USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 56 SER OG : rot -20:sc= 0.397 USER MOD Set 1.2: A 60 ASN : amide:sc= -1.71! K(o=-1.3!,f=-0.083) USER MOD Set 2.1: A 52 HIS : no HE2:sc= 0.821 K(o=1.3,f=-5.2!) USER MOD Set 2.2: A 85 TYR OH : rot 89:sc= 0.49 USER MOD Single : A 10 SER OG : rot 170:sc= 0 USER MOD Single : A 11 TYR OH : rot 162:sc= -0.974! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -1.51! USER MOD Single : A 26 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 28 TYR OH : rot -133:sc= 1.2 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.39) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -4.08! K(o=-4.1!,f=-0.13) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 54 SER OG : rot -61:sc= -0.289 USER MOD Single : A 55 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.022) USER MOD Single : A 59 ASN : amide:sc= -0.061 X(o=-0.061,f=-0.25) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -3.9 K(o=-3.9,f=-9.2!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 130:sc= -0.788! USER MOD Single : A 78 ASN : amide:sc= -0.0636 K(o=-0.064,f=-2.8!) USER MOD Single : A 79 ASN : amide:sc= -0.613 X(o=-0.61,f=-1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 5.085 -6.046 1.995 1.00 0.00 N ATOM 72 CA LEU A 6 5.607 -6.912 0.946 1.00 0.00 C ATOM 73 C LEU A 6 7.130 -6.978 1.024 1.00 0.00 C ATOM 74 O LEU A 6 7.773 -6.089 1.592 1.00 0.00 O ATOM 75 CB LEU A 6 5.195 -6.384 -0.440 1.00 0.00 C ATOM 76 CG LEU A 6 3.742 -6.625 -0.866 1.00 0.00 C ATOM 77 CD1 LEU A 6 3.404 -8.105 -0.821 1.00 0.00 C ATOM 78 CD2 LEU A 6 2.780 -5.825 -0.003 1.00 0.00 C ATOM 0 HA LEU A 6 5.192 -7.910 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.383 -5.311 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.848 -6.839 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 6 3.634 -6.283 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.368 -8.251 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.063 -8.649 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.538 -8.478 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.757 -6.015 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.892 -6.124 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.001 -4.762 -0.102 1.00 0.00 H new ATOM 90 N PRO A 7 7.730 -8.032 0.467 1.00 0.00 N ATOM 91 CA PRO A 7 9.181 -8.177 0.437 1.00 0.00 C ATOM 92 C PRO A 7 9.817 -7.133 -0.459 1.00 0.00 C ATOM 93 O PRO A 7 9.183 -6.630 -1.384 1.00 0.00 O ATOM 94 CB PRO A 7 9.410 -9.573 -0.155 1.00 0.00 C ATOM 95 CG PRO A 7 8.081 -10.244 -0.157 1.00 0.00 C ATOM 96 CD PRO A 7 7.048 -9.159 -0.181 1.00 0.00 C ATOM 0 HA PRO A 7 9.621 -8.051 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.814 -9.506 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.130 -10.135 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.978 -10.895 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.963 -10.871 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.744 -8.915 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.147 -9.449 0.359 1.00 0.00 H new ATOM 104 N ILE A 8 11.080 -6.826 -0.196 1.00 0.00 N ATOM 105 CA ILE A 8 11.808 -5.834 -0.981 1.00 0.00 C ATOM 106 C ILE A 8 11.905 -6.229 -2.451 1.00 0.00 C ATOM 107 O ILE A 8 12.174 -5.392 -3.307 1.00 0.00 O ATOM 108 CB ILE A 8 13.225 -5.557 -0.427 1.00 0.00 C ATOM 109 CG1 ILE A 8 13.780 -6.752 0.362 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.201 -4.313 0.440 1.00 0.00 C ATOM 111 CD1 ILE A 8 13.921 -8.025 -0.448 1.00 0.00 C ATOM 0 H ILE A 8 11.624 -7.250 0.556 1.00 0.00 H new ATOM 0 HA ILE A 8 11.226 -4.916 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 8 13.891 -5.397 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 8 14.756 -6.483 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.125 -6.947 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.201 -4.121 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.873 -3.461 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.511 -4.462 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.319 -8.817 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.945 -8.323 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.601 -7.852 -1.282 1.00 0.00 H new ATOM 123 N ALA A 9 11.678 -7.503 -2.742 1.00 0.00 N ATOM 124 CA ALA A 9 11.667 -7.972 -4.113 1.00 0.00 C ATOM 125 C ALA A 9 10.375 -7.557 -4.810 1.00 0.00 C ATOM 126 O ALA A 9 10.344 -7.369 -6.026 1.00 0.00 O ATOM 127 CB ALA A 9 11.830 -9.477 -4.163 1.00 0.00 C ATOM 0 H ALA A 9 11.500 -8.226 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 9 12.507 -7.515 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.819 -9.810 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.778 -9.756 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.011 -9.950 -3.622 1.00 0.00 H new ATOM 133 N SER A 10 9.310 -7.410 -4.031 1.00 0.00 N ATOM 134 CA SER A 10 8.019 -7.014 -4.574 1.00 0.00 C ATOM 135 C SER A 10 8.074 -5.587 -5.116 1.00 0.00 C ATOM 136 O SER A 10 7.308 -5.227 -6.008 1.00 0.00 O ATOM 137 CB SER A 10 6.930 -7.139 -3.503 1.00 0.00 C ATOM 138 OG SER A 10 5.635 -6.996 -4.058 1.00 0.00 O ATOM 0 H SER A 10 9.316 -7.559 -3.022 1.00 0.00 H new ATOM 0 HA SER A 10 7.774 -7.682 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.011 -8.109 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.084 -6.380 -2.736 1.00 0.00 H new ATOM 0 HG SER A 10 4.963 -7.239 -3.387 1.00 0.00 H new ATOM 144 N TYR A 11 8.993 -4.781 -4.590 1.00 0.00 N ATOM 145 CA TYR A 11 9.141 -3.407 -5.051 1.00 0.00 C ATOM 146 C TYR A 11 10.436 -3.241 -5.840 1.00 0.00 C ATOM 147 O TYR A 11 10.881 -2.116 -6.066 1.00 0.00 O ATOM 148 CB TYR A 11 9.186 -2.423 -3.893 1.00 0.00 C ATOM 149 CG TYR A 11 8.381 -2.813 -2.684 1.00 0.00 C ATOM 150 CD1 TYR A 11 7.035 -2.505 -2.586 1.00 0.00 C ATOM 151 CD2 TYR A 11 8.987 -3.461 -1.623 1.00 0.00 C ATOM 152 CE1 TYR A 11 6.314 -2.830 -1.461 1.00 0.00 C ATOM 153 CE2 TYR A 11 8.271 -3.800 -0.495 1.00 0.00 C ATOM 154 CZ TYR A 11 6.934 -3.475 -0.421 1.00 0.00 C ATOM 155 OH TYR A 11 6.214 -3.787 0.699 1.00 0.00 O ATOM 0 H TYR A 11 9.640 -5.054 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 11 8.274 -3.198 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.225 -2.292 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.832 -1.455 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.544 -2.002 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.038 -3.705 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.266 -2.579 -1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.753 -4.315 0.323 1.00 0.00 H new ATOM 0 HH TYR A 11 6.691 -4.471 1.214 1.00 0.00 H new ATOM 165 N ALA A 12 11.056 -4.356 -6.222 1.00 0.00 N ATOM 166 CA ALA A 12 12.347 -4.315 -6.904 1.00 0.00 C ATOM 167 C ALA A 12 12.296 -3.449 -8.165 1.00 0.00 C ATOM 168 O ALA A 12 11.655 -3.810 -9.156 1.00 0.00 O ATOM 169 CB ALA A 12 12.809 -5.722 -7.243 1.00 0.00 C ATOM 0 H ALA A 12 10.687 -5.295 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 12 13.066 -3.859 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.772 -5.676 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.909 -6.303 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.077 -6.198 -7.896 1.00 0.00 H new ATOM 175 N GLY A 13 12.986 -2.314 -8.115 1.00 0.00 N ATOM 176 CA GLY A 13 12.999 -1.375 -9.220 1.00 0.00 C ATOM 177 C GLY A 13 11.652 -0.731 -9.434 1.00 0.00 C ATOM 178 O GLY A 13 11.227 -0.514 -10.572 1.00 0.00 O ATOM 0 H GLY A 13 13.546 -2.025 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.744 -0.602 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.302 -1.892 -10.131 1.00 0.00 H new ATOM 182 N LEU A 14 10.982 -0.421 -8.336 1.00 0.00 N ATOM 183 CA LEU A 14 9.647 0.152 -8.383 1.00 0.00 C ATOM 184 C LEU A 14 9.539 1.328 -7.429 1.00 0.00 C ATOM 185 O LEU A 14 10.300 1.431 -6.471 1.00 0.00 O ATOM 186 CB LEU A 14 8.618 -0.914 -8.023 1.00 0.00 C ATOM 187 CG LEU A 14 8.611 -2.123 -8.956 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.753 -3.231 -8.386 1.00 0.00 C ATOM 189 CD2 LEU A 14 8.120 -1.727 -10.341 1.00 0.00 C ATOM 0 H LEU A 14 11.345 -0.558 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 14 9.453 0.511 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.808 -1.256 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.627 -0.461 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 14 9.633 -2.492 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.761 -4.083 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.148 -3.536 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.731 -2.873 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.122 -2.602 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.107 -1.331 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.779 -0.964 -10.756 1.00 0.00 H new ATOM 201 N THR A 15 8.594 2.210 -7.697 1.00 0.00 N ATOM 202 CA THR A 15 8.420 3.401 -6.889 1.00 0.00 C ATOM 203 C THR A 15 7.232 3.239 -5.940 1.00 0.00 C ATOM 204 O THR A 15 6.082 3.128 -6.371 1.00 0.00 O ATOM 205 CB THR A 15 8.211 4.632 -7.787 1.00 0.00 C ATOM 206 OG1 THR A 15 9.101 4.575 -8.911 1.00 0.00 O ATOM 207 CG2 THR A 15 8.466 5.919 -7.024 1.00 0.00 C ATOM 0 H THR A 15 7.934 2.123 -8.470 1.00 0.00 H new ATOM 0 HA THR A 15 9.323 3.546 -6.296 1.00 0.00 H new ATOM 0 HB THR A 15 7.175 4.623 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.961 5.361 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.310 6.771 -7.686 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.779 5.984 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.492 5.927 -6.657 1.00 0.00 H new ATOM 215 N VAL A 16 7.523 3.220 -4.650 1.00 0.00 N ATOM 216 CA VAL A 16 6.505 3.018 -3.624 1.00 0.00 C ATOM 217 C VAL A 16 6.190 4.328 -2.918 1.00 0.00 C ATOM 218 O VAL A 16 6.989 5.264 -2.944 1.00 0.00 O ATOM 219 CB VAL A 16 6.950 1.961 -2.598 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.271 0.660 -3.307 