USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 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 18 THR OG1 : rot 148:sc= 0.49 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0.383 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -27:sc= 0.743 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.43 USER MOD Single : A 33 THR OG1 : rot -69:sc= -1.9! USER MOD Single : A 37 TYR OH : rot 96:sc= 0.143 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 140:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 172:sc= -2.44! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -119:sc= -0.627 USER MOD Single : A 76 SER OG : rot -179:sc= -1.55 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 208 SER OG : rot 180:sc= 0 USER MOD Single : B 210 THR OG1 : rot -45:sc= 1.28 USER MOD Single : B 213 ASN :FLIP amide:sc= -1.33 F(o=-2,f=-1.3) USER MOD Single : B 215 LYS NZ :NH3+ 157:sc= -3.06 (180deg=-3.31!) USER MOD Single : B 217 THR OG1 : rot 180:sc= 0 USER MOD Single : B 219 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ASP A 11 1.151 0.492 -8.760 1.00 0.00 N ATOM 115 CA ASP A 11 0.827 0.090 -10.122 1.00 0.00 C ATOM 116 C ASP A 11 1.240 -1.357 -10.364 1.00 0.00 C ATOM 117 O ASP A 11 2.192 -1.850 -9.760 1.00 0.00 O ATOM 118 CB ASP A 11 1.554 0.998 -11.118 1.00 0.00 C ATOM 119 CG ASP A 11 0.952 2.400 -11.080 1.00 0.00 C ATOM 120 OD1 ASP A 11 -0.133 2.541 -10.544 1.00 0.00 O ATOM 121 OD2 ASP A 11 1.588 3.310 -11.585 1.00 0.00 O ATOM 0 HA ASP A 11 -0.250 0.180 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.616 1.042 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.474 0.586 -12.124 1.00 0.00 H new ATOM 126 N LEU A 12 0.506 -2.038 -11.237 1.00 0.00 N ATOM 127 CA LEU A 12 0.793 -3.432 -11.533 1.00 0.00 C ATOM 128 C LEU A 12 2.181 -3.565 -12.136 1.00 0.00 C ATOM 129 O LEU A 12 2.679 -2.644 -12.784 1.00 0.00 O ATOM 130 CB LEU A 12 -0.235 -3.964 -12.534 1.00 0.00 C ATOM 131 CG LEU A 12 -1.652 -3.790 -11.975 1.00 0.00 C ATOM 132 CD1 LEU A 12 -2.671 -4.403 -12.953 1.00 0.00 C ATOM 133 CD2 LEU A 12 -1.757 -4.493 -10.614 1.00 0.00 C ATOM 0 H LEU A 12 -0.286 -1.649 -11.748 1.00 0.00 H new ATOM 0 HA LEU A 12 0.744 -4.004 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.141 -3.432 -13.481 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.043 -5.017 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.864 -2.728 -11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.678 -4.279 -12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.598 -3.900 -13.917 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.460 -5.465 -13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.765 -4.369 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.543 -5.555 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.038 -4.055 -9.922 1.00 0.00 H new ATOM 145 N SER A 13 2.808 -4.723 -11.917 1.00 0.00 N ATOM 146 CA SER A 13 4.146 -4.969 -12.441 1.00 0.00 C ATOM 147 C SER A 13 4.278 -6.415 -12.894 1.00 0.00 C ATOM 148 O SER A 