USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -58:sc=0.000454 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc=0.000286 USER MOD Set 2.1: A 81 TYR OH : rot 178:sc= 0.0523 USER MOD Set 2.2: A 87 SER OG : rot 35:sc= 0.0574 USER MOD Set 3.1: A 68 SER OG : rot 41:sc= -0.0387! USER MOD Set 3.2: A 73 TYR OH : rot -50:sc= 1.76 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00228 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-0.8) USER MOD Single : A 41 THR OG1 : rot 51:sc= 0.0961 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -33:sc= 0.146 USER MOD Single : A 52 GLN : amide:sc= 0.54 K(o=0.54,f=-1.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -168:sc= -0.894! (180deg=-1.76!) USER MOD Single : A 69 SER OG : rot 170:sc= 0.00345 USER MOD Single : A 70 SER OG : rot -55:sc= 0.068 USER MOD Single : A 71 THR OG1 : rot 65:sc= 0.604 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.427 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00447 USER MOD Single : A 95 THR OG1 : rot -175:sc= 1.1 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.720 -11.916 -5.587 1.00 0.00 N ATOM 110 CA PRO A 11 -9.048 -11.516 -6.063 1.00 0.00 C ATOM 111 C PRO A 11 -8.974 -10.506 -7.204 1.00 0.00 C ATOM 112 O PRO A 11 -9.679 -10.635 -8.205 1.00 0.00 O ATOM 113 CB PRO A 11 -9.690 -10.880 -4.827 1.00 0.00 C ATOM 114 CG PRO A 11 -8.542 -10.410 -4.003 1.00 0.00 C ATOM 115 CD PRO A 11 -7.431 -11.394 -4.241 1.00 0.00 C ATOM 0 HA PRO A 11 -9.609 -12.360 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.345 -10.053 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.299 -11.601 -4.282 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.240 -9.403 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.810 -10.371 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.453 -10.914 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.430 -12.188 -3.494 1.00 0.00 H new ATOM 123 N ARG A 12 -8.118 -9.503 -7.045 1.00 0.00 N ATOM 124 CA ARG A 12 -7.953 -8.471 -8.062 1.00 0.00 C ATOM 125 C ARG A 12 -6.519 -7.952 -8.083 1.00 0.00 C ATOM 126 O ARG A 12 -5.657 -8.449 -7.358 1.00 0.00 O ATOM 127 CB ARG A 12 -8.922 -7.314 -7.807 1.00 0.00 C ATOM 128 CG ARG A 12 -10.311 -7.546 -8.377 1.00 0.00 C ATOM 129 CD ARG A 12 -10.326 -7.384 -9.889 1.00 0.00 C ATOM 130 NE ARG A 12 -11.627 -7.718 -10.462 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.873 -7.736 -11.768 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.910 -7.442 -12.631 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.083 -8.051 -12.213 1.00 0.00 N ATOM 0 H ARG A 12 -7.528 -9.382 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.174 -8.915 -9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.002 -7.149 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.509 -6.403 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.651 -8.548 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.012 -6.843 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.070 -6.356 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.561 -8.023 -10.330 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.389 -7.950 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.978 -7.201 -12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.101 -7.456 -13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.826 -8.280 -11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.270 -8.064 -13.216 1.00 0.00 H new ATOM 147 N HIS A 13 -6.269 -6.950 -8.920 1.00 0.00 N ATOM 148 CA HIS A 13 -4.939 -6.363 -9.036 1.00 0.00 C ATOM 149 C HIS A 13 -4.849 -5.060 -8.249 1.00 0.00 C ATOM 150 O HIS A 13 -5.863 -4.522 -7.801 1.00 0.00 O ATOM 151 CB HIS A 13 -4.596 -6.111 -10.504 1.00 0.00 C ATOM 152 CG HIS A 13 -4.814 -7.303 -11.384 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.724 -7.318 -12.420 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.232 -8.525 -11.379 1.00 0.00 C ATOM 155 CE1 HIS A 13 -5.693 -8.498 -13.013 1.00 0.00 C ATOM 156 NE2 HIS A 13 -4.796 -9.249 -12.401 1.00 0.00 N ATOM 0 H HIS A 13 -6.971 -6.528 -9.528 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.220 -7.068 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.201 -5.282 -10.873 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.553 -5.802 -10.577 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.467 -8.867 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.299 -8.798 -13.856 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.560 -10.210 -12.647 1.00 0.00 H new ATOM 165 N LEU A 14 -3.631 -4.557 -8.083 1.00 0.00 N ATOM 166 CA LEU A 14 -3.409 -3.316 -7.349 1.00 0.00 C ATOM 167 C LEU A 14 -2.978 -2.196 -8.290 1.00 0.00 C ATOM 168 O LEU A 14 -2.439 -2.449 -9.367 1.00 0.00 O ATOM 169 CB LEU A 14 -2.349 -3.524 -6.266 1.00 0.00 C ATOM 170 CG LEU A 14 -2.864 -3.981 -4.901 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.704 -4.303 -3.972 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.762 -2.917 -4.286 1.00 0.00 C ATOM 0 H LEU A 14 -2.782 -4.989 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.349 -3.028 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.630 -4.260 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.806 -2.588 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.452 -4.888 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.091 -4.626 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.100 -5.100 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.088 -3.414 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.119 -3.259 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.198 -1.993 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.613 -2.735 -4.942 1.00 0.00 H new ATOM 184 N GLY A 15 -3.217 -0.956 -7.875 1.00 0.00 N ATOM 185 CA GLY A 15 -2.845 0.185 -8.692 1.00 0.00 C ATOM 186 C GLY A 15 -2.309 1.338 -7.867 1.00 0.00 C ATOM 187 O GLY A 15 -2.653 1.485 -6.694 1.00 0.00 O ATOM 0 H GLY A 15 -3.662 -0.721 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.090 -0.121 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.713 0.521 -9.259 1.00 0.00 H new ATOM 191 N PHE A 16 -1.464 2.160 -8.481 1.00 0.00 N ATOM 192 CA PHE A 16 -0.877 3.305 -7.795 1.00 0.00 C ATOM 193 C PHE A 16 -1.021 4.573 -8.632 1.00 0.00 C ATOM 194 O PHE A 16 -0.644 4.602 -9.804 1.00 0.00 O ATOM 195 CB PHE A 16 0.601 3.044 -7.494 1.00 0.00 C ATOM 196 CG PHE A 16 0.831 1.855 -6.606 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.696 1.964 -5.231 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.182 0.628 -7.146 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.907 0.872 -4.411 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.394 -0.468 -6.330 1.00 0.00 C ATOM 201 CZ PHE A 16 1.257 -0.345 -4.961 1.00 0.00 C ATOM 0 H PHE A 16 -1.171 2.054 -9.452 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.412 3.448 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.134 2.895 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.029 3.928 -7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.423 2.914 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.291 0.527 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.798 0.970 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.666 -1.419 -6.763 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.423 -1.200 -4.322 1.00 0.00 H new ATOM 211 N SER A 17 -1.570 5.618 -8.022 1.00 0.00 N ATOM 212 CA SER A 17 -1.768 6.888 -8.712 1.00 0.00 C ATOM 213 C SER A 17 -1.378 8.059 -7.816 1.00 0.00 C ATOM 214 O SER A 17 -0.972 7.870 -6.669 1.00 0.00 O ATOM 215 CB SER A 17 -3.227 7.031 -9.151 1.00 0.00 C ATOM 216 OG SER A 17 -3.339 7.888 -10.274 1.00 0.00 O ATOM 0 H SER A 17 -1.886 5.611 -7.052 1.00 0.00 H new ATOM 0 HA SER A 17 -1.127 6.899 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.634 6.050 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.821 7.426 -8.327 1.00 0.00 H new ATOM 0 HG SER A 17 -4.280 7.962 -10.536 1.00 0.00 H new ATOM 222 N ASP A 18 -1.503 9.270 -8.348 1.00 0.00 N ATOM 223 CA ASP A 18 -1.164 10.474 -7.598 1.00 0.00 C ATOM 224 C ASP A 18 0.062 10.240 -6.720 1.00 0.00 C ATOM 225 O ASP A 18 0.195 10.835 -5.650 1.00 0.00 O ATOM 226 CB ASP A 18 -2.348 10.913 -6.735 1.00 0.00 C ATOM 227 CG ASP A 18 -2.382 12.413 -6.519 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.053 13.156 -7.466 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.738 12.844 -5.402 1.00 0.00 O ATOM 0 H ASP A 18 -1.837 9.444 -9.296 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.932 11.264 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.277 10.596 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.296 10.411 -5.769 1.00 0.00 H new ATOM 234 N VAL A 19 0.955 9.370 -7.180 1.00 0.00 N ATOM 235 CA VAL A 19 2.170 9.057 -6.437 1.00 0.00 C ATOM 236 C VAL A 19 3.066 10.284 -6.308 1.00 0.00 C ATOM 237 O VAL A 19 3.087 11.146 -7.187 1.00 0.00 O ATOM 238 CB VAL A 19 2.965 7.924 -7.113 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.209 7.589 -6.304 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.089 6.694 -7.294 1.00 0.00 C ATOM 0 H VAL A 19 0.860 8.869 -8.064 1.00 0.00 H new ATOM 0 HA VAL A 19 