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.139 2.444 -1.792 1.00 0.00 C ATOM 0 H VAL A 16 8.466 3.343 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 16 5.604 2.656 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 16 6.131 1.790 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.586 -0.085 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.384 0.303 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.074 0.825 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.430 1.675 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.974 2.650 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.870 3.355 -1.257 1.00 0.00 H new ATOM 231 N SER A 17 5.021 4.401 -2.305 1.00 0.00 N ATOM 232 CA SER A 17 4.593 5.622 -1.640 1.00 0.00 C ATOM 233 C SER A 17 5.382 5.826 -0.353 1.00 0.00 C ATOM 234 O SER A 17 5.927 4.868 0.189 1.00 0.00 O ATOM 235 CB SER A 17 3.087 5.586 -1.350 1.00 0.00 C ATOM 236 OG SER A 17 2.607 6.854 -0.938 1.00 0.00 O ATOM 0 H SER A 17 4.352 3.632 -2.253 1.00 0.00 H new ATOM 0 HA SER A 17 4.789 6.463 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.551 5.266 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.882 4.849 -0.574 1.00 0.00 H new ATOM 0 HG SER A 17 1.644 6.798 -0.763 1.00 0.00 H new ATOM 242 N ALA A 18 5.449 7.060 0.130 1.00 0.00 N ATOM 243 CA ALA A 18 6.197 7.367 1.349 1.00 0.00 C ATOM 244 C ALA A 18 5.806 6.445 2.520 1.00 0.00 C ATOM 245 O ALA A 18 6.689 5.898 3.181 1.00 0.00 O ATOM 246 CB ALA A 18 6.024 8.830 1.730 1.00 0.00 C ATOM 0 H ALA A 18 4.996 7.866 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 18 7.250 7.183 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.588 9.038 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.392 9.462 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.968 9.039 1.902 1.00 0.00 H new ATOM 252 N PRO A 19 4.488 6.241 2.788 1.00 0.00 N ATOM 253 CA PRO A 19 4.024 5.345 3.860 1.00 0.00 C ATOM 254 C PRO A 19 4.675 3.963 3.811 1.00 0.00 C ATOM 255 O PRO A 19 5.089 3.425 4.837 1.00 0.00 O ATOM 256 CB PRO A 19 2.526 5.218 3.598 1.00 0.00 C ATOM 257 CG PRO A 19 2.152 6.468 2.887 1.00 0.00 C ATOM 258 CD PRO A 19 3.354 6.884 2.094 1.00 0.00 C ATOM 0 HA PRO A 19 4.277 5.744 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.304 4.339 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.970 5.113 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.295 6.301 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.866 7.246 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.282 6.552 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.462 7.968 2.075 1.00 0.00 H new ATOM 266 N VAL A 20 4.771 3.402 2.609 1.00 0.00 N ATOM 267 CA VAL A 20 5.334 2.071 2.423 1.00 0.00 C ATOM 268 C VAL A 20 6.856 2.145 2.363 1.00 0.00 C ATOM 269 O VAL A 20 7.548 1.280 2.890 1.00 0.00 O ATOM 270 CB VAL A 20 4.742 1.375 1.157 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.214 2.392 0.163 1.00 0.00 C ATOM 272 CG2 VAL A 20 5.760 0.463 0.472 1.00 0.00 C ATOM 0 H VAL A 20 4.464 3.852 1.747 1.00 0.00 H new ATOM 0 HA VAL A 20 5.058 1.458 3.281 1.00 0.00 H new ATOM 0 HB VAL A 20 3.914 0.757 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.809 1.874 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.428 2.984 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.025 3.049 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.303 0.001 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.625 1.050 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.079 -0.313 1.167 1.00 0.00 H new ATOM 282 N PHE A 21 7.359 3.210 1.752 1.00 0.00 N ATOM 283 CA PHE A 21 8.791 3.456 1.646 1.00 0.00 C ATOM 284 C PHE A 21 9.429 3.561 3.026 1.00 0.00 C ATOM 285 O PHE A 21 10.367 2.834 3.347 1.00 0.00 O ATOM 286 CB PHE A 21 9.027 4.753 0.872 1.00 0.00 C ATOM 287 CG PHE A 21 10.457 4.967 0.489 1.00 0.00 C ATOM 288 CD1 PHE A 21 10.932 4.495 -0.717 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.325 5.629 1.337 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.251 4.675 -1.075 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.647 5.818 0.985 1.00 0.00 C ATOM 292 CZ PHE A 21 13.112 5.339 -0.225 1.00 0.00 C ATOM 0 H PHE A 21 6.783 3.930 1.315 1.00 0.00 H new ATOM 0 HA PHE A 21 9.249 2.619 1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.415 4.745 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.691 5.595 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.263 3.978 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.966 6.002 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.611 4.296 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.316 6.339 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.145 5.484 -0.504 1.00 0.00 H new ATOM 302 N ALA A 22 8.901 4.463 3.842 1.00 0.00 N ATOM 303 CA ALA A 22 9.441 4.711 5.171 1.00 0.00 C ATOM 304 C ALA A 22 9.276 3.488 6.065 1.00 0.00 C ATOM 305 O ALA A 22 10.112 3.216 6.925 1.00 0.00 O ATOM 306 CB ALA A 22 8.768 5.919 5.795 1.00 0.00 C ATOM 0 H ALA A 22 8.093 5.039 3.604 1.00 0.00 H new ATOM 0 HA ALA A 22 10.507 4.915 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.181 6.093 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.942 6.795 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.696 5.738 5.875 1.00 0.00 H new ATOM 312 N ALA A 23 8.202 2.743 5.845 1.00 0.00 N ATOM 313 CA ALA A 23 7.953 1.535 6.602 1.00 0.00 C ATOM 314 C ALA A 23 8.919 0.451 6.172 1.00 0.00 C ATOM 315 O ALA A 23 9.420 -0.315 6.987 1.00 0.00 O ATOM 316 CB ALA A 23 6.524 1.092 6.401 1.00 0.00 C ATOM 0 H ALA A 23 7.491 2.958 5.146 1.00 0.00 H new ATOM 0 HA ALA A 23 8.107 1.732 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.341 0.182 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.848 1.877 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.349 0.897 5.343 1.00 0.00 H new ATOM 322 N LEU A 24 9.170 0.403 4.877 1.00 0.00 N ATOM 323 CA LEU A 24 10.179 -0.464 4.304 1.00 0.00 C ATOM 324 C LEU A 24 11.539 -0.154 4.899 1.00 0.00 C ATOM 325 O LEU A 24 12.254 -1.047 5.310 1.00 0.00 O ATOM 326 CB LEU A 24 10.216 -0.250 2.804 1.00 0.00 C ATOM 327 CG LEU A 24 9.665 -1.371 1.931 1.00 0.00 C ATOM 328 CD1 LEU A 24 8.453 -2.035 2.562 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.307 -0.793 0.578 1.00 0.00 C ATOM 0 H LEU A 24 8.675 0.970 4.189 1.00 0.00 H new ATOM 0 HA LEU A 24 9.932 -1.502 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.660 0.660 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.251 -0.072 2.513 1.00 0.00 H new ATOM 0 HG LEU A 24 10.428 -2.142 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.091 -2.828 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.731 -2.459 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.666 -1.295 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.910 -1.582 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.555 -0.014 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.198 -0.366 0.117 1.00 0.00 H new ATOM 341 N VAL A 25 11.886 1.121 4.944 1.00 0.00 N ATOM 342 CA VAL A 25 13.135 1.552 5.570 1.00 0.00 C ATOM 343 C VAL A 25 13.155 1.170 7.050 1.00 0.00 C ATOM 344 O VAL A 25 14.214 0.949 7.642 1.00 0.00 O ATOM 345 CB VAL A 25 13.344 3.075 5.429 1.00 0.00 C ATOM 346 CG1 VAL A 25 14.624 3.508 6.122 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.376 3.472 3.965 1.00 0.00 C ATOM 0 H VAL A 25 11.324 1.879 4.556 1.00 0.00 H new ATOM 0 HA VAL A 25 13.948 1.043 5.053 1.00 0.00 H new ATOM 0 HB VAL A 25 12.506 3.581 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.752 4.585 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.567 3.257 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.473 2.993 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.524 4.549 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.195 2.954 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.432 3.199 3.493 1.00 0.00 H new ATOM 357 N THR A 26 11.977 1.067 7.631 1.00 0.00 N ATOM 358 CA THR A 26 11.845 0.668 9.021 1.00 0.00 C ATOM 359 C THR A 26 12.260 -0.797 9.217 1.00 0.00 C ATOM 360 O THR A 26 12.924 -1.140 10.198 1.00 0.00 O ATOM 361 CB THR A 26 10.398 0.883 9.526 1.00 0.00 C ATOM 362 OG1 THR A 26 10.084 2.283 9.529 1.00 0.00 O ATOM 363 CG2 THR A 26 10.208 0.313 10.926 1.00 0.00 C ATOM 0 H THR A 26 11.092 1.255 7.161 1.00 0.00 H new ATOM 0 HA THR A 26 12.514 1.298 9.607 1.00 0.00 H new ATOM 0 HB THR A 26 9.725 0.357 8.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.093 2.622 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.181 0.481 11.251 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.415 -0.757 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.892 0.807 11.616 1.00 0.00 H new ATOM 371 N VAL A 27 11.900 -1.651 8.265 1.00 0.00 N ATOM 372 CA VAL A 27 12.163 -3.079 8.387 1.00 0.00 C ATOM 373 C VAL A 27 13.348 -3.512 7.514 1.00 0.00 C ATOM 374 O VAL A 27 14.296 -4.135 7.995 1.00 0.00 O ATOM 375 CB VAL A 27 10.891 -3.909 8.044 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.007 -3.180 7.047 1.00 0.00 C ATOM 377 CG2 VAL A 27 11.254 -5.271 7.487 1.00 0.00 C ATOM 0 H VAL A 27 11.427 -1.380 7.403 1.00 0.00 H new ATOM 0 HA VAL A 27 12.431 -3.275 9.425 1.00 0.00 H new ATOM 0 HB VAL A 27 10.341 -4.042 8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.128 -3.786 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.694 -2.225 7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.564 -3.005 6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.344 -5.825 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.842 -5.147 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.838 -5.822 8.224 1.00 0.00 H new ATOM 387 N TYR A 28 13.295 -3.156 6.244 1.00 0.00 N ATOM 388 CA TYR A 28 14.312 -3.542 5.279 1.00 0.00 C ATOM 389 C TYR A 28 15.466 -2.550 5.293 1.00 0.00 C ATOM 390 O TYR A 28 16.611 -2.888 4.978 1.00 0.00 O ATOM 391 CB TYR A 28 13.689 -3.613 3.886 1.00 0.00 C ATOM 392 CG TYR A 