 -4.992 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.851 -2.350 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.142 -3.950 3.916 1.00 0.00 H new ATOM 860 N ASP A 57 0.440 -2.231 6.205 1.00 0.00 N ATOM 861 CA ASP A 57 -0.425 -1.039 6.221 1.00 0.00 C ATOM 862 C ASP A 57 -0.011 -0.052 7.298 1.00 0.00 C ATOM 863 O ASP A 57 -0.379 1.106 7.246 1.00 0.00 O ATOM 864 CB ASP A 57 -1.906 -1.401 6.415 1.00 0.00 C ATOM 865 CG ASP A 57 -2.278 -1.732 7.843 1.00 0.00 C ATOM 866 OD1 ASP A 57 -2.075 -2.879 8.274 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.797 -0.841 8.555 1.00 0.00 O ATOM 0 H ASP A 57 -0.040 -3.094 6.459 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.302 -0.571 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.520 -0.568 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.147 -2.254 5.781 1.00 0.00 H new ATOM 872 N ASN A 58 0.767 -0.509 8.257 1.00 0.00 N ATOM 873 CA ASN A 58 1.243 0.341 9.344 1.00 0.00 C ATOM 874 C ASN A 58 2.193 1.453 8.867 1.00 0.00 C ATOM 875 O ASN A 58 2.445 2.409 9.594 1.00 0.00 O ATOM 876 CB ASN A 58 1.840 -0.470 10.525 1.00 0.00 C ATOM 877 CG ASN A 58 2.948 -1.447 10.146 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.671 -1.250 9.194 1.00 0.00 O ATOM 879 ND2 ASN A 58 3.083 -2.505 10.908 1.00 0.00 N ATOM 0 H ASN A 58 1.090 -1.475 8.311 1.00 0.00 H new ATOM 0 HA ASN A 58 0.355 0.843 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.231 0.229 11.264 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.036 -1.026 11.006 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.812 -3.189 10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.459 -2.644 11.703 1.00 0.00 H new ATOM 886 N PHE A 59 2.689 1.354 7.647 1.00 0.00 N ATOM 887 CA PHE A 59 3.519 2.416 7.075 1.00 0.00 C ATOM 888 C PHE A 59 2.655 3.472 6.395 1.00 0.00 C ATOM 889 O PHE A 59 3.153 4.498 5.923 1.00 0.00 O ATOM 890 CB PHE A 59 4.548 1.861 6.077 1.00 0.00 C ATOM 891 CG PHE A 59 5.668 1.092 6.713 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.537 -0.249 6.989 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.851 1.724 7.040 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.564 -0.949 7.582 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.883 1.032 7.630 1.00 0.00 C ATOM 896 CZ PHE A 59 7.738 -0.309 7.903 1.00 0.00 C ATOM 0 H PHE A 59 2.537 0.556 7.030 1.00 0.00 H new ATOM 0 HA PHE A 59 4.062 2.877 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.035 1.213 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.969 2.690 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.619 -0.759 6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.968 2.777 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.447 -2.001 7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.804 1.539 7.878 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.544 -0.857 8.368 1.00 0.00 H new ATOM 906 N ALA A 60 1.364 3.241 6.377 1.00 0.00 N ATOM 907 CA ALA A 60 0.450 4.107 5.698 1.00 0.00 C ATOM 908 C ALA A 60 -0.805 4.305 6.525 1.00 0.00 C ATOM 909 O ALA A 60 -0.923 3.773 7.635 1.00 0.00 O ATOM 910 CB ALA A 60 0.095 3.507 4.335 1.00 0.00 C ATOM 0 H ALA A 60 0.924 2.444 6.836 1.00 0.00 H new ATOM 0 HA ALA A 60 0.922 5.079 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.601 4.167 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.001 3.396 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.368 2.530 4.477 1.00 0.00 H new ATOM 916 N VAL A 61 -1.687 5.111 6.022 1.00 0.00 N ATOM 917 CA VAL A 61 -2.991 5.302 6.585 1.00 0.00 C ATOM 918 C VAL A 61 -3.975 5.361 5.426 1.00 0.00 C ATOM 919 O VAL A 61 -3.670 5.967 4.383 1.00 0.00 O ATOM 920 CB VAL A 61 -3.072 6.598 7.469 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.791 7.868 6.667 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.415 6.695 8.182 1.00 0.00 C ATOM 0 H VAL A 61 -1.517 5.670 5.186 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.230 4.476 7.254 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.288 6.513 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.859 8.735 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.790 7.814 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.523 7.961 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.442 7.602 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.217 6.727 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.549 5.826 8.826 1.00 0.00 H new ATOM 932 N GLN A 62 -5.088 4.690 5.534 1.00 0.00 N ATOM 933 CA GLN A 62 -6.048 4.737 4.471 1.00 0.00 C ATOM 934 C GLN A 62 -6.861 5.991 4.607 1.00 0.00 C ATOM 935 O GLN A 62 -7.361 6.297 5.690 1.00 0.00 O ATOM 936 CB GLN A 62 -6.947 3.505 4.449 1.00 0.00 C ATOM 937 CG GLN A 62 -7.788 3.406 3.182 1.00 0.00 C ATOM 938 CD GLN A 62 -8.643 2.164 3.118 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.311 1.128 3.695 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.721 2.240 2.410 1.00 0.00 N ATOM 0 H GLN A 62 -5.349 4.113 6.334 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.513 4.743 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.331 2.610 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.607 3.528 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.431 4.283 3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.127 3.427 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.965 3.115 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.328 1.425 2.316 1.00 0.00 H new ATOM 949 N ILE A 63 -6.966 6.724 3.537 1.00 0.00 N ATOM 950 CA ILE A 63 -7.707 7.949 3.543 1.00 0.00 C ATOM 951 C ILE A 63 -9.171 7.569 3.482 1.00 0.00 C ATOM 952 O ILE A 63 -9.916 7.710 4.449 1.00 0.00 O ATOM 953 CB ILE A 63 -7.339 8.838 2.313 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.810 9.050 2.207 1.00 0.00 C ATOM 955 CG2 ILE A 63 -8.058 10.179 2.374 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.174 9.733 3.407 1.00 0.00 C ATOM 0 H ILE A 63 -6.542 6.490 2.639 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.477 8.527 4.438 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.669 8.310 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.333 8.081 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.601 9.643 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.784 10.779 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.135 10.014 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.770 10.705 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.102 9.837 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.618 10.719 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.345 9.133 4.300 1.00 0.00 H new ATOM 968 N SER A 64 -9.553 7.040 2.363 1.00 0.00 N ATOM 969 CA SER A 64 -10.840 6.550 2.117 1.00 0.00 C ATOM 970 C SER A 64 -10.671 5.510 1.042 1.00 0.00 C ATOM 971 O SER A 64 -10.147 5.873 -0.035 1.00 0.00 O ATOM 972 CB SER A 64 -11.744 7.669 1.630 1.00 0.00 C ATOM 973 OG SER A 64 -11.766 8.766 2.548 1.00 0.00 O ATOM 974 OXT SER A 64 -11.031 4.346 1.255 1.00 0.00 O ATOM 0 H SER A 64 -8.928 6.941 1.563 1.00 0.00 H new ATOM 0 HA SER A 64 -11.297 6.136 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.401 8.016 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.756 7.287 1.494 1.00 0.00 H new ATOM 0 HG SER A 64 -12.356 9.469 2.204 1.00 0.00 H new