1.859 8.731 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 19 3.283 8.264 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.758 6.787 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.844 8.472 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.917 7.268 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.666 5.903 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.740 6.350 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.232 6.946 -7.918 1.00 0.00 H new ATOM 250 N SER A 20 3.805 10.357 -5.205 1.00 0.00 N ATOM 251 CA SER A 20 4.701 11.480 -4.958 1.00 0.00 C ATOM 252 C SER A 20 6.005 11.006 -4.322 1.00 0.00 C ATOM 253 O SER A 20 6.216 9.808 -4.132 1.00 0.00 O ATOM 254 CB SER A 20 4.024 12.511 -4.053 1.00 0.00 C ATOM 255 OG SER A 20 2.905 13.096 -4.695 1.00 0.00 O ATOM 0 H SER A 20 3.800 9.651 -4.468 1.00 0.00 H new ATOM 0 HA SER A 20 4.933 11.945 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.707 12.033 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.739 13.288 -3.783 1.00 0.00 H new ATOM 0 HG SER A 20 2.489 13.750 -4.095 1.00 0.00 H new ATOM 261 N HIS A 21 6.876 11.955 -3.996 1.00 0.00 N ATOM 262 CA HIS A 21 8.160 11.636 -3.381 1.00 0.00 C ATOM 263 C HIS A 21 8.038 11.596 -1.860 1.00 0.00 C ATOM 264 O HIS A 21 9.010 11.318 -1.157 1.00 0.00 O ATOM 265 CB HIS A 21 9.216 12.662 -3.792 1.00 0.00 C ATOM 266 CG HIS A 21 8.728 14.078 -3.740 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.114 14.701 -4.806 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.766 14.991 -2.742 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.796 15.938 -4.465 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.180 16.138 -3.218 1.00 0.00 N ATOM 0 H HIS A 21 6.717 12.951 -4.147 1.00 0.00 H new ATOM 0 HA HIS A 21 8.467 10.650 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.083 12.561 -3.139 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.552 12.439 -4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.180 14.845 -1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.305 16.662 -5.099 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.061 17.004 -2.693 1.00 0.00 H new ATOM 279 N ASP A 22 6.839 11.875 -1.360 1.00 0.00 N ATOM 280 CA ASP A 22 6.591 11.870 0.077 1.00 0.00 C ATOM 281 C ASP A 22 5.347 11.053 0.410 1.00 0.00 C ATOM 282 O ASP A 22 4.907 11.014 1.559 1.00 0.00 O ATOM 283 CB ASP A 22 6.430 13.301 0.593 1.00 0.00 C ATOM 284 CG ASP A 22 7.755 13.932 0.972 1.00 0.00 C ATOM 285 OD1 ASP A 22 8.715 13.812 0.183 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.831 14.546 2.057 1.00 0.00 O ATOM 0 H ASP A 22 6.024 12.107 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 22 7.448 11.410 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.948 13.908 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.770 13.299 1.461 1.00 0.00 H new ATOM 291 N ALA A 23 4.784 10.402 -0.602 1.00 0.00 N ATOM 292 CA ALA A 23 3.591 9.585 -0.417 1.00 0.00 C ATOM 293 C ALA A 23 3.217 8.859 -1.704 1.00 0.00 C ATOM 294 O ALA A 23 3.637 9.250 -2.793 1.00 0.00 O ATOM 295 CB ALA A 23 2.431 10.445 0.063 1.00 0.00 C ATOM 0 H ALA A 23 5.135 10.424 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 23 3.810 8.834 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.547 9.822 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.693 10.912 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.221 11.218 -0.676 1.00 0.00 H new ATOM 301 N ALA A 24 2.424 7.800 -1.573 1.00 0.00 N ATOM 302 CA ALA A 24 1.992 7.021 -2.726 1.00 0.00 C ATOM 303 C ALA A 24 0.562 6.523 -2.548 1.00 0.00 C ATOM 304 O ALA A 24 0.250 5.836 -1.575 1.00 0.00 O ATOM 305 CB ALA A 24 2.936 5.850 -2.955 1.00 0.00 C ATOM 0 H ALA A 24 2.068 7.462 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 24 2.016 7.670 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.601 5.277 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.943 6.225 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.940 5.209 -2.074 1.00 0.00 H new ATOM 311 N ARG A 25 -0.304 6.874 -3.493 1.00 0.00 N ATOM 312 CA ARG A 25 -1.702 6.464 -3.439 1.00 0.00 C ATOM 313 C ARG A 25 -1.867 5.029 -3.928 1.00 0.00 C ATOM 314 O ARG A 25 -1.574 4.717 -5.083 1.00 0.00 O ATOM 315 CB ARG A 25 -2.564 7.404 -4.284 1.00 0.00 C ATOM 316 CG ARG A 25 -4.011 7.483 -3.823 1.00 0.00 C ATOM 317 CD ARG A 25 -4.621 8.841 -4.132 1.00 0.00 C ATOM 318 NE ARG A 25 -5.164 8.901 -5.487 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.053 9.805 -5.883 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.497 10.720 -5.032 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.499 9.796 -7.132 1.00 0.00 N ATOM 0 H ARG A 25 -0.062 7.441 -4.305 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.030 6.516 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.129 8.403 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.540 7.071 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.593 6.702 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.063 7.295 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.413 9.055 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.863 9.615 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.843 8.211 -6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.156 10.731 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.180 11.413 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.159 9.094 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.182 10.491 -7.435 1.00 0.00 H new ATOM 335 N VAL A 26 -2.337 4.157 -3.042 1.00 0.00 N ATOM 336 CA VAL A 26 -2.541 2.754 -3.383 1.00 0.00 C ATOM 337 C VAL A 26 -4.022 2.393 -3.360 1.00 0.00 C ATOM 338 O VAL A 26 -4.667 2.439 -2.312 1.00 0.00 O ATOM 339 CB VAL A 26 -1.783 1.825 -2.416 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.268 2.028 -0.989 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.940 0.373 -2.840 1.00 0.00 C ATOM 0 H VAL A 26 -2.584 4.398 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.151 2.613 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.723 2.078 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.721 1.363 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.098 3.063 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.333 1.804 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.398 -0.269 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.996 0.104 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.538 0.242 -3.845 1.00 0.00 H new ATOM 351 N PHE A 27 -4.555 2.033 -4.523 1.00 0.00 N ATOM 352 CA PHE A 27 -5.962 1.664 -4.637 1.00 0.00 C ATOM 353 C PHE A 27 -6.112 0.284 -5.271 1.00 0.00 C ATOM 354 O PHE A 27 -5.137 -0.307 -5.735 1.00 0.00 O ATOM 355 CB PHE A 27 -6.718 2.704 -5.467 1.00 0.00 C ATOM 356 CG PHE A 27 -6.320 2.720 -6.915 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.245 3.482 -7.343 1.00 0.00 C ATOM 358 CD2 PHE A 27 -7.022 1.974 -7.848 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.876 3.498 -8.675 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.657 1.986 -9.181 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.584 2.750 -9.595 1.00 0.00 C ATOM 0 H PHE A 27 -4.035 1.989 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.386 1.632 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.788 2.507 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.546 3.692 -5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.689 4.070 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.864 1.377 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.035 4.095 -8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.211 1.398 -9.898 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.299 2.763 -10.637 1.00 0.00 H new ATOM 371 N TRP A 28 -7.340 -0.222 -5.285 1.00 0.00 N ATOM 372 CA TRP A 28 -7.618 -1.533 -5.861 1.00 0.00 C ATOM 373 C TRP A 28 -8.939 -1.523 -6.624 1.00 0.00 C ATOM 374 O TRP A 28 -9.656 -0.523 -6.625 1.00 0.00 O ATOM 375 CB TRP A 28 -7.658 -2.597 -4.763 1.00 0.00 C ATOM 376 CG TRP A 28 -8.324 -2.128 -3.505 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.586 -2.435 -3.083 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.763 -1.268 -2.508 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.843 -1.817 -1.883 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.741 -1.095 -1.509 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.530 -0.627 -2.361 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.522 -0.309 -0.381 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.314 0.153 -1.241 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.305 0.307 -0.263 1.00 0.00 C ATOM 0 H TRP A 28 -8.158 0.254 -4.905 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.817 -1.772 -6.560 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.183 -3.476 -5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.639 -2.909 -4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.280 -3.070 -3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.714 -1.885 -1.356 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.760 -0.739 -3.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.285 -0.189 0.