28 12.489 -4.527 3.832 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.636 -5.907 3.863 1.00 0.00 C ATOM 394 CD2 TYR A 28 11.207 -4.006 3.769 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.533 -6.740 3.832 1.00 0.00 C ATOM 396 CE2 TYR A 28 10.103 -4.830 3.736 1.00 0.00 C ATOM 397 CZ TYR A 28 10.270 -6.195 3.768 1.00 0.00 C ATOM 398 OH TYR A 28 9.170 -7.019 3.738 1.00 0.00 O ATOM 0 H TYR A 28 12.544 -2.589 5.850 1.00 0.00 H new ATOM 0 HA TYR A 28 14.705 -4.522 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.393 -2.612 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.438 -3.961 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.626 -6.336 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.070 -2.935 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.661 -7.812 3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.111 -4.406 3.685 1.00 0.00 H new ATOM 0 HH TYR A 28 8.560 -6.725 3.030 1.00 0.00 H new ATOM 408 N GLY A 29 15.152 -1.320 5.662 1.00 0.00 N ATOM 409 CA GLY A 29 16.156 -0.294 5.736 1.00 0.00 C ATOM 410 C GLY A 29 16.328 0.423 4.422 1.00 0.00 C ATOM 411 O GLY A 29 15.941 -0.091 3.368 1.00 0.00 O ATOM 0 H GLY A 29 14.211 -1.017 5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.883 0.425 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.106 -0.737 6.034 1.00 0.00 H new ATOM 415 N ALA A 30 16.902 1.614 4.479 1.00 0.00 N ATOM 416 CA ALA A 30 17.189 2.372 3.275 1.00 0.00 C ATOM 417 C ALA A 30 18.228 1.644 2.441 1.00 0.00 C ATOM 418 O ALA A 30 18.314 1.838 1.232 1.00 0.00 O ATOM 419 CB ALA A 30 17.667 3.773 3.626 1.00 0.00 C ATOM 0 H ALA A 30 17.178 2.075 5.346 1.00 0.00 H new ATOM 0 HA ALA A 30 16.273 2.464 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.877 4.326 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.893 4.290 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.574 3.708 4.227 1.00 0.00 H new ATOM 425 N TYR A 31 19.012 0.799 3.104 1.00 0.00 N ATOM 426 CA TYR A 31 20.013 -0.007 2.442 1.00 0.00 C ATOM 427 C TYR A 31 19.369 -1.039 1.517 1.00 0.00 C ATOM 428 O TYR A 31 19.722 -1.128 0.346 1.00 0.00 O ATOM 429 CB TYR A 31 20.879 -0.706 3.487 1.00 0.00 C ATOM 430 CG TYR A 31 22.130 -1.302 2.910 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.262 -2.670 2.738 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.174 -0.485 2.526 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.411 -3.209 2.192 1.00 0.00 C ATOM 434 CE2 TYR A 31 24.330 -1.010 1.982 1.00 0.00 C ATOM 435 CZ TYR A 31 24.443 -2.375 1.816 1.00 0.00 C ATOM 436 OH TYR A 31 25.588 -2.906 1.263 1.00 0.00 O ATOM 0 H TYR A 31 18.966 0.659 4.113 1.00 0.00 H new ATOM 0 HA TYR A 31 20.635 0.648 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.149 0.009 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.296 -1.493 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 31 21.456 -3.324 3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.085 0.584 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.500 -4.277 2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 31 25.139 -0.357 1.689 1.00 0.00 H new ATOM 0 HH TYR A 31 26.216 -2.183 1.053 1.00 0.00 H new ATOM 446 N ALA A 32 18.424 -1.822 2.042 1.00 0.00 N ATOM 447 CA ALA A 32 17.744 -2.828 1.238 1.00 0.00 C ATOM 448 C ALA A 32 16.940 -2.180 0.127 1.00 0.00 C ATOM 449 O ALA A 32 16.949 -2.648 -1.005 1.00 0.00 O ATOM 450 CB ALA A 32 16.840 -3.696 2.092 1.00 0.00 C ATOM 0 H ALA A 32 18.117 -1.776 3.014 1.00 0.00 H new ATOM 0 HA ALA A 32 18.511 -3.462 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.347 -4.437 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.434 -4.203 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.088 -3.073 2.576 1.00 0.00 H new ATOM 456 N LEU A 33 16.252 -1.098 0.453 1.00 0.00 N ATOM 457 CA LEU A 33 15.458 -0.394 -0.537 1.00 0.00 C ATOM 458 C LEU A 33 16.338 0.174 -1.641 1.00 0.00 C ATOM 459 O LEU A 33 15.976 0.141 -2.815 1.00 0.00 O ATOM 460 CB LEU A 33 14.647 0.713 0.127 1.00 0.00 C ATOM 461 CG LEU A 33 13.193 0.359 0.391 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.096 -0.895 1.240 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.500 1.519 1.070 1.00 0.00 C ATOM 0 H LEU A 33 16.228 -0.692 1.388 1.00 0.00 H new ATOM 0 HA LEU A 33 14.770 -1.106 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.121 0.976 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.683 1.601 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 33 12.698 0.161 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.047 -1.133 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.573 -1.725 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.598 -0.729 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.458 1.261 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.996 1.736 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.546 2.398 0.427 1.00 0.00 H new ATOM 475 N TYR A 34 17.506 0.664 -1.262 1.00 0.00 N ATOM 476 CA TYR A 34 18.476 1.156 -2.221 1.00 0.00 C ATOM 477 C TYR A 34 18.987 0.002 -3.066 1.00 0.00 C ATOM 478 O TYR A 34 19.237 0.145 -4.262 1.00 0.00 O ATOM 479 CB TYR A 34 19.634 1.833 -1.483 1.00 0.00 C ATOM 480 CG TYR A 34 20.890 1.979 -2.304 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.066 3.058 -3.156 1.00 0.00 C ATOM 482 CD2 TYR A 34 21.903 1.031 -2.223 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.216 3.189 -3.907 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.055 1.156 -2.971 1.00 0.00 C ATOM 485 CZ TYR A 34 23.205 2.237 -3.812 1.00 0.00 C ATOM 486 OH TYR A 34 24.351 2.370 -4.562 1.00 0.00 O ATOM 0 H TYR A 34 17.805 0.731 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 34 18.003 1.888 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.312 2.821 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.864 1.258 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.292 3.807 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 34 21.786 0.183 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.339 4.035 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 23.834 0.412 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 34 24.950 1.616 -4.380 1.00 0.00 H new ATOM 496 N ARG A 35 19.114 -1.149 -2.425 1.00 0.00 N ATOM 497 CA ARG A 35 19.646 -2.332 -3.069 1.00 0.00 C ATOM 498 C ARG A 35 18.730 -2.807 -4.182 1.00 0.00 C ATOM 499 O ARG A 35 19.178 -3.120 -5.284 1.00 0.00 O ATOM 500 CB ARG A 35 19.840 -3.444 -2.042 1.00 0.00 C ATOM 501 CG ARG A 35 21.166 -3.384 -1.313 1.00 0.00 C ATOM 502 CD ARG A 35 21.421 -4.673 -0.553 1.00 0.00 C ATOM 503 NE ARG A 35 20.561 -4.817 0.624 1.00 0.00 N ATOM 504 CZ ARG A 35 20.101 -5.991 1.065 1.00 0.00 C ATOM 505 NH1 ARG A 35 20.381 -7.109 0.407 1.00 0.00 N ATOM 506 NH2 ARG A 35 19.361 -6.046 2.167 1.00 0.00 N ATOM 0 H ARG A 35 18.852 -1.286 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 35 20.610 -2.075 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.033 -3.395 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.757 -4.408 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.971 -3.212 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.168 -2.542 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.261 -5.520 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.465 -4.705 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 35 20.299 -3.974 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.950 -7.074 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.028 -8.003 0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.143 -5.191 2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.011 -6.944 2.502 1.00 0.00 H new ATOM 520 N TYR A 36 17.442 -2.832 -3.891 1.00 0.00 N ATOM 521 CA TYR A 36 16.456 -3.335 -4.835 1.00 0.00 C ATOM 522 C TYR A 36 15.879 -2.226 -5.698 1.00 0.00 C ATOM 523 O TYR A 36 14.852 -2.411 -6.333 1.00 0.00 O ATOM 524 CB TYR A 36 15.340 -4.052 -4.083 1.00 0.00 C ATOM 525 CG TYR A 36 15.815 -5.320 -3.434 1.00 0.00 C ATOM 526 CD1 TYR A 36 16.551 -5.278 -2.264 1.00 0.00 C ATOM 527 CD2 TYR A 36 15.549 -6.554 -4.000 1.00 0.00 C ATOM 528 CE1 TYR A 36 17.014 -6.425 -1.668 1.00 0.00 C ATOM 529 CE2 TYR A 36 16.002 -7.717 -3.412 1.00 0.00 C ATOM 530 CZ TYR A 36 16.738 -7.647 -2.244 1.00 0.00 C ATOM 531 OH TYR A 36 17.196 -8.802 -1.653 1.00 0.00 O ATOM 0 H TYR A 36 17.052 -2.509 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 36 16.959 -4.037 -5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 36 14.932 -3.387 -3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.528 -4.282 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.766 -4.322 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 36 14.978 -6.608 -4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 36 17.590 -6.371 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 36 15.783 -8.675 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 36 16.914 -9.575 -2.185 1.00 0.00 H new ATOM 541 N ASN A 37 16.556 -1.078 -5.704 1.00 0.00 N ATOM 542 CA ASN A 37 16.133 0.088 -6.485 1.00 0.00 C ATOM 543 C ASN A 37 14.674 0.427 -6.191 1.00 0.00 C ATOM 544 O ASN A 37 13.874 0.693 -7.091 1.00 0.00 O ATOM 545 CB ASN A 37 16.335 -0.154 -7.985 1.00 0.00 C ATOM 546 CG ASN A 37 16.374 1.136 -8.793 1.00 0.00 C ATOM 547 OD1 ASN A 37 17.429 1.746 -8.960 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.230 1.561 -9.298 1.00 0.00 N ATOM 0 H ASN A 37 17.412 -0.928 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 37 16.753 0.935 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.266 -0.701 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.529 -0.786 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.203 2.421 -9.846 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.374 1.030 -9.140 1.00 0.00 H new ATOM 555 N ILE A 38 14.328 0.387 -4.924 1.00 0.00 N ATOM 556 CA ILE A 38 12.995 0.736 -4.499 1.00 0.00 C ATOM 557 C ILE A 38 12.911 2.233 -4.283 1.00 0.00 C ATOM 558 O ILE A 38 13.583 2.791 -3.415 1.00 0.00 O ATOM 559 CB ILE A 38 12.604 -0.007 -3.217 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.693 -1.513 -3.455 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.203 0.391 -2.788 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.428 -2.341 -2.226 1.00 0.00 C ATOM 0 H ILE A 38 14.956 0.115 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 38 12.295 0.438 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 38 13.292 0.263 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.979 -1.791 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.686 -1.753 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.936 -0.143 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.171 1.465 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.495 0.138 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.509 -3.399 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.158 -2.093 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.424 -2.132 -1.856 1.00 0.00 H new ATOM 574 N ARG A 39 12.097 2.877 -5.091 1.00 0.00 N ATOM 575 CA ARG A 39 12.034 4.323 -5.111 1.00 0.00 C ATOM 576 C ARG A 39 10.875 4.814 -4.262 1.00 0.00 C ATOM 577 O ARG A 39 10.086 4.020 -3.750 1.00 0.00 O ATOM 578 CB ARG A 39 11.847 4.843 -6.534 1.00 0.00 C ATOM 579 CG ARG A 39 12.674 4.154 -7.598 1.00 0.00 C ATOM 580 CD ARG A 39 14.146 4.034 -7.239 1.00 0.00 C ATOM 581 NE ARG A 39 14.762 5.331 -6.957 1.00 0.00 N ATOM 582 CZ ARG A 39 16.040 5.617 -7.217 1.00 0.00 C ATOM 583 NH1 ARG A 39 16.831 4.712 -7.785 1.00 0.00 N ATOM 584 NH2 ARG A 39 16.527 6.816 -6.916 1.00 0.00 N ATOM 0 H ARG A 39 11.465 2.418 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 39 12.976 4.697 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.794 4.749 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.085 5.907 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.269 3.157 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.580 4.705 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.253 3.388 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.679 3.553 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 39 14.182 6.058 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.463 3.792 -8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.806 4.938 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.925 7.518 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.503 7.034 -7.115 1.00 0.00 H new ATOM 598 N ARG A 40 10.757 6.125 -4.152 1.00 0.00 N ATOM 599 CA ARG A 40 9.701 6.732 -3.352 1.00 0.00 C ATOM 600 C ARG A 40 8.897 7.713 -4.187 1.00 0.00 C ATOM 601 O ARG A 40 9.460 8.494 -4.956 1.00 0.00 O ATOM 602 CB ARG A 40 10.278 7.461 -2.141 1.00 0.00 C ATOM 603 CG ARG A 40 9.222 7.882 -1.131 1.00 0.00 C ATOM 604 CD ARG A 40 9.833 8.650 0.027 1.00 0.00 C ATOM 605 NE ARG A 40 10.288 9.975 -0.381 1.00 0.00 N ATOM 606 CZ ARG A 40 11.414 10.544 0.049 1.00 0.00 C ATOM 607 NH1 ARG A 40 12.195 9.911 0.916 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.751 11.757 -0.374 1.00 0.00 N ATOM 0 H ARG A 40 11.379 6.793 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 40 9.050 5.929 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.004 6.814 -1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.818 8.345 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.472 8.501 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.707 6.999 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.098 8.748 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.673 8.087 0.434 1.00 0.00 H new ATOM 0 HE ARG A 40 9.708 10.499 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.934 8.985 1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.056 10.350 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.148 12.255 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.613 12.191 -0.044 1.00 0.00 H new ATOM 686 N TYR A 45 -3.195 9.203 -2.322 1.00 0.00 N ATOM 687 CA TYR A 45 -4.056 8.140 -2.831 1.00 0.00 C ATOM 688 C TYR A 45 -3.366 6.778 -2.784 1.00 0.00 C ATOM 689 O TYR A 45 -2.164 6.674 -2.526 1.00 0.00 O ATOM 690 CB TYR A 45 -4.530 8.436 -4.258 1.00 0.00 C ATOM 691 CG TYR A 45 -3.437 8.323 -5.283 1.00 0.00 C ATOM 692 CD1 TYR A 45 -2.530 9.349 -5.450 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.300 7.185 -6.064 1.00 0.00 C ATOM 694 CE1 TYR A 45 -1.509 9.260 -6.368 1.00 0.00 C ATOM 695 CE2 TYR A 45 -2.282 7.082 -6.992 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.387 8.122 -7.141 1.00 0.00 C ATOM 697 OH TYR A 45 -0.367 8.019 -8.063 1.00 0.00 O ATOM 0 HA TYR A 45 -4.926 8.105 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.334 7.747 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.949 9.442 -4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.623 10.241 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.998 6.369 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.808 10.074 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.187 6.193 -7.597 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.426 7.154 -8.521 1.00 0.00 H new ATOM 707 N GLN A 46 -4.144 5.747 -3.060 1.00 0.00 N ATOM 708 CA GLN A 46 -3.682 4.375 -2.951 1.00 0.00 C ATOM 709 C GLN A 46 -2.568 4.084 -3.957 1.00 0.00 C ATOM 710 O GLN A 46 -2.697 4.347 -5.154 1.00 0.00 O ATOM 711 CB GLN A 46 -4.858 3.404 -3.148 1.00 0.00 C ATOM 712 CG GLN A 46 -5.365 3.287 -4.585 1.00 0.00 C ATOM 713 CD GLN A 46 -6.042 4.544 -5.106 1.00 0.00 C ATOM 714 OE1 GLN A 46 -5.976 4.846 -6.297 1.00 0.00 O ATOM 715 NE2 GLN A 46 -6.718 5.269 -4.229 1.00 0.00 N ATOM 0 H GLN A 46 -5.113 5.837 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.271 4.232 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.555 2.415 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.684 3.723 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.526 3.042 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.068 2.456 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.749 4.986 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.208 6.111 -4.533 1.00 0.00 H new ATOM 724 N ARG A 47 -1.464 3.558 -3.460 1.00 0.00 N ATOM 725 CA ARG A 47 -0.350 3.175 -4.309 1.00 0.00 C ATOM 726 C ARG A 47 0.396 2.022 -3.657 1.00 0.00 C ATOM 727 O ARG A 47 1.619 2.037 -3.513 1.00 0.00 O ATOM 728 CB ARG A 47 0.580 4.366 -4.548 1.00 0.00 C ATOM 729 CG ARG A 47 1.525 4.192 -5.732 1.00 0.00 C ATOM 730 CD ARG A 47 0.772 4.092 -7.053 1.00 0.00 C ATOM 731 NE ARG A 47 0.139 2.784 -7.250 1.00 0.00 N ATOM 732 CZ ARG A 47 -1.083 2.613 -7.764 1.00 0.00 C ATOM 733 NH1 ARG A 47 -1.821 3.663 -8.099 1.00 0.00 N ATOM 734 NH2 ARG A 47 -1.565 1.389 -7.941 1.00 0.00 N ATOM 0 H ARG A 47 -1.314 3.385 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.726 2.853 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.025 5.259 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.171 4.538 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.216 5.034 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.125 3.294 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.009 4.869 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.462 4.284 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 47 0.664 1.953 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.457 4.606 -7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.753 3.527 -8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.003 0.577 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.498 1.260 -8.333 1.00 0.00 H new ATOM 748 N ILE A 48 -0.373 1.031 -3.248 1.00 0.00 N ATOM 749 CA ILE A 48 0.156 -0.115 -2.535 1.00 0.00 C ATOM 750 C ILE A 48 0.559 -1.210 -3.513 1.00 0.00 C ATOM 751 O ILE A 48 -0.106 -1.417 -4.529 1.00 0.00 O ATOM 752 CB ILE A 48 -0.893 -0.661 -1.553 1.00 0.00 C ATOM 753 CG1 ILE A 48 -1.467 0.485 -0.715 1.00 0.00 C ATOM 754 CG2 ILE A 48 -0.274 -1.723 -0.657 1.00 0.00 C ATOM 755 CD1 ILE A 48 -2.720 0.117 0.045 1.00 0.00 C ATOM 0 H ILE A 48 -1.381 0.998 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 48 1.037 0.204 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.704 -1.121 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.709 0.820 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.685 1.328 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.028 -2.101 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.100 -2.543 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.550 -1.287 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.067 0.979 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.495 -0.189 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.504 -0.705 0.727 1.00 0.00 H new ATOM 767 N ARG A 49 1.639 -1.913 -3.206 1.00 0.00 N ATOM 768 CA ARG A 49 2.143 -2.968 -4.075 1.00 0.00 C ATOM 769 C ARG A 49 1.396 -4.282 -3.819 1.00 0.00 C ATOM 770 O ARG A 49 2.003 -5.337 -3.624 1.00 0.00 O ATOM 771 CB ARG A 49 3.655 -3.133 -3.861 1.00 0.00 C ATOM 772 CG ARG A 49 4.334 -4.099 -4.826 1.00 0.00 C ATOM 773 CD ARG A 49 4.136 -3.695 -6.277 1.00 0.00 C ATOM 774 NE ARG A 49 4.897 -4.554 -7.182 1.00 0.00 N ATOM 775 CZ ARG A 49 4.539 -4.828 -8.436 1.00 0.00 C ATOM 776 NH1 ARG A 49 3.413 -4.334 -8.933 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.310 -5.600 -9.193 1.00 0.00 N ATOM 0 H ARG A 49 2.186 -1.771 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 49 1.969 -2.691 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.130 -2.156 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.828 -3.478 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.400 -4.141 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.937 -5.102 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.077 -3.748 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.445 -2.658 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 49 5.759 -4.971 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.817 -3.742 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.143 -4.546 