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.365 0.653 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.105 0.924 0.601 1.00 0.00 H new ATOM 395 N GLU A 29 -9.252 -2.641 -7.271 1.00 0.00 N ATOM 396 CA GLU A 29 -10.487 -2.758 -8.038 1.00 0.00 C ATOM 397 C GLU A 29 -11.613 -3.319 -7.174 1.00 0.00 C ATOM 398 O GLU A 29 -12.670 -3.692 -7.679 1.00 0.00 O ATOM 399 CB GLU A 29 -10.271 -3.654 -9.259 1.00 0.00 C ATOM 400 CG GLU A 29 -9.278 -3.090 -10.261 1.00 0.00 C ATOM 401 CD GLU A 29 -9.740 -1.778 -10.865 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.883 -1.726 -11.366 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.959 -0.805 -10.836 1.00 0.00 O ATOM 0 H GLU A 29 -8.669 -3.478 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.773 -1.761 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.922 -4.631 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.228 -3.811 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.317 -2.941 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.119 -3.817 -11.058 1.00 0.00 H new ATOM 410 N GLY A 30 -11.376 -3.375 -5.867 1.00 0.00 N ATOM 411 CA GLY A 30 -12.378 -3.892 -4.953 1.00 0.00 C ATOM 412 C GLY A 30 -12.350 -5.405 -4.857 1.00 0.00 C ATOM 413 O GLY A 30 -11.500 -6.056 -5.464 1.00 0.00 O ATOM 0 H GLY A 30 -10.508 -3.072 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.217 -3.465 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.366 -3.570 -5.282 1.00 0.00 H new ATOM 417 N ALA A 31 -13.280 -5.965 -4.091 1.00 0.00 N ATOM 418 CA ALA A 31 -13.359 -7.410 -3.918 1.00 0.00 C ATOM 419 C ALA A 31 -14.742 -7.933 -4.289 1.00 0.00 C ATOM 420 O ALA A 31 -15.749 -7.234 -4.170 1.00 0.00 O ATOM 421 CB ALA A 31 -13.016 -7.789 -2.484 1.00 0.00 C ATOM 0 H ALA A 31 -13.990 -5.440 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.634 -7.872 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.079 -8.871 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.004 -7.458 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.719 -7.310 -1.803 1.00 0.00 H new ATOM 427 N PRO A 32 -14.796 -9.191 -4.750 1.00 0.00 N ATOM 428 CA PRO A 32 -16.051 -9.836 -5.149 1.00 0.00 C ATOM 429 C PRO A 32 -16.955 -10.130 -3.957 1.00 0.00 C ATOM 430 O PRO A 32 -18.111 -10.520 -4.124 1.00 0.00 O ATOM 431 CB PRO A 32 -15.588 -11.139 -5.804 1.00 0.00 C ATOM 432 CG PRO A 32 -14.261 -11.423 -5.188 1.00 0.00 C ATOM 433 CD PRO A 32 -13.635 -10.082 -4.918 1.00 0.00 C ATOM 0 HA PRO A 32 -16.645 -9.201 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.293 -11.949 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.507 -11.031 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.373 -11.994 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.639 -12.017 -5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.011 -10.102 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.999 -9.762 -5.743 1.00 0.00 H new ATOM 441 N ARG A 33 -16.422 -9.941 -2.754 1.00 0.00 N ATOM 442 CA ARG A 33 -17.181 -10.187 -1.535 1.00 0.00 C ATOM 443 C ARG A 33 -17.105 -8.987 -0.595 1.00 0.00 C ATOM 444 O ARG A 33 -16.221 -8.137 -0.704 1.00 0.00 O ATOM 445 CB ARG A 33 -16.657 -11.437 -0.826 1.00 0.00 C ATOM 446 CG ARG A 33 -15.175 -11.687 -1.048 1.00 0.00 C ATOM 447 CD ARG A 33 -14.690 -12.899 -0.267 1.00 0.00 C ATOM 448 NE ARG A 33 -13.353 -13.316 -0.678 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.093 -13.910 -1.838 1.00 0.00 C ATOM 450 NH1 ARG A 33 -14.073 -14.154 -2.696 1.00 0.00 N ATOM 451 NH2 ARG A 33 -11.849 -14.261 -2.140 1.00 0.00 N ATOM 0 H ARG A 33 -15.467 -9.618 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.223 -10.344 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.845 -11.343 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.219 -12.304 -1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.986 -11.838 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.607 -10.807 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.686 -12.666 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.387 -13.725 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.576 -13.142 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.030 -13.886 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.870 -14.610 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.092 -14.075 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.650 -14.717 -3.030 1.00 0.00 H new ATOM 465 N PRO A 34 -18.054 -8.914 0.350 1.00 0.00 N ATOM 466 CA PRO A 34 -18.115 -7.823 1.327 1.00 0.00 C ATOM 467 C PRO A 34 -16.975 -7.884 2.338 1.00 0.00 C ATOM 468 O PRO A 34 -16.461 -8.960 2.644 1.00 0.00 O ATOM 469 CB PRO A 34 -19.460 -8.046 2.024 1.00 0.00 C ATOM 470 CG PRO A 34 -19.732 -9.503 1.865 1.00 0.00 C ATOM 471 CD PRO A 34 -19.139 -9.892 0.539 1.00 0.00 C ATOM 0 HA PRO A 34 -18.021 -6.846 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.412 -7.765 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.247 -7.444 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.282 -10.075 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.803 -9.705 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.761 -10.914 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.875 -9.835 -0.263 1.00 0.00 H new ATOM 479 N VAL A 35 -16.584 -6.723 2.853 1.00 0.00 N ATOM 480 CA VAL A 35 -15.506 -6.645 3.831 1.00 0.00 C ATOM 481 C VAL A 35 -15.854 -5.679 4.958 1.00 0.00 C ATOM 482 O VAL A 35 -16.507 -4.659 4.735 1.00 0.00 O ATOM 483 CB VAL A 35 -14.186 -6.197 3.175 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.061 -6.178 4.199 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.838 -7.104 2.005 1.00 0.00 C ATOM 0 H VAL A 35 -16.998 -5.823 2.609 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.378 -7.646 4.242 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.315 -5.184 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.136 -5.859 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.311 -5.483 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.929 -7.178 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.903 -6.773 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.727 -8.129 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.635 -7.061 1.262 1.00 0.00 H new ATOM 495 N ARG A 36 -15.414 -6.007 6.168 1.00 0.00 N ATOM 496 CA ARG A 36 -15.680 -5.169 7.331 1.00 0.00 C ATOM 497 C ARG A 36 -14.586 -4.120 7.507 1.00 0.00 C ATOM 498 O ARG A 36 -14.870 -2.946 7.749 1.00 0.00 O ATOM 499 CB ARG A 36 -15.785 -6.028 8.592 1.00 0.00 C ATOM 500 CG ARG A 36 -14.499 -6.760 8.939 1.00 0.00 C ATOM 501 CD ARG A 36 -14.629 -7.529 10.245 1.00 0.00 C ATOM 502 NE ARG A 36 -13.330 -7.795 10.855 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.175 -8.463 11.993 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.234 -8.931 12.640 1.00 0.00 N ATOM 505 NH2 ARG A 36 -11.960 -8.666 12.485 1.00 0.00 N ATOM 0 H ARG A 36 -14.872 -6.847 6.369 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.628 -4.657 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.070 -5.393 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.584 -6.758 8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.243 -7.449 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.681 -6.044 9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.246 -6.960 10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.143 -8.472 10.061 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.495 -7.449 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.170 -8.778 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.113 -9.444 13.513 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.143 -8.309 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.843 -9.179 13.359 1.00 0.00 H new ATOM 519 N LEU A 37 -13.336 -4.550 7.383 1.00 0.00 N ATOM 520 CA LEU A 37 -12.198 -3.649 7.529 1.00 0.00 C ATOM 521 C LEU A 37 -11.076 -4.029 6.569 1.00 0.00 C ATOM 522 O LEU A 37 -10.959 -5.184 6.159 1.00 0.00 O ATOM 523 CB LEU A 37 -11.683 -3.673 8.969 1.00 0.00 C ATOM 524 CG LEU A 37 -11.043 -2.381 9.475 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.238 -2.240 10.977 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.563 -2.345 9.123 1.00 0.00 C ATOM 0 H LEU A 37 -13.084 -5.518 7.182 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.532 -2.640 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.515 -3.924 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.952 -4.476 9.059 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.534 -1.540 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.775 -1.314 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.304 -2.219 11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.775 -3.086 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.124 -1.418 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.058 -3.194 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.445 -2.398 8.041 1.00 0.00 H new ATOM 538 N VAL A 38 -10.249 -3.050 6.215 1.00 0.00 N ATOM 539 CA VAL A 38 -9.133 -3.282 5.306 1.00 0.00 C ATOM 540 C VAL A 38 -7.826 -2.767 5.898 1.00 0.00 C ATOM 541 O VAL A 38 -7.661 -1.566 6.114 1.00 0.00 O ATOM 542 