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.176 -5.983 -8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.036 -5.810 -10.153 1.00 0.00 H new ATOM 791 N SER A 50 0.070 -4.193 -3.818 1.00 0.00 N ATOM 792 CA SER A 50 -0.797 -5.356 -3.670 1.00 0.00 C ATOM 793 C SER A 50 -0.531 -6.093 -2.353 1.00 0.00 C ATOM 794 O SER A 50 -0.009 -5.514 -1.394 1.00 0.00 O ATOM 795 CB SER A 50 -0.605 -6.294 -4.871 1.00 0.00 C ATOM 796 OG SER A 50 -1.673 -7.220 -4.984 1.00 0.00 O ATOM 0 H SER A 50 -0.434 -3.312 -3.920 1.00 0.00 H new ATOM 0 HA SER A 50 -1.832 -5.015 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.534 -5.706 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.336 -6.834 -4.766 1.00 0.00 H new ATOM 0 HG SER A 50 -1.522 -7.801 -5.759 1.00 0.00 H new ATOM 802 N ASP A 51 -0.941 -7.352 -2.320 1.00 0.00 N ATOM 803 CA ASP A 51 -0.782 -8.223 -1.160 1.00 0.00 C ATOM 804 C ASP A 51 -1.240 -9.621 -1.559 1.00 0.00 C ATOM 805 O ASP A 51 -1.226 -9.952 -2.745 1.00 0.00 O ATOM 806 CB ASP A 51 -1.603 -7.713 0.030 1.00 0.00 C ATOM 807 CG ASP A 51 -1.039 -8.142 1.369 1.00 0.00 C ATOM 808 OD1 ASP A 51 -1.444 -9.207 1.867 1.00 0.00 O ATOM 809 OD2 ASP A 51 -0.210 -7.404 1.939 1.00 0.00 O ATOM 0 H ASP A 51 -1.401 -7.806 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 51 0.263 -8.237 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.647 -6.625 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.626 -8.077 -0.060 1.00 0.00 H new ATOM 814 N HIS A 52 -1.677 -10.434 -0.609 1.00 0.00 N ATOM 815 CA HIS A 52 -2.055 -11.806 -0.930 1.00 0.00 C ATOM 816 C HIS A 52 -3.419 -11.889 -1.634 1.00 0.00 C ATOM 817 O HIS A 52 -3.634 -12.777 -2.459 1.00 0.00 O ATOM 818 CB HIS A 52 -1.996 -12.727 0.304 1.00 0.00 C ATOM 819 CG HIS A 52 -2.904 -12.381 1.451 1.00 0.00 C ATOM 820 ND1 HIS A 52 -4.253 -12.668 1.467 1.00 0.00 N ATOM 821 CD2 HIS A 52 -2.633 -11.814 2.650 1.00 0.00 C ATOM 822 CE1 HIS A 52 -4.769 -12.292 2.622 1.00 0.00 C ATOM 823 NE2 HIS A 52 -3.808 -11.772 3.355 1.00 0.00 N ATOM 0 H HIS A 52 -1.778 -10.177 0.373 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.312 -12.170 -1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.227 -13.742 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.970 -12.736 0.673 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.772 -13.103 0.704 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.670 -11.460 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.803 -12.394 2.915 1.00 0.00 H new ATOM 832 N ASP A 53 -4.332 -10.968 -1.329 1.00 0.00 N ATOM 833 CA ASP A 53 -5.637 -10.932 -2.010 1.00 0.00 C ATOM 834 C ASP A 53 -6.009 -9.507 -2.406 1.00 0.00 C ATOM 835 O ASP A 53 -7.175 -9.117 -2.325 1.00 0.00 O ATOM 836 CB ASP A 53 -6.754 -11.506 -1.126 1.00 0.00 C ATOM 837 CG ASP A 53 -6.745 -13.022 -1.045 1.00 0.00 C ATOM 838 OD1 ASP A 53 -7.452 -13.665 -1.852 1.00 0.00 O ATOM 839 OD2 ASP A 53 -6.041 -13.579 -0.174 1.00 0.00 O ATOM 0 H ASP A 53 -4.200 -10.242 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.539 -11.548 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.657 -11.096 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.718 -11.177 -1.513 1.00 0.00 H new ATOM 844 N SER A 54 -5.024 -8.726 -2.820 1.00 0.00 N ATOM 845 CA SER A 54 -5.249 -7.318 -3.123 1.00 0.00 C ATOM 846 C SER A 54 -5.694 -7.099 -4.560 1.00 0.00 C ATOM 847 O SER A 54 -5.349 -7.861 -5.462 1.00 0.00 O ATOM 848 CB SER A 54 -3.991 -6.508 -2.846 1.00 0.00 C ATOM 849 OG SER A 54 -3.882 -6.154 -1.482 1.00 0.00 O ATOM 0 H SER A 54 -4.063 -9.040 -2.954 1.00 0.00 H new ATOM 0 HA SER A 54 -6.055 -6.979 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.115 -7.085 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.999 -5.605 -3.456 1.00 0.00 H new ATOM 0 HG SER A 54 -4.650 -5.602 -1.225 1.00 0.00 H new ATOM 855 N HIS A 55 -6.460 -6.032 -4.751 1.00 0.00 N ATOM 856 CA HIS A 55 -6.987 -5.663 -6.060 1.00 0.00 C ATOM 857 C HIS A 55 -7.557 -4.253 -6.007 1.00 0.00 C ATOM 858 O HIS A 55 -7.511 -3.609 -4.962 1.00 0.00 O ATOM 859 CB HIS A 55 -8.048 -6.658 -6.556 1.00 0.00 C ATOM 860 CG HIS A 55 -9.078 -7.048 -5.541 1.00 0.00 C ATOM 861 ND1 HIS A 55 -10.369 -6.569 -5.547 1.00 0.00 N ATOM 862 CD2 HIS A 55 -9.007 -7.917 -4.509 1.00 0.00 C ATOM 863 CE1 HIS A 55 -11.046 -7.132 -4.569 1.00 0.00 C ATOM 864 NE2 HIS A 55 -10.245 -7.955 -3.920 1.00 0.00 N ATOM 0 H HIS A 55 -6.734 -5.397 -4.002 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.163 -5.694 -6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.556 -6.224 -7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.544 -7.560 -6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.136 -8.478 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.085 -6.950 -4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.503 -8.525 -3.114 1.00 0.00 H new ATOM 873 N SER A 56 -8.071 -3.774 -7.125 1.00 0.00 N ATOM 874 CA SER A 56 -8.620 -2.425 -7.199 1.00 0.00 C ATOM 875 C SER A 56 -10.103 -2.391 -6.825 1.00 0.00 C ATOM 876 O SER A 56 -10.844 -3.342 -7.089 1.00 0.00 O ATOM 877 CB SER A 56 -8.427 -1.864 -8.597 1.00 0.00 C ATOM 878 OG SER A 56 -7.054 -1.835 -8.955 1.00 0.00 O ATOM 0 H SER A 56 -8.122 -4.298 -7.999 1.00 0.00 H new ATOM 0 HA SER A 56 -8.083 -1.810 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.979 -2.471 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.840 -0.856 -8.647 1.00 0.00 H new ATOM 0 HG SER A 56 -6.504 -1.881 -8.145 1.00 0.00 H new ATOM 884 N CYS A 57 -10.520 -1.296 -6.198 1.00 0.00 N ATOM 885 CA CYS A 57 -11.918 -1.080 -5.843 1.00 0.00 C ATOM 886 C CYS A 57 -12.229 0.416 -5.840 1.00 0.00 C ATOM 887 O CYS A 57 -11.354 1.234 -6.139 1.00 0.00 O ATOM 888 CB CYS A 57 -12.207 -1.673 -4.467 1.00 0.00 C ATOM 889 SG CYS A 57 -11.138 -1.011 -3.149 1.00 0.00 S ATOM 0 H CYS A 57 -9.900 -0.535 -5.922 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.550 -1.574 -6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.249 -1.481 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.084 -2.755 -4.514 1.00 0.00 H new ATOM 894 N ALA A 58 -13.474 0.767 -5.517 1.00 0.00 N ATOM 895 CA ALA A 58 -13.904 2.163 -5.430 1.00 0.00 C ATOM 896 C ALA A 58 -13.706 2.880 -6.759 1.00 0.00 C ATOM 897 O ALA A 58 -13.320 4.048 -6.792 1.00 0.00 O ATOM 898 CB ALA A 58 -13.162 2.887 -4.311 1.00 0.00 C ATOM 0 H ALA A 58 -14.211 0.094 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.969 2.173 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.497 3.923 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.368 2.395 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.090 2.860 -4.508 1.00 0.00 H new ATOM 904 N ASN A 59 -13.990 2.171 -7.849 1.00 0.00 N ATOM 905 CA ASN A 59 -13.727 2.669 -9.206 1.00 0.00 C ATOM 906 C ASN A 59 -12.231 2.956 -9.359 1.00 0.00 C ATOM 907 O ASN A 59 -11.819 3.965 -9.929 1.00 0.00 O ATOM 908 CB ASN A 59 -14.568 3.923 -9.501 1.00 0.00 C ATOM 909 CG ASN A 59 -14.625 4.269 -10.979 1.00 0.00 C ATOM 910 OD1 ASN A 59 -13.821 5.052 -11.488 1.00 0.00 O ATOM 911 ND2 ASN A 59 -15.582 3.683 -11.680 1.00 0.00 N ATOM 0 H ASN A 59 -14.406 1.240 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.016 1.908 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.582 3.769 -9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.154 4.768 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.673 3.874 -12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.229 3.040 -11.223 1.00 0.00 H new ATOM 918 N ASN A 60 -11.431 2.042 -8.812 1.00 0.00 N ATOM 919 CA ASN A 60 -9.971 2.169 -8.746 1.00 0.00 C ATOM 920 C ASN A 60 -9.556 3.483 -8.075 1.00 0.00 C ATOM 921 O ASN A 60 -8.472 4.011 -8.312 1.00 0.00 O ATOM 922 CB ASN A 60 -9.330 2.024 -10.132 1.00 0.00 C ATOM 923 CG ASN A 60 -7.810 1.905 -10.077 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.116 2.269 -11.026 1.00 0.00 O ATOM 925 ND2 ASN A 60 -7.274 1.404 -8.966 1.00 0.00 N ATOM 0 H ASN A 60 -11.781 1.179 -8.396 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.600 1.351 -8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.740 1.143 -10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.599 2.886 -10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.261 1.313 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.876 1.111 -8.196 1.00 0.00 H new ATOM 932 N ARG A 61 -10.423 4.002 -7.224 1.00 0.00 N ATOM 933 CA ARG A 61 -10.083 5.148 -6.401 1.00 0.00 C ATOM 934 C ARG A 61 -9.718 4.659 -5.012 1.00 0.00 C ATOM 935 O ARG A 61 -9.598 5.435 -4.069 1.00 0.00 O ATOM 936 CB ARG A 61 -11.243 6.144 -6.339 1.00 0.00 C ATOM 937 CG ARG A 61 -11.581 6.761 -7.687 1.00 0.00 C ATOM 938 CD ARG A 61 -12.857 7.582 -7.619 1.00 0.00 C ATOM 939 NE ARG A 61 -14.024 6.754 -7.317 1.00 0.00 N ATOM 940 CZ ARG A 61 -15.278 7.201 -7.340 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.533 8.467 -7.652 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.280 6.377 -7.057 1.00 0.00 N ATOM 0 H ARG A 61 -11.369 3.647 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.233 5.669 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.126 5.639 -5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.993 6.939 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.757 7.394 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.694 5.973 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.752 8.353 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.011 8.093 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.868 5.776 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.766 9.102 -7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.495 8.804 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.089 5.403 -6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.241 6.718 -7.074 1.00 0.00 H new ATOM 956 N GLY A 62 -9.561 3.348 -4.909 1.00 0.00 N ATOM 957 CA GLY A 62 -9.121 2.729 -3.682 1.00 0.00 C ATOM 958 C GLY A 62 -8.515 1.367 -3.943 1.00 0.00 C ATOM 959 O GLY A 62 -9.018 0.607 -4.771 