CB VAL A 38 -9.369 -2.605 3.943 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.255 -2.959 2.971 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.725 -3.000 3.380 1.00 0.00 C ATOM 0 H VAL A 38 -10.331 -2.088 6.544 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.062 -4.360 5.160 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.362 -1.525 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.439 -2.472 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.300 -2.620 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.226 -4.039 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.875 -2.513 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.764 -4.081 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.510 -2.690 4.070 1.00 0.00 H new ATOM 554 N ARG A 39 -6.899 -3.683 6.157 1.00 0.00 N ATOM 555 CA ARG A 39 -5.605 -3.322 6.725 1.00 0.00 C ATOM 556 C ARG A 39 -4.542 -3.222 5.635 1.00 0.00 C ATOM 557 O ARG A 39 -4.496 -4.045 4.721 1.00 0.00 O ATOM 558 CB ARG A 39 -5.180 -4.350 7.775 1.00 0.00 C ATOM 559 CG ARG A 39 -5.599 -3.985 9.190 1.00 0.00 C ATOM 560 CD ARG A 39 -4.835 -4.796 10.224 1.00 0.00 C ATOM 561 NE ARG A 39 -5.581 -4.935 11.472 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.312 -5.854 12.391 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.318 -6.712 12.204 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.036 -5.917 13.501 1.00 0.00 N ATOM 0 H ARG A 39 -7.019 -4.681 5.983 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.705 -2.347 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.608 -5.319 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.096 -4.462 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.426 -2.922 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.669 -4.157 9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.617 -5.785 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.877 -4.316 10.426 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.352 -4.290 11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.758 -6.666 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.113 -7.417 12.912 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.801 -5.259 13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.828 -6.624 14.206 1.00 0.00 H new ATOM 578 N VAL A 40 -3.689 -2.208 5.739 1.00 0.00 N ATOM 579 CA VAL A 40 -2.626 -2.001 4.763 1.00 0.00 C ATOM 580 C VAL A 40 -1.292 -1.735 5.452 1.00 0.00 C ATOM 581 O VAL A 40 -1.176 -0.828 6.278 1.00 0.00 O ATOM 582 CB VAL A 40 -2.949 -0.825 3.822 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.812 -0.601 2.837 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.259 -1.073 3.090 1.00 0.00 C ATOM 0 H VAL A 40 -3.713 -1.517 6.489 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.552 -2.916 4.176 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.060 0.078 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.058 0.234 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.896 -0.375 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.665 -1.501 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.472 -0.232 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.179 -1.986 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.066 -1.178 3.815 1.00 0.00 H new ATOM 594 N THR A 41 -0.284 -2.530 5.106 1.00 0.00 N ATOM 595 CA THR A 41 1.042 -2.382 5.691 1.00 0.00 C ATOM 596 C THR A 41 2.091 -2.122 4.616 1.00 0.00 C ATOM 597 O THR A 41 2.302 -2.949 3.729 1.00 0.00 O ATOM 598 CB THR A 41 1.445 -3.633 6.495 1.00 0.00 C ATOM 599 OG1 THR A 41 1.189 -4.813 5.725 1.00 0.00 O ATOM 600 CG2 THR A 41 0.681 -3.702 7.808 1.00 0.00 C ATOM 0 H THR A 41 -0.362 -3.283 4.423 1.00 0.00 H new ATOM 0 HA THR A 41 0.996 -1.526 6.365 1.00 0.00 H new ATOM 0 HB THR A 41 2.510 -3.568 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.592 -4.718 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.982 -4.594 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.901 -2.816 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.389 -3.746 7.605 1.00 0.00 H new ATOM 608 N TYR A 42 2.747 -0.970 4.702 1.00 0.00 N ATOM 609 CA TYR A 42 3.773 -0.601 3.735 1.00 0.00 C ATOM 610 C TYR A 42 5.152 -0.573 4.388 1.00 0.00 C ATOM 611 O TYR A 42 5.288 -0.241 5.565 1.00 0.00 O ATOM 612 CB TYR A 42 3.459 0.765 3.123 1.00 0.00 C ATOM 613 CG TYR A 42 3.206 1.846 4.150 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.013 1.890 4.861 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.160 2.822 4.410 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.777 2.875 5.800 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.933 3.810 5.348 1.00 0.00 C ATOM 618 CZ TYR A 42 2.740 3.833 6.040 1.00 0.00 C ATOM 619 OH TYR A 42 2.510 4.815 6.976 1.00 0.00 O ATOM 0 H TYR A 42 2.586 -0.276 5.432 1.00 0.00 H new ATOM 0 HA TYR A 42 3.779 -1.353 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.290 1.068 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.583 0.673 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.257 1.141 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.095 2.808 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.844 2.895 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.686 4.561 5.539 1.00 0.00 H new ATOM 0 HH TYR A 42 3.288 5.409 7.024 1.00 0.00 H new ATOM 629 N VAL A 43 6.173 -0.925 3.613 1.00 0.00 N ATOM 630 CA VAL A 43 7.543 -0.939 4.113 1.00 0.00 C ATOM 631 C VAL A 43 8.524 -0.473 3.043 1.00 0.00 C ATOM 632 O VAL A 43 8.275 -0.629 1.848 1.00 0.00 O ATOM 633 CB VAL A 43 7.951 -2.346 4.591 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.892 -3.338 3.440 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.341 -2.315 5.209 1.00 0.00 C ATOM 0 H VAL A 43 6.077 -1.204 2.637 1.00 0.00 H new ATOM 0 HA VAL A 43 7.579 -0.251 4.958 1.00 0.00 H new ATOM 0 HB VAL A 43 7.245 -2.671 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.183 -4.326 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.876 -3.379 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.574 -3.021 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.614 -3.317 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.061 -1.970 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.345 -1.636 6.062 1.00 0.00 H new ATOM 645 N SER A 44 9.641 0.099 3.481 1.00 0.00 N ATOM 646 CA SER A 44 10.659 0.592 2.561 1.00 0.00 C ATOM 647 C SER A 44 11.509 -0.557 2.027 1.00 0.00 C ATOM 648 O SER A 44 11.700 -1.569 2.701 1.00 0.00 O ATOM 649 CB SER A 44 11.551 1.621 3.258 1.00 0.00 C ATOM 650 OG SER A 44 12.731 1.862 2.510 1.00 0.00 O ATOM 0 H SER A 44 9.864 0.232 4.467 1.00 0.00 H new ATOM 0 HA SER A 44 10.155 1.069 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.002 2.554 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.814 1.264 4.254 1.00 0.00 H new ATOM 0 HG SER A 44 13.284 2.524 2.975 1.00 0.00 H new ATOM 714 N SER A 50 8.508 1.510 8.218 1.00 0.00 N ATOM 715 CA SER A 50 7.274 0.851 7.807 1.00 0.00 C ATOM 716 C SER A 50 6.065 1.495 8.479 1.00 0.00 C ATOM 717 O SER A 50 6.206 2.295 9.403 1.00 0.00 O ATOM 718 CB SER A 50 7.328 -0.639 8.150 1.00 0.00 C ATOM 719 OG SER A 50 7.638 -0.837 9.518 1.00 0.00 O ATOM 0 HA SER A 50 7.172 0.965 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.369 -1.103 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.077 -1.131 7.529 1.00 0.00 H new ATOM 0 HG SER A 50 8.233 -0.121 9.826 1.00 0.00 H new ATOM 725 N GLY A 51 4.874 1.140 8.005 1.00 0.00 N ATOM 726 CA GLY A 51 3.656 1.692 8.570 1.00 0.00 C ATOM 727 C GLY A 51 2.453 0.799 8.340 1.00 0.00 C ATOM 728 O GLY A 51 2.515 -0.143 7.550 1.00 0.00 O ATOM 0 H GLY A 51 4.731 0.480 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.792 1.844 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.467 2.671 8.131 1.00 0.00 H new ATOM 732 N GLN A 52 1.358 1.094 9.032 1.00 0.00 N ATOM 733 CA GLN A 52 0.137 0.308 8.901 1.00 0.00 C ATOM 734 C GLN A 52 -1.097 1.201 8.985 1.00 0.00 C ATOM 735 O GLN A 52 -1.401 1.760 10.040 1.00 0.00 O ATOM 736 CB GLN A 52 0.078 -0.768 9.986 1.00 0.00 C ATOM 737 CG GLN A 52 -1.121 -1.694 9.861 1.00 0.00 C ATOM 738 CD GLN A 52 -1.088 -2.831 10.862 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.209 -3.692 10.813 1.00 0.00 O ATOM 740 NE2 GLN A 52 -2.048 -2.841 11.780 1.00 0.00 N ATOM 0 H GLN A 52 1.291 1.871 9.689 1.00 0.00 H new ATOM 0 HA GLN A 52 0.148 -0.174 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.991 -1.362 9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.054 -0.286 10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.036 -1.118 10.001 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.154 -2.105 8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.757 -2.108 11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.076 -3.582 12.481 1.00 0.00 H new ATOM 749 N THR A 53 -1.804 1.332 7.867 1.00 0.00 N ATOM 750 CA THR A 53 -3.004 2.159 7.815 1.00 0.00 C ATOM 751 C THR A 53 -4.256 1.301 7.676 1.00 0.00 C ATOM 752 O THR A 53 -4.256 0.298 6.963 1.00 0.00 O ATOM 753 CB THR A 53 -2.947 3.157 6.643 1.00 0.00 C ATOM 754 OG1 THR A 53 -3.963 4.154 6.799 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.130 2.442 5.313 1.00 0.00 C ATOM 0 H THR A 53 -1.567 0.876 6.986 1.00 0.00 H new ATOM 0 HA THR A 53 -3.048 2.713 8.753 1.00 0.00 H new ATOM 0 HB THR A 53 -1.967 3.634 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.919 4.786 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.086 3.168 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.338 1.705 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.098 1.941 5.300 1.00 0.00 H new ATOM 763 N GLU A 54 -5.322 1.703 8.361 1.00 0.00 N ATOM 764 CA GLU A 54 -6.582 0.970 8.313 1.00 0.00 C ATOM 765 C GLU A 54 -7.624 1.731 7.500 1.00 0.00 C ATOM 766 O GLU A 54 -7.693 2.959 7.554 1.00 0.00 O ATOM 767 CB GLU A 54 -7.106 0.720 9.729 1.00 0.00 C ATOM 768 CG GLU A 54 -6.581 -0.561 10.355 1.00 0.00 C ATOM 769 CD GLU A 54 -5.173 -0.411 10.897 1.00 0.00 C ATOM 770 OE1 GLU A 54 -4.784 0.729 11.228 1.00 0.00 O ATOM 771 OE2 GLU A 54 -4.460 -1.432 10.990 1.00 0.00 O ATOM 0 H GLU A 54 -5.338 2.532 8.955 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.397 0.012 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.832 1.563 10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.195 0.682 9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.247 -0.866 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.597 -1.358 9.611 1.00 0.00 H new ATOM 778 N ALA A 55 -8.433 0.994 6.746 1.00 0.00 N ATOM 779 CA ALA A 55 -9.473 1.598 5.923 1.00 0.00 C ATOM 780 C ALA A 55 -10.760 0.784 5.979 1.00 0.00 C ATOM 781 O ALA A 55 -10.752 -0.418 6.247 1.00 0.00 O ATOM 782 CB ALA A 55 -8.994 1.734 4.485 1.00 0.00 C ATOM 0 H ALA A 55 -8.388 -0.023 6.688 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.685 2.591 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.780 2.187 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.105 2.365 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.753 0.748 4.087 1.00 0.00 H new ATOM 788 N PRO A 56 -11.895 1.450 5.721 1.00 0.00 N ATOM 789 CA PRO A 56 -13.212 0.807 5.737 1.00 0.00 C ATOM 790 C PRO A 56 -13.400 -0.158 4.571 1.00 0.00 C ATOM 791 O PRO A 56 -12.921 0.088 3.465 1.00 0.00 O ATOM 792 CB PRO A 56 -14.183 1.985 5.617 1.00 0.00 C ATOM 793 CG PRO A 56 -13.401 3.053 4.934 1.00 0.00 C ATOM 794 CD PRO A 56 -11.980 2.884 5.394 1.00 0.00 C ATOM 0 HA PRO A 56 -13.360 0.204 6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.067 1.712 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.530 2.313 6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.474 2.958 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.780 4.041 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.270 3.161 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.761 3.507 6.261 1.00 0.00 H new ATOM 802 N GLY A 57 -14.100 -1.259 4.828 1.00 0.00 N ATOM 803 CA GLY A 57 -14.338 -2.245 3.790 1.00 0.00 C ATOM 804 C GLY A 57 -14.902 -1.630 2.524 1.00 0.00 C ATOM 805 O GLY A 57 -14.882 -2.251 1.462 1.00 0.00 O ATOM 0 H GLY A 57 -14.506 -1.485 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.404 -2.756 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.030 -3.000 4.163 1.00 0.00 H new ATOM 809 N ASN A 58 -15.406 -0.406 2.637 1.00 0.00 N ATOM 810 CA ASN A 58 -15.980 0.293 1.492 1.00 0.00 C ATOM 811 C ASN A 58 -14.913 1.095 0.754 1.00 0.00 C ATOM 812 O ASN A 58 -14.987 1.275 -0.462 1.00 0.00 O ATOM 813 CB ASN A 58 -17.107 1.222 1.948 1.00 0.00 C ATOM 814 CG ASN A 58 -18.232 0.472 2.635 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.491 -0.693 2.333 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.907 1.139 3.564 1.00 0.00 N ATOM 0 H ASN A 58 -15.429 0.123 3.509 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.386 -0.453 0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.704 1.971 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.504 1.757 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.675 0.687 4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.657 2.104 3.782 1.00 0.00 H new ATOM 823 N ALA A 59 -13.920 1.573 1.496 1.00 0.00 N ATOM 824 CA ALA A 59 -12.836 2.353 0.912 1.00 0.00 C ATOM 825 C ALA A 59 -12.033 1.520 -0.081 1.00 0.00 C ATOM 826 O ALA A 59 -11.373 0.551 0.295 1.00 0.00 O ATOM 827 CB ALA A 59 -11.927 2.895 2.005 1.00 0.00 C ATOM 0 H ALA A 59 -13.844 1.434 2.504 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.276 3.191 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.122 3.475 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.504 3.533 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.503 2.065 2.571 1.00 0.00 H new ATOM 833 N THR A 60 -12.095 1.902 -1.353 1.00 0.00 N ATOM 834 CA THR A 60 -11.376 1.189 -2.401 1.00 0.00 C ATOM 835 C THR A 60 -10.116 1.941 -2.813 1.00 0.00 C ATOM 836 O THR A 60 -9.451 1.575 -3.782 1.00 0.00 O ATOM 837 CB THR A 60 -12.261 0.973 -3.643 1.00 0.00 C ATOM 838 OG1 THR A 60 -13.002 2.164 -3.929 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.220 -0.188 -3.429 1.00 0.00 C ATOM 0 H THR A 60 -12.636 2.702 -1.682 1.00 0.00 H new ATOM 0 HA THR A 60 -11.098 0.219 -1.989 1.00 0.00 H new ATOM 0 HB THR A 60 -11.613 0.737 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.561 2.019 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.834 -0.321 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.652 -1.099 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.862 0.023 -2.574 1.00 0.00 H new ATOM 847 N SER A 61 -9.792 2.996 -2.071 1.00 0.00 N ATOM 848 CA SER A 61 -8.613 3.802 -2.362 1.00 0.00 C ATOM 849 C SER A 61 -8.016 4.374 -1.079 1.00 0.00 C ATOM 850 O SER A 61 -8.740 4.826 -0.193 1.00 0.00 O ATOM 851 CB SER A 61 -8.970 4.938 -3.322 1.00 0.00 C ATOM 852 OG SER A 61 -10.314 5.351 -3.147 1.00 0.00 O ATOM 0 H SER A 61 -10.330 3.312 -1.264 1.00 0.00 H new ATOM 0 HA SER A 61 -7.870 3.158 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.302 5.783 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.818 4.610 -4.350 1.00 0.00 H new ATOM 0 HG SER A 61 -10.516 6.079 -3.771 1.00 0.00 H new ATOM 858 N ALA A 62 -6.690 4.350 -0.989 1.00 0.00 N ATOM 859 CA ALA A 62 -5.995 4.868 0.183 1.00 0.00 C ATOM 860 C ALA A 62 -4.579 5.310 -0.169 1.00 0.00 C ATOM 861 O ALA A 62 -3.980 4.806 -1.119 1.00 0.00 O ATOM 862 CB ALA A 62 -5.964 3.818 1.284 1.00 0.00 C ATOM 0 H ALA A 62 -6.076 3.978 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.541 5.740 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.442 4.218 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.984 3.553 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.444 2.930 0.925 1.00 0.00 H new ATOM 868 N MET A 63 -4.050 6.255 0.601 1.00 0.00 N ATOM 869 CA MET A 63 -2.704 6.764 0.369 1.00 0.00 C ATOM 870 C MET A 63 -1.805 6.492 1.572 1.00 0.00 C ATOM 871 O MET A 63 -2.286 6.324 2.693 1.00 0.00 O ATOM 872 CB MET A 63 -2.746 8.266 0.079 1.00 0.00 C ATOM 873 CG MET A 63 -2.775 9.126 1.332 1.00 0.00 C ATOM 874 SD MET A 63 -2.535 10.878 0.977 1.00 0.00 S ATOM 875 CE MET A 63 -1.473 10.790 -0.463 1.00 0.00 C ATOM 0 H MET A 63 -4.533 6.683 1.391 1.00 0.00 H new ATOM 0 HA MET A 63 -2.291 6.246 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.875 8.537 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.627 8.487 -0.524 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.730 8.990 1.840 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.998 8.788 2.018 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.064 11.778 -0.674 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.657 10.093 -0.271 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.051 10.445 -1.321 1.00 0.00 H new ATOM 885 N LEU A 64 -0.499 6.451 1.331 1.00 0.00 N ATOM 886 CA LEU A 64 0.467 6.199 2.395 1.00 0.00 C ATOM 887 C LEU A 64 1.487 7.330 2.483 1.00 0.00 C ATOM 888 O LEU A 64 1.702 8.062 1.518 1.00 0.00 O ATOM 889 CB LEU A 64 1.183 4.868 2.156 1.00 0.00 C ATOM 890 CG LEU A 64 0.318 3.728 1.617 1.00 0.00 C ATOM 891 CD1 LEU A 64 1.162 2.755 0.808 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.386 3.007 2.757 1.00 0.00 C ATOM 0 H LEU A 64 -0.085 6.589 0.409 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.074 6.149 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.001 5.039 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.630 4.545 3.096 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.441 4.153 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.530 1.950 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.618 3.280 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.943 2.337 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.997 2.199 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.356 2.595 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.023 3.710 3.294 1.00 0.00 H new ATOM 904 N GLY A 65 2.114 7.465 3.648 1.00 0.00 N ATOM 905 CA GLY A 65 3.106 8.507 3.840 1.00 0.00 C ATOM 906 C GLY A 65 3.172 8.986 5.276 1.00 0.00 C ATOM 907 O GLY A 65 2.353 8.612 6.116 1.00 0.00 O ATOM 0 H GLY A 65 1.953 6.872 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.085 8.133 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.874 9.350 3.189 1.00 0.00 H new ATOM 911 N PRO A 66 