1.00 0.00 O ATOM 0 H GLY A 62 -9.735 2.693 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.387 3.369 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.964 2.630 -2.999 1.00 0.00 H new ATOM 963 N TRP A 63 -7.400 1.086 -3.300 1.00 0.00 N ATOM 964 CA TRP A 63 -6.793 -0.238 -3.376 1.00 0.00 C ATOM 965 C TRP A 63 -7.298 -1.138 -2.246 1.00 0.00 C ATOM 966 O TRP A 63 -7.433 -0.699 -1.107 1.00 0.00 O ATOM 967 CB TRP A 63 -5.268 -0.128 -3.309 1.00 0.00 C ATOM 968 CG TRP A 63 -4.580 -1.431 -3.556 1.00 0.00 C ATOM 969 CD1 TRP A 63 -3.981 -2.235 -2.634 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.439 -2.084 -4.815 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.472 -3.352 -3.246 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.741 -3.282 -4.591 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.839 -1.767 -6.113 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.435 -4.165 -5.626 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.536 -2.638 -7.133 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.840 -3.827 -6.888 1.00 0.00 C ATOM 0 H TRP A 63 -6.892 1.752 -2.718 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.079 -0.685 -4.328 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.929 0.601 -4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.979 0.250 -2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -3.916 -2.024 -1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.975 -4.110 -2.779 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.378 -0.853 -6.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.898 -5.083 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.841 -2.400 -8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.618 -4.490 -7.711 1.00 0.00 H new ATOM 987 N CYS A 64 -7.584 -2.392 -2.568 1.00 0.00 N ATOM 988 CA CYS A 64 -7.992 -3.366 -1.563 1.00 0.00 C ATOM 989 C CYS A 64 -6.776 -3.899 -0.830 1.00 0.00 C ATOM 990 O CYS A 64 -5.930 -4.556 -1.436 1.00 0.00 O ATOM 991 CB CYS A 64 -8.733 -4.538 -2.207 1.00 0.00 C ATOM 992 SG CYS A 64 -10.152 -4.052 -3.241 1.00 0.00 S ATOM 0 H CYS A 64 -7.541 -2.760 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.659 -2.863 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.031 -5.105 -2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.084 -5.207 -1.421 1.00 0.00 H new ATOM 997 N ARG A 65 -6.693 -3.626 0.463 1.00 0.00 N ATOM 998 CA ARG A 65 -5.584 -4.102 1.276 1.00 0.00 C ATOM 999 C ARG A 65 -6.108 -4.620 2.615 1.00 0.00 C ATOM 1000 O ARG A 65 -7.186 -4.227 3.052 1.00 0.00 O ATOM 1001 CB ARG A 65 -4.575 -2.976 1.508 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.155 -3.349 1.117 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.160 -2.924 2.182 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.878 -3.605 2.028 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.068 -3.891 3.045 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.351 -3.447 4.265 1.00 0.00 N ATOM 1007 NH2 ARG A 65 1.029 -4.611 2.842 1.00 0.00 N ATOM 0 H ARG A 65 -7.383 -3.075 0.974 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.084 -4.915 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.883 -2.099 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.592 -2.694 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.089 -4.426 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.900 -2.876 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.008 -1.846 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.570 -3.139 3.169 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.587 -3.877 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.189 -2.887 4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.270 -3.666 5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.253 -4.946 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.648 -4.829 3.623 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.354 -5.520 3.284 1.00 0.00 N ATOM 1022 CA PRO A 66 -5.770 -6.078 4.568 1.00 0.00 C ATOM 1023 C PRO A 66 -5.625 -5.058 5.692 1.00 0.00 C ATOM 1024 O PRO A 66 -6.173 -5.224 6.782 1.00 0.00 O ATOM 1025 CB PRO A 66 -4.824 -7.258 4.792 1.00 0.00 C ATOM 1026 CG PRO A 66 -3.646 -7.027 3.909 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.053 -6.048 2.841 1.00 0.00 C ATOM 0 HA PRO A 66 -6.820 -6.371 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.520 -7.319 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.314 -8.200 4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.808 -6.636 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.315 -7.964 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.318 -5.250 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.135 -6.535 1.869 1.00 0.00 H new ATOM 1035 N THR A 67 -4.861 -4.010 5.413 1.00 0.00 N ATOM 1036 CA THR A 67 -4.647 -2.920 6.352 1.00 0.00 C ATOM 1037 C THR A 67 -4.240 -1.679 5.572 1.00 0.00 C ATOM 1038 O THR A 67 -3.480 -1.771 4.607 1.00 0.00 O ATOM 1039 CB THR A 67 -3.550 -3.249 7.384 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.735 -4.575 7.897 1.00 0.00 O ATOM 1041 CG2 THR A 67 -3.574 -2.258 8.539 1.00 0.00 C ATOM 0 H THR A 67 -4.371 -3.893 4.526 1.00 0.00 H new ATOM 0 HA THR A 67 -5.576 -2.756 6.898 1.00 0.00 H new ATOM 0 HB THR A 67 -2.586 -3.181 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.032 -4.774 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.791 -2.512 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.405 -1.251 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.544 -2.300 9.034 1.00 0.00 H new ATOM 1049 N CYS A 68 -4.734 -0.539 5.998 1.00 0.00 N ATOM 1050 CA CYS A 68 -4.564 0.701 5.255 1.00 0.00 C ATOM 1051 C CYS A 68 -3.431 1.547 5.831 1.00 0.00 C ATOM 1052 O CYS A 68 -3.123 1.471 7.022 1.00 0.00 O ATOM 1053 CB CYS A 68 -5.883 1.476 5.267 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.245 0.595 4.432 1.00 0.00 S ATOM 0 H CYS A 68 -5.263 -0.439 6.864 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.292 0.461 4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.169 1.677 6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.734 2.441 4.784 1.00 0.00 H new ATOM 1059 N PHE A 69 -2.800 2.337 4.967 1.00 0.00 N ATOM 1060 CA PHE A 69 -1.707 3.212 5.370 1.00 0.00 C ATOM 1061 C PHE A 69 -2.247 4.589 5.743 1.00 0.00 C ATOM 1062 O PHE A 69 -3.400 4.911 5.461 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.693 3.352 4.236 1.00 0.00 C ATOM 1064 CG PHE A 69 0.075 2.095 3.932 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.249 1.823 4.608 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.358 1.200 2.963 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.979 0.685 4.328 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.366 0.058 2.682 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.538 -0.199 3.365 1.00 0.00 C ATOM 0 H PHE A 69 -3.031 2.388 3.975 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.214 2.771 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.216 3.671 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.013 4.142 4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.600 2.509 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.272 1.399 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.896 0.487 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.016 -0.633 1.929 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.108 -1.090 3.146 1.00 0.00 H new ATOM 1079 N SER A 70 -1.403 5.408 6.356 1.00 0.00 N ATOM 1080 CA SER A 70 -1.806 6.741 6.787 1.00 0.00 C ATOM 1081 C SER A 70 -1.833 7.689 5.590 1.00 0.00 C ATOM 1082 O SER A 70 -0.845 8.373 5.305 1.00 0.00 O ATOM 1083 CB SER A 70 -0.850 7.263 7.865 1.00 0.00 C ATOM 1084 OG SER A 70 -1.289 8.505 8.389 1.00 0.00 O ATOM 0 H SER A 70 -0.433 5.173 6.567 1.00 0.00 H new ATOM 0 HA SER A 70 -2.808 6.688 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.774 6.533 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.149 7.377 7.443 1.00 0.00 H new ATOM 0 HG SER A 70 -0.660 8.811 9.075 1.00 0.00 H new ATOM 1090 N HIS A 71 -2.989 7.722 4.920 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.191 8.435 3.659 1.00 0.00 C ATOM 1092 C HIS A 71 -4.401 7.822 2.969 1.00 0.00 C ATOM 1093 O HIS A 71 -4.864 8.304 1.939 1.00 0.00 O ATOM 1094 CB HIS A 71 -1.951 8.405 2.724 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.639 7.080 2.083 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.718 6.930 1.070 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.137 5.853 2.310 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.671 5.663 0.703 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.522 4.988 1.444 1.00 0.00 N ATOM 0 H HIS A 71 -3.827 7.243 5.248 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.355 9.489 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.098 9.142 1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.080 8.722 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.887 5.595 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.042 5.252 -0.072 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.696 3.985 1.384 1.00 0.00 H new ATOM 1108 N GLU A 72 -4.887 6.726 3.558 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.102 6.064 3.117 1.00 0.00 C ATOM 1110 C GLU A 72 -6.822 5.469 4.328 1.00 0.00 C ATOM 1111 O GLU A 72 -6.232 5.338 5.402 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.770 4.983 2.085 1.00 0.00 C ATOM 1113 CG GLU A 72 -4.917 3.856 2.635 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.031 3.221 1.583 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -4.430 3.179 0.404 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.916 2.784 1.937 1.00 0.00 O ATOM 0 H GLU A 72 -4.441 6.276 4.358 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.762 6.788 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.699 4.567 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.250 5.443 1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.295 4.239 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.565 3.093 3.066 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.090 5.134 4.166 1.00 0.00 N ATOM 1124 CA TYR A 73 -8.894 4.621 5.266 1.00 0.00 C ATOM 1125 C TYR A 73 -9.723 3.427 4.828 1.00 0.00 C ATOM 1126 O TYR A 73 -9.760 3.078 3.649 1.00 0.00 O ATOM 1127 CB TYR A 73 -9.822 5.713 5.807 1.00 0.00 C ATOM 1128 CG TYR A 73 -10.714 6.343 4.758 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.845 5.686 4.279 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.422 7.598 4.249 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.658 6.265 3.323 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -11.229 8.185 3.293 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.345 7.515 2.833 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.154 8.097 1.886 1.00 0.00 O ATOM 0 H TYR A 73 -8.589 5.208 3.279 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.211 4.303 6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.447 5.287 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.217 6.493 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.091 4.706 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.550 8.126 4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.532 5.742 2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.988 9.164 2.907 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.796 8.977 1.646 1.00 0.00 H new ATOM 1144 N THR A 74 -10.407 2.830 5.792 1.00 0.00 N ATOM 1145 CA THR A 74 -11.267 1.692 5.539 1.00 0.00 C ATOM 1146 C THR A 74 -12.611 2.136 4.975 1.00 0.00 C ATOM 1147 O THR A 74 -13.482 2.594 5.713 1.00 0.00 O ATOM 1148 CB THR A 74 -11.513 0.897 6.835 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.260 0.486 7.399 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.378 -0.325 6.573 1.00 0.00 C ATOM 0 H THR A 74 -10.379 3.123 6.769 1.00 0.00 H new ATOM 0 HA THR A 74 -10.761 1.059 4.810 1.00 0.00 H new ATOM 0 HB THR A 74 -12.038 1.546 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.233 0.730 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.535 -0.867 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.341 -0.010 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.880 -0.976 5.855 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.771 2.024 3.666 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.070 2.246 3.055 1.00 0.00 C ATOM 1160 C ASP A 75 -14.873 0.959 3.148 1.00 0.00 C ATOM 1161 O ASP A 75 -14.502 -0.061 2.557 1.00 0.00 O ATOM 1162 CB ASP A 75 -13.936 2.692 1.596 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.273 3.050 0.979 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -15.915 2.160 0.391 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.689 4.227 1.082 1.00 0.00 O ATOM 0 H ASP A 75 -12.026 1.783 3.013 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.583 3.047 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.271 3.554 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.472 1.894 1.016 1.00 0.00 H new ATOM 1170 N TRP A 76 -15.948 1.004 3.921 1.00 0.00 N ATOM 1171 CA TRP A 76 -16.738 -0.179 4.223 1.00 0.00 C ATOM 1172 C TRP A 76 -17.690 -0.534 3.086 1.00 0.00 C ATOM 1173 O TRP A 76 -18.128 -1.678 2.977 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.500 0.028 5.529 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.592 0.054 6.721 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.071 1.154 7.337 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.074 -1.080 7.422 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.272 0.772 8.386 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.256 -0.594 8.458 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.226 -2.458 7.275 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -14.593 -1.439 9.342 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -15.566 -3.295 8.150 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -14.757 -2.786 9.172 1.00 0.00 C ATOM 0 H TRP A 76 -16.296 1.859 4.355 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.056 -1.021 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.056 0.964 5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.232 -0.771 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.259 2.176 7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.771 1.404 9.011 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -16.849 -2.862 6.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -13.972 -1.046 10.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.676 -4.364 8.044 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -14.253 -3.470 9.839 1.00 0.00 H new ATOM 1194 N PHE A 77 -17.991 0.431 2.233 1.00 0.00 N ATOM 1195 CA PHE A 77 -18.857 0.187 1.087 1.00 0.00 C ATOM 1196 C PHE A 77 -18.126 -0.678 0.066 1.00 0.00 C ATOM 1197 O PHE A 77 -18.599 -1.750 -0.339 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.287 1.515 0.458 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.348 1.374 -0.596 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -20.042 1.539 -1.937 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -21.653 1.080 -0.241 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -21.023 1.414 -2.904 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -22.637 0.952 -1.202 1.00 0.00 C ATOM 1204 CZ PHE A 77 -22.321 1.120 -2.535 1.00 0.00 C ATOM 0 H PHE A 77 -17.650 1.389 2.310 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.751 -0.340 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.654 2.176 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.414 1.997 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -19.028 1.767 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -21.905 0.949 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -20.774 1.546 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -23.651 0.721 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 77 -23.088 1.022 -3.289 1.00 0.00 H new ATOM 1214 N ASN A 78 -16.947 -0.230 -0.328 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.133 -0.987 -1.257 1.00 0.00 C ATOM 1216 C ASN A 78 -15.432 -2.132 -0.537 1.00 0.00 C ATOM 1217 O ASN A 78 -14.789 -2.972 -1.154 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.116 -0.091 -1.956 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.760 0.954 -2.841 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.098 0.682 -3.993 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -15.927 2.160 -2.319 1.00 0.00 N ATOM 0 H ASN A 78 -16.535 0.651 -0.020 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.791 -1.404 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.501 0.405 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.449 -0.708 -2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.349 2.903 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.634 2.346 -1.360 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.556 -2.161 0.782 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.105 -3.306 1.556 1.00 0.00 C ATOM 1230 C ASN A 79 -15.926 -4.523 1.148 1.00 0.00 C ATOM 1231 O ASN A 79 -15.423 -5.642 1.085 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.261 -3.017 3.051 1.00 0.00 C ATOM 1233 CG ASN A 79 -14.570 -4.022 3.951 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -14.456 -5.202 3.635 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.101 -3.546 5.094 1.00 0.00 N ATOM 0 H ASN A 79 -15.964 -1.408 1.336 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.051 -3.503 1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.864 -2.024 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.323 -2.995 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.625 -4.167 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.216 -2.558 5.320 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.197 -4.283 0.834 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.083 -5.335 0.353 1.00 0.00 C ATOM 1244 C ASP A 80 -17.631 -5.855 -1.005 1.00 0.00 C ATOM 1245 O ASP A 80 -17.630 -7.061 -1.240 1.00 0.00 O ATOM 1246 CB ASP A 80 -19.529 -4.843 0.260 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.222 -4.808 1.604 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.560 -5.891 2.128 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.442 -3.701 2.144 1.00 0.00 O ATOM 0 H ASP A 80 -17.636 -3.365 0.905 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.037 -6.150 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.541 -3.844 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.087 -5.492 -0.415 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.235 -4.946 -1.900 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.792 -5.357 -3.236 1.00 0.00 C ATOM 1256 C VAL A 81 -15.458 -6.104 -3.177 1.00 0.00 C ATOM 1257 O VAL A 81 -15.076 -6.790 -4.127 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.666 -4.171 -4.224 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -17.907 -3.295 -4.183 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.416 -3.344 -3.973 1.00 0.00 C ATOM 0 H VAL A 81 -17.211 -3.941 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.570 -6.023 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.575 -4.598 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.793 -2.470 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.780 -3.887 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.040 -2.899 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.372 -2.525 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.444 -2.939 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.534 -3.974 -4.087 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.749 -5.957 -2.069 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.490 -6.655 -1.874 1.00 0.00 C ATOM 1272 C CYS A 82 -13.692 -7.957 -1.106 1.00 0.00 C ATOM 1273 O CYS A 82 -12.989 -8.942 -1.339 