4.168 9.833 5.576 1.00 0.00 N ATOM 912 CA PRO A 66 5.149 10.284 4.584 1.00 0.00 C ATOM 913 C PRO A 66 6.096 9.169 4.156 1.00 0.00 C ATOM 914 O PRO A 66 6.530 8.359 4.977 1.00 0.00 O ATOM 915 CB PRO A 66 5.918 11.384 5.321 1.00 0.00 C ATOM 916 CG PRO A 66 5.771 11.048 6.765 1.00 0.00 C ATOM 917 CD PRO A 66 4.414 10.415 6.906 1.00 0.00 C ATOM 0 HA PRO A 66 4.672 10.621 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.966 11.401 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.508 12.369 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.556 10.365 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.851 11.942 7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.405 9.653 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.653 11.150 7.170 1.00 0.00 H new ATOM 925 N LEU A 67 6.412 9.131 2.866 1.00 0.00 N ATOM 926 CA LEU A 67 7.309 8.113 2.328 1.00 0.00 C ATOM 927 C LEU A 67 8.600 8.742 1.813 1.00 0.00 C ATOM 928 O LEU A 67 8.730 9.965 1.767 1.00 0.00 O ATOM 929 CB LEU A 67 6.619 7.342 1.202 1.00 0.00 C ATOM 930 CG LEU A 67 5.250 6.748 1.535 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.745 5.892 0.384 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.320 5.933 2.818 1.00 0.00 C ATOM 0 H LEU A 67 6.061 9.793 2.173 1.00 0.00 H new ATOM 0 HA LEU A 67 7.560 7.422 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.505 8.010 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.277 6.532 0.887 1.00 0.00 H new ATOM 0 HG LEU A 67 4.547 7.567 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.770 5.478 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.656 6.505 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.447 5.079 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.337 5.518 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.037 5.121 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.636 6.575 3.640 1.00 0.00 H new ATOM 944 N SER A 68 9.550 7.898 1.426 1.00 0.00 N ATOM 945 CA SER A 68 10.831 8.371 0.915 1.00 0.00 C ATOM 946 C SER A 68 10.757 8.625 -0.587 1.00 0.00 C ATOM 947 O SER A 68 9.718 8.415 -1.213 1.00 0.00 O ATOM 948 CB SER A 68 11.932 7.352 1.217 1.00 0.00 C ATOM 949 OG SER A 68 11.420 6.030 1.209 1.00 0.00 O ATOM 0 H SER A 68 9.457 6.883 1.456 1.00 0.00 H new ATOM 0 HA SER A 68 11.068 9.311 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.728 7.442 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.375 7.568 2.189 1.00 0.00 H new ATOM 0 HG SER A 68 10.787 5.929 0.468 1.00 0.00 H new ATOM 955 N SER A 69 11.867 9.081 -1.159 1.00 0.00 N ATOM 956 CA SER A 69 11.928 9.369 -2.587 1.00 0.00 C ATOM 957 C SER A 69 12.750 8.313 -3.320 1.00 0.00 C ATOM 958 O SER A 69 13.639 7.690 -2.740 1.00 0.00 O ATOM 959 CB SER A 69 12.530 10.755 -2.824 1.00 0.00 C ATOM 960 OG SER A 69 13.608 11.001 -1.938 1.00 0.00 O ATOM 0 H SER A 69 12.736 9.259 -0.655 1.00 0.00 H new ATOM 0 HA SER A 69 10.911 9.350 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.877 10.833 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.762 11.517 -2.688 1.00 0.00 H new ATOM 0 HG SER A 69 14.077 11.817 -2.212 1.00 0.00 H new ATOM 966 N SER A 70 12.445 8.117 -4.599 1.00 0.00 N ATOM 967 CA SER A 70 13.153 7.134 -5.411 1.00 0.00 C ATOM 968 C SER A 70 13.391 5.849 -4.624 1.00 0.00 C ATOM 969 O SER A 70 14.402 5.171 -4.809 1.00 0.00 O ATOM 970 CB SER A 70 14.488 7.705 -5.893 1.00 0.00 C ATOM 971 OG SER A 70 14.973 6.989 -7.015 1.00 0.00 O ATOM 0 H SER A 70 11.713 8.625 -5.095 1.00 0.00 H new ATOM 0 HA SER A 70 12.533 6.900 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.365 8.756 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.219 7.661 -5.086 1.00 0.00 H new ATOM 0 HG SER A 70 15.027 6.035 -6.796 1.00 0.00 H new ATOM 977 N THR A 71 12.451 5.519 -3.743 1.00 0.00 N ATOM 978 CA THR A 71 12.558 4.317 -2.926 1.00 0.00 C ATOM 979 C THR A 71 11.354 3.404 -3.131 1.00 0.00 C ATOM 980 O THR A 71 10.207 3.830 -2.989 1.00 0.00 O ATOM 981 CB THR A 71 12.675 4.664 -1.429 1.00 0.00 C ATOM 982 OG1 THR A 71 13.954 5.250 -1.161 1.00 0.00 O ATOM 983 CG2 THR A 71 12.491 3.422 -0.570 1.00 0.00 C ATOM 0 H THR A 71 11.607 6.068 -3.577 1.00 0.00 H new ATOM 0 HA THR A 71 13.463 3.798 -3.244 1.00 0.00 H new ATOM 0 HB THR A 71 11.889 5.378 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.026 6.107 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.578 3.691 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.506 2.994 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.258 2.689 -0.821 1.00 0.00 H new ATOM 991 N THR A 72 11.622 2.146 -3.466 1.00 0.00 N ATOM 992 CA THR A 72 10.561 1.173 -3.691 1.00 0.00 C ATOM 993 C THR A 72 9.876 0.794 -2.384 1.00 0.00 C ATOM 994 O THR A 72 10.522 0.328 -1.445 1.00 0.00 O ATOM 995 CB THR A 72 11.103 -0.104 -4.362 1.00 0.00 C ATOM 996 OG1 THR A 72 11.789 0.233 -5.574 1.00 0.00 O ATOM 997 CG2 THR A 72 9.974 -1.076 -4.666 1.00 0.00 C ATOM 0 H THR A 72 12.565 1.777 -3.587 1.00 0.00 H new ATOM 0 HA THR A 72 9.836 1.644 -4.355 1.00 0.00 H new ATOM 0 HB THR A 72 11.798 -0.583 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.176 0.702 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.381 -1.970 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.473 -1.353 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.258 -0.603 -5.338 1.00 0.00 H new ATOM 1005 N TYR A 73 8.564 0.995 -2.329 1.00 0.00 N ATOM 1006 CA TYR A 73 7.791 0.676 -1.135 1.00 0.00 C ATOM 1007 C TYR A 73 6.927 -0.561 -1.360 1.00 0.00 C ATOM 1008 O TYR A 73 6.221 -0.667 -2.364 1.00 0.00 O ATOM 1009 CB TYR A 73 6.910 1.862 -0.740 1.00 0.00 C ATOM 1010 CG TYR A 73 7.596 2.846 0.181 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.317 3.918 -0.329 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.523 2.703 1.561 1.00 0.00 C ATOM 1013 CE1 TYR A 73 8.946 4.819 0.508 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.147 3.600 2.406 1.00 0.00 C ATOM 1015 CZ TYR A 73 8.858 4.656 1.875 1.00 0.00 C ATOM 1016 OH TYR A 73 9.483 5.551 2.713 1.00 0.00 O ATOM 0 H TYR A 73 8.014 1.378 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 73 8.490 0.466 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.591 2.383 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.009 1.488 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.387 4.049 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.969 1.876 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.504 5.646 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.079 3.475 3.477 1.00 0.00 H new ATOM 0 HH TYR A 73 10.414 5.667 2.431 1.00 0.00 H new ATOM 1026 N THR A 74 6.986 -1.496 -0.417 1.00 0.00 N ATOM 1027 CA THR A 74 6.211 -2.726 -0.510 1.00 0.00 C ATOM 1028 C THR A 74 4.886 -2.599 0.234 1.00 0.00 C ATOM 1029 O THR A 74 4.841 -2.688 1.461 1.00 0.00 O ATOM 1030 CB THR A 74 6.992 -3.927 0.057 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.332 -3.921 -0.446 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.312 -5.237 -0.312 1.00 0.00 C ATOM 0 H THR A 74 7.563 -1.424 0.421 1.00 0.00 H new ATOM 0 HA THR A 74 6.015 -2.896 -1.569 1.00 0.00 H new ATOM 0 HB THR A 74 7.012 -3.840 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.822 -4.686 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.881 -6.071 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.302 -5.250 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.265 -5.330 -1.397 1.00 0.00 H new ATOM 1040 N VAL A 75 3.809 -2.392 -0.517 1.00 0.00 N ATOM 1041 CA VAL A 75 2.482 -2.255 0.072 1.00 0.00 C ATOM 1042 C VAL A 75 1.748 -3.591 0.091 1.00 0.00 C ATOM 1043 O VAL A 75 1.833 -4.371 -0.858 1.00 0.00 O ATOM 1044 CB VAL A 75 1.631 -1.226 -0.696 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.353 -0.914 0.067 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.432 0.042 -0.951 1.00 0.00 C ATOM 0 H VAL A 75 3.829 -2.316 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 75 2.625 -1.907 1.095 1.00 0.00 H new ATOM 0 HB VAL A 75 1.355 -1.655 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.235 -0.185 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.227 -1.828 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.604 -0.505 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.816 0.758 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.739 0.476 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.316 -0.199 -1.542 1.00 0.00 H new ATOM 1056 N ARG A 76 1.027 -3.849 1.177 1.00 0.00 N ATOM 1057 CA ARG A 76 0.278 -5.091 1.320 1.00 0.00 C ATOM 1058 C ARG A 76 -1.147 -4.816 1.791 1.00 0.00 C ATOM 1059 O ARG A 76 -1.388 -4.599 2.979 1.00 0.00 O ATOM 1060 CB ARG A 76 0.982 -6.025 2.307 1.00 0.00 C ATOM 1061 CG ARG A 76 0.754 -7.500 2.018 1.00 0.00 C ATOM 1062 CD ARG A 76 1.859 -8.361 2.612 1.00 0.00 C ATOM 1063 NE ARG A 76 1.613 -8.673 4.017 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.443 -9.392 4.765 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.566 -9.868 4.246 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.150 -9.634 6.037 1.00 0.00 N ATOM 0 H ARG A 76 0.946 -3.214 1.971 1.00 0.00 H new ATOM 0 HA ARG A 76 0.232 -5.573 