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.485 -5.758 -1.153 1.00 0.00 C ATOM 1275 SG CYS A 82 -11.992 -4.288 -2.110 1.00 0.00 S ATOM 0 H CYS A 82 -15.025 -5.359 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.091 -6.905 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -12.915 -5.435 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.595 -6.342 -0.917 1.00 0.00 H new ATOM 1280 N GLY A 83 -14.654 -7.957 -0.194 1.00 0.00 N ATOM 1281 CA GLY A 83 -14.980 -9.158 0.546 1.00 0.00 C ATOM 1282 C GLY A 83 -14.022 -9.421 1.691 1.00 0.00 C ATOM 1283 O GLY A 83 -14.370 -9.224 2.854 1.00 0.00 O ATOM 0 H GLY A 83 -15.217 -7.141 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.993 -9.074 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.971 -10.011 -0.133 1.00 0.00 H new ATOM 1287 N SER A 84 -12.815 -9.860 1.365 1.00 0.00 N ATOM 1288 CA SER A 84 -11.826 -10.193 2.380 1.00 0.00 C ATOM 1289 C SER A 84 -11.077 -8.941 2.827 1.00 0.00 C ATOM 1290 O SER A 84 -10.972 -8.660 4.024 1.00 0.00 O ATOM 1291 CB SER A 84 -10.844 -11.239 1.841 1.00 0.00 C ATOM 1292 OG SER A 84 -9.951 -11.676 2.852 1.00 0.00 O ATOM 0 H SER A 84 -12.497 -9.994 0.405 1.00 0.00 H new ATOM 0 HA SER A 84 -12.343 -10.612 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.397 -12.092 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.278 -10.816 1.011 1.00 0.00 H new ATOM 0 HG SER A 84 -9.337 -12.344 2.480 1.00 0.00 H new ATOM 1298 N TYR A 85 -10.558 -8.199 1.862 1.00 0.00 N ATOM 1299 CA TYR A 85 -9.847 -6.963 2.149 1.00 0.00 C ATOM 1300 C TYR A 85 -10.797 -5.797 2.321 1.00 0.00 C ATOM 1301 O TYR A 85 -11.937 -5.824 1.854 1.00 0.00 O ATOM 1302 CB TYR A 85 -8.862 -6.637 1.029 1.00 0.00 C ATOM 1303 CG TYR A 85 -7.576 -7.419 1.095 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -6.573 -7.209 0.162 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.353 -8.359 2.092 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -5.401 -7.906 0.219 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.174 -9.062 2.152 1.00 0.00 C ATOM 1308 CZ TYR A 85 -5.200 -8.831 1.211 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.027 -9.537 1.253 1.00 0.00 O ATOM 0 H TYR A 85 -10.616 -8.432 0.871 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.308 -7.116 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.343 -6.829 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.630 -5.573 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.721 -6.482 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.118 -8.541 2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.631 -7.729 -0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.014 -9.791 2.933 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.364 -9.040 1.777 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.307 -4.778 2.999 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.016 -3.525 3.111 1.00 0.00 C ATOM 1321 C ARG A 86 -10.556 -2.606 1.996 1.00 0.00 C ATOM 1322 O ARG A 86 -9.413 -2.702 1.538 1.00 0.00 O ATOM 1323 CB ARG A 86 -10.753 -2.881 4.474 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.290 -2.544 4.732 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.057 -2.155 6.182 1.00 0.00 C ATOM 1326 NE ARG A 86 -9.341 -3.264 7.092 1.00 0.00 N ATOM 1327 CZ ARG A 86 -9.876 -3.125 8.305 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.218 -1.923 8.758 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -10.077 -4.195 9.060 1.00 0.00 N ATOM 0 H ARG A 86 -9.410 -4.798 3.485 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.088 -3.702 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.344 -1.968 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.102 -3.555 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.668 -3.403 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.983 -1.726 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.023 -1.834 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.689 -1.304 6.437 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.114 -4.207 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.072 -1.098 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.627 -1.826 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.823 -5.120 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.486 -4.094 9.989 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.430 -1.727 1.544 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.070 -0.829 0.470 1.00 0.00 C ATOM 1345 C CYS A 87 -10.376 0.394 1.031 1.00 0.00 C ATOM 1346 O CYS A 87 -10.974 1.174 1.772 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.293 -0.413 -0.329 1.00 0.00 C ATOM 1348 SG CYS A 87 -11.893 0.562 -1.820 1.00 0.00 S ATOM 0 H CYS A 87 -12.380 -1.618 1.899 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.390 -1.354 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -12.844 -1.305 -0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -12.954 0.172 0.311 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.114 0.551 0.690 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.330 1.662 1.177 1.00 0.00 C ATOM 1355 C CYS A 88 -8.565 2.904 0.326 1.00 0.00 C ATOM 1356 O CYS A 88 -7.947 3.100 -0.722 1.00 0.00 O ATOM 1357 CB CYS A 88 -6.855 1.276 1.209 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.479 -0.025 2.435 1.00 0.00 S ATOM 0 H CYS A 88 -8.608 -0.083 0.072 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.644 1.903 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.555 0.932 0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.259 2.161 1.433 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.496 3.725 0.784 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.830 4.973 0.117 1.00 0.00 C ATOM 1365 C ARG A 89 -9.011 6.106 0.712 1.00 0.00 C ATOM 1366 O ARG A 89 -8.934 6.240 1.926 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.322 5.270 0.265 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.191 4.641 -0.806 1.00 0.00 C ATOM 1369 CD ARG A 89 -12.075 5.390 -2.120 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.438 6.800 -1.981 1.00 0.00 N ATOM 1371 CZ ARG A 89 -13.483 7.371 -2.580 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -14.310 6.653 -3.332 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.705 8.665 -2.416 1.00 0.00 N ATOM 0 H ARG A 89 -10.041 3.546 1.627 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.598 4.882 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.656 4.918 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.469 6.350 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.898 3.601 -0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.230 4.637 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.053 5.314 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.720 4.921 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.852 7.386 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.149 5.654 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.106 7.101 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.078 9.220 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.503 9.107 -2.872 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.391 6.929 -0.144 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.494 8.019 0.277 1.00 0.00 C ATOM 1389 C PRO A 90 -8.101 8.925 1.343 1.00 0.00 C ATOM 1390 O PRO A 90 -9.210 9.438 1.182 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.263 8.794 -1.018 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.425 7.770 -2.082 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.518 6.863 -1.606 1.00 0.00 C ATOM 0 HA PRO A 90 -6.585 7.635 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.982 9.605 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.270 9.243 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.686 8.232 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.498 7.218 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.498 7.202 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.388 5.846 -1.977 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.360 9.117 2.423 1.00 0.00 N ATOM 1402 CA GLY A 91 -7.827 9.913 3.533 1.00 0.00 C ATOM 1403 C GLY A 91 -7.454 9.289 4.862 1.00 0.00 C ATOM 1404 O GLY A 91 -6.374 8.693 5.001 1.00 0.00 O ATOM 0 H GLY A 91 -6.426 8.726 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.401 10.914 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.910 10.023 3.473 1.00 0.00 H new ATOM 1408 N ARG A 92 -8.342 9.418 5.839 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.140 8.788 7.135 1.00 0.00 C ATOM 1410 C ARG A 92 -9.422 8.830 7.963 1.00 0.00 C ATOM 1411 O ARG A 92 -9.403 9.084 9.167 1.00 0.00 O ATOM 1412 CB ARG A 92 -6.998 9.472 7.874 1.00 0.00 C ATOM 1413 CG ARG A 92 -6.382 8.612 8.962 1.00 0.00 C ATOM 1414 CD ARG A 92 -5.178 9.285 9.594 1.00 0.00 C ATOM 1415 NE ARG A 92 -4.532 8.427 10.582 1.00 0.00 N ATOM 1416 CZ ARG A 92 -3.421 8.756 11.238 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -2.834 9.925 11.008 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -2.900 7.917 12.123 1.00 0.00 N ATOM 0 H ARG A 92 -9.207 9.952 5.758 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.877 7.742 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.224 9.747 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.365 10.398 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.128 8.406 9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.083 7.652 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.460 9.549 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.490 10.215 10.069 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.957 7.521 10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.234 10.572 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.983 10.176 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.350 7.019 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.049 8.169 12.625 1.00 0.00 H new