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.053 -5.821 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.634 -5.803 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.208 -7.808 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.707 -7.658 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.942 -9.288 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.813 -7.843 2.517 1.00 0.00 H new ATOM 0 HE ARG A 76 0.758 -8.320 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.795 -9.683 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.201 -10.420 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.288 -9.268 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.787 -10.186 6.611 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.087 -4.827 0.852 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.489 -4.580 1.171 1.00 0.00 C ATOM 1082 C VAL A 77 -4.192 -5.866 1.590 1.00 0.00 C ATOM 1083 O VAL A 77 -4.544 -6.696 0.751 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.236 -3.964 -0.026 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.700 -3.735 0.318 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.572 -2.666 -0.459 1.00 0.00 C ATOM 0 H VAL A 77 -1.904 -5.004 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.506 -3.874 2.002 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.189 -4.664 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.212 -3.299 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.167 -4.686 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.772 -3.055 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.114 -2.245 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.585 -1.957 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.541 -2.864 -0.750 1.00 0.00 H new ATOM 1096 N THR A 78 -4.396 -6.025 2.894 1.00 0.00 N ATOM 1097 CA THR A 78 -5.058 -7.210 3.425 1.00 0.00 C ATOM 1098 C THR A 78 -6.502 -6.909 3.806 1.00 0.00 C ATOM 1099 O THR A 78 -6.762 -6.118 4.714 1.00 0.00 O ATOM 1100 CB THR A 78 -4.317 -7.762 4.658 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.909 -7.815 4.401 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.825 -9.150 5.017 1.00 0.00 C ATOM 0 H THR A 78 -4.112 -5.348 3.602 1.00 0.00 H new ATOM 0 HA THR A 78 -5.043 -7.961 2.635 1.00 0.00 H new ATOM 0 HB THR A 78 -4.507 -7.094 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.445 -8.165 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.288 -9.520 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.891 -9.101 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.661 -9.826 4.178 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.438 -7.544 3.109 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.858 -7.343 3.375 1.00 0.00 C ATOM 1112 C CYS A 79 -9.393 -8.422 4.311 1.00 0.00 C ATOM 1113 O CYS A 79 -9.489 -9.592 3.937 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.649 -7.348 2.067 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.595 -5.781 1.166 1.00 0.00 S ATOM 0 H CYS A 79 -7.239 -8.202 2.356 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.978 -6.374 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.262 -8.138 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.688 -7.594 2.284 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.291 -5.885 0.073 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.740 -8.022 5.530 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.265 -8.955 6.521 1.00 0.00 C ATOM 1123 C LEU A 80 -11.781 -9.073 6.409 1.00 0.00 C ATOM 1124 O LEU A 80 -12.510 -8.117 6.676 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.879 -8.503 7.930 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.497 -8.937 8.420 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.334 -10.443 8.292 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.406 -8.212 7.647 1.00 0.00 C ATOM 0 H LEU A 80 -9.667 -7.058 5.856 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.829 -9.935 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.930 -7.415 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.625 -8.882 8.628 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.406 -8.671 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.345 -10.733 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.095 -10.944 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.446 -10.734 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.429 -8.533 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.495 -8.446 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.511 -7.137 7.791 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.250 -10.252 6.014 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.680 -10.495 5.867 1.00 0.00 C ATOM 1142 C TYR A 81 -14.313 -10.854 7.208 1.00 0.00 C ATOM 1143 O TYR A 81 -13.682 -11.450 8.081 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.927 -11.616 4.857 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.241 -11.396 3.528 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.562 -10.306 2.730 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.270 -12.279 3.071 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.938 -10.101 1.514 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.639 -12.082 1.857 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.977 -10.992 1.083 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.352 -10.791 -0.127 1.00 0.00 O ATOM 0 H TYR A 81 -11.661 -11.054 5.790 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.143 -9.578 5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.583 -12.559 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -15.000 -11.714 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.313 -9.606 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.004 -13.134 3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.201 -9.249 0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.886 -12.777 1.517 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.679 -11.489 -0.267 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.591 -10.484 7.376 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.339 -10.758 8.607 1.00 0.00 C ATOM 1163 C PRO A 82 -16.643 -12.241 8.783 1.00 0.00 C ATOM 1164 O PRO A 82 -17.067 -12.675 9.853 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.635 -9.965 8.417 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.797 -9.850 6.941 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.405 -9.771 6.377 1.00 0.00 C ATOM 0 HA PRO A 82 -15.777 -10.476 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.483 -10.479 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.570 -8.983 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.333 -10.710 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.375 -8.964 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.341 -10.243 5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.079 -8.738 6.256 1.00 0.00 H new ATOM 1207 N SER A 87 -7.869 -11.829 2.222 1.00 0.00 N ATOM 1208 CA SER A 87 -7.104 -11.725 0.985 1.00 0.00 C ATOM 1209 C SER A 87 -5.983 -10.700 1.124 1.00 0.00 C ATOM 1210 O SER A 87 -6.151 -9.659 1.761 1.00 0.00 O ATOM 1211 CB SER A 87 -8.022 -11.339 -0.176 1.00 0.00 C ATOM 1212 OG SER A 87 -8.687 -12.475 -0.700 1.00 0.00 O ATOM 0 HA SER A 87 -6.659 -12.699 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.756 -10.609 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.438 -10.861 -0.962 1.00 0.00 H new ATOM 0 HG SER A 87 -8.883 -13.103 0.026 1.00 0.00 H new ATOM 1218 N THR A 88 -4.836 -11.001 0.523 1.00 0.00 N ATOM 1219 CA THR A 88 -3.685 -10.109 0.580 1.00 0.00 C ATOM 1220 C THR A 88 -3.264 -9.666 -0.817 1.00 0.00 C ATOM 1221 O THR A 88 -3.022 -10.494 -1.695 1.00 0.00 O ATOM 1222 CB THR A 88 -2.487 -10.780 1.277 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.933 -11.501 2.431 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.451 -9.745 1.688 1.00 0.00 C ATOM 0 H THR A 88 -4.680 -11.857 -0.009 1.00 0.00 H new ATOM 0 HA THR A 88 -3.989 -9.237 1.159 1.00 0.00 H new ATOM 0 HB THR A 88 -2.026 -11.472 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.166 -11.926 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.614 -10.243 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.092 -9.218 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.903 -9.031 2.377 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.176 -8.355 -1.015 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.782 -7.802 -2.306 1.00 0.00 C ATOM 1234 C LEU A 89 -1.425 -7.113 -2.212 1.00 0.00 C ATOM 1235 O LEU A 89 -1.302 -6.036 -1.627 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.837 -6.810 -2.801 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.970 -7.399 -3.643 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.226 -6.553 -3.514 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.548 -7.513 -5.100 1.00 0.00 C ATOM 0 H LEU A 89 -3.372 -7.656 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.703 -8.624 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.275 -6.314 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.336 -6.041 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.191 -8.399 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.021 -6.987 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.540 -6.524 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.019 -5.540 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.366 -7.934 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.299 -6.524 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.676 -8.163 -5.177 1.00 0.00 H new ATOM 1251 N THR A 90 -0.407 -7.740 -2.793 1.00 0.00 N ATOM 1252 CA THR A 90 0.941 -7.187 -2.776 1.00 0.00 C ATOM 1253 C THR A 90 1.147 -6.203 -3.922 1.00 0.00 C ATOM 1254 O THR A 90 0.787 -6.482 -5.065 1.00 0.00 O ATOM 1255 CB THR A 90 2.005 -8.298 -2.871 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.144 -8.727 -4.230 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.629 -9.483 -1.995 1.00 0.00 C ATOM 0 H THR A 90 -0.491 -8.632 -3.281 1.00 0.00 H new ATOM 0 HA THR A 90 1.056 -6.664 -1.827 1.00 0.00 H new ATOM 0 HB THR A 90 2.954 -7.894 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.823 -9.432 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.395 -10.254 -2.078 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.552 -9.158 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.670 -9.887 -2.321 1.00 0.00 H new ATOM 1265 N GLY A 91 1.730 -5.050 -3.608 1.00 0.00 N ATOM 1266 CA GLY A 91 1.974 -4.042 -4.623 1.00 0.00 C ATOM 1267 C GLY A 91 3.178 -3.178 -4.305 1.00 0.00 C ATOM 1268 O GLY A 91 3.236 -2.547 -3.249 1.00 0.00 O ATOM 0 H GLY A 91 2.038 -4.796 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.125 -4.530 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.092 -3.409 -4.721 1.00 0.00 H new ATOM 1272 N ARG A 92 4.143 -3.150 -5.218 1.00 0.00 N ATOM 1273 CA ARG A 92 5.353 -2.360 -5.028 1.00 0.00 C ATOM 1274 C ARG A 92 5.266 -1.040 -5.790 1.00 0.00 C ATOM 1275 O ARG A 92 5.065 -1.024 -7.004 1.00 0.00 O ATOM 1276 CB ARG A 92 6.580 -3.147 -5.490 1.00 0.00 C ATOM 1277 CG ARG A 92 7.192 -4.015 -4.402 1.00 0.00 C ATOM 1278 CD ARG A 92 8.401 -4.782 -4.915 1.00 0.00 C ATOM 1279 NE ARG A 92 9.120 -5.455 -3.837 1.00 0.00 N ATOM 1280 CZ ARG A 92 10.185 -6.224 -4.033 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.652 -6.417 -5.259 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.786 -6.803 -3.001 1.00 0.00 N ATOM 0 H ARG A 92 4.110 -3.666 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 92 5.450 -2.141 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.300 -3.779 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.334 -2.448 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.487 -3.390 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.445 -4.717 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.078 -5.519 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.075 -4.095 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 92 8.786 -5.328 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.193 -5.974 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.470 -7.008 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.430 -6.658 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.604 -7.393 -3.153 1.00 0.00 H new ATOM 1296 N VAL A 93 5.417 0.065 -5.067 1.00 0.00 N ATOM 1297 CA VAL A 93 5.356 1.390 -5.674 1.00 0.00 C ATOM 1298 C VAL A 93 6.627 2.183 -5.391 1.00 0.00 C ATOM 1299 O VAL A 93 7.025 2.349 -4.238 1.00 0.00 O ATOM 1300 CB VAL A 93 4.142 2.186 -5.162 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.123 2.212 -3.641 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.155 3.599 -5.727 1.00 0.00 C ATOM 0 H VAL A 93 5.582 0.069 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 93 5.256 1.242 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 93 3.234 1.690 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.258 2.779 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.063 1.192 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.035 2.683 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.290 4.148 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.068 4.107 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.117 3.556 -6.815 1.00 0.00 H new ATOM 1312 N THR A 94 7.261 2.672 -6.452 1.00 0.00 N ATOM 1313 CA THR A 94 8.488 3.448 -6.319 1.00 0.00 C ATOM 1314 C THR A 94 8.185 4.935 -6.172 1.00 0.00 C ATOM 1315 O THR A 94 7.727 5.583 -7.114 1.00 0.00 O ATOM 1316 CB THR A 94 9.417 3.243 -7.530 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.722 1.852 -7.683 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.706 4.034 -7.363 1.00 0.00 C ATOM 0 H THR A 94 6.945 2.544 -7.413 1.00 0.00 H new ATOM 0 HA THR A 94 8.991 3.091 -5.420 1.00 0.00 H new ATOM 0 HB THR A 94 8.901 3.602 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.312 1.730 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.346 3.874 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.473 5.095 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.224 3.701 -6.463 1.00 0.00 H new ATOM 1326 N THR A 95 8.442 5.472 -4.983 1.00 0.00 N ATOM 1327 CA THR A 95 8.197 6.883 -4.713 1.00 0.00 C ATOM 1328 C THR A 95 9.004 7.772 -5.652 1.00 0.00 C ATOM 1329 O THR A 95 10.151 7.467 -5.979 1.00 0.00 O ATOM 1330 CB THR A 95 8.545 7.245 -3.256 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.767 6.605 -2.871 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.428 6.825 -2.313 1.00 0.00 C ATOM 0 H THR A 95 8.820 4.951 -4.192 1.00 0.00 H new ATOM 0 HA THR A 95 7.134 7.056 -4.879 1.00 0.00 H new ATOM 0 HB THR A 95 8.666 8.326 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.943 6.780 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.696 7.091 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.506 7.336 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.280 5.747 -2.381 1.00 0.00 H new ATOM 1340 N LYS A 96 8.399 8.874 -6.082 1.00 0.00 N ATOM 1341 CA LYS A 96 9.062 9.809 -6.983 1.00 0.00 C ATOM 1342 C LYS A 96 10.295 10.419 -6.323 1.00 0.00 C ATOM 1343 O LYS A 96 10.499 10.280 -5.117 1.00 0.00 O ATOM 1344 CB LYS A 96 8.094 10.918 -7.403 1.00 0.00 C ATOM 1345 CG LYS A 96 6.719 10.407 -7.797 1.00 0.00 C ATOM 1346 CD LYS A 96 6.007 11.381 -8.721 1.00 0.00 C ATOM 1347 CE LYS A 96 5.038 10.663 -9.648 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.052 11.600 -10.254 1.00 0.00 N ATOM 0 H LYS A 96 7.450 9.142 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 96 9.380 9.258 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.988 11.626 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.523 11.465 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.817 9.440 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.118 10.248 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.466 12.118 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.742 11.926 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.596 10.162 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.509 9.889 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.410 11.072 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.502 12.060 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.555 12.324 -10.806 1.00 0.00 H new ATOM 1362 N LYS A 97 11.113 11.096 -7.121 1.00 0.00 N ATOM 1363 CA LYS A 97 12.325 11.730 -6.614 1.00 0.00 C ATOM 1364 C LYS A 97 11.996 13.031 -5.890 1.00 0.00 C ATOM 1365 O LYS A 97 11.057 13.737 -6.257 1.00 0.00 O ATOM 1366 CB LYS A 97 13.299 12.006 -7.762 1.00 0.00 C ATOM 1367 CG LYS A 97 14.200 10.828 -8.091 1.00 0.00 C ATOM 1368 CD LYS A 97 14.766 10.934 -9.497 1.00 0.00 C ATOM 1369 CE LYS A 97 13.783 10.415 -10.534 1.00 0.00 C ATOM 1370 NZ LYS A 97 13.953 11.093 -11.849 1.00 0.00 N ATOM 0 H LYS A 97 10.959 11.220 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 97 12.793 11.047 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.731 12.278 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.918 12.865 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.017 10.782 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.637 9.900 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.011 11.974 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.695 10.368 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.921 9.341 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.765 10.566 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.264 10.711 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.797 12.115 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.917 10.927 -12.203 1.00 0.00 H new ATOM 1384 N ALA A 98 12.776 13.343 -4.860 1.00 0.00 N ATOM 1385 CA ALA A 98 12.569 14.562 -4.086 1.00 0.00 C ATOM 1386 C ALA A 98 13.410 15.709 -4.635 1.00 0.00 C ATOM 1387 O ALA A 98 14.539 15.523 -5.087 1.00 0.00 O ATOM 1388 CB ALA A 98 12.897 14.318 -2.621 1.00 0.00 C ATOM 0 H ALA A 98 13.557 12.769 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 98 11.519 14.843 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.738 15.236 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.250 13.533 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.938 14.010 -2.528 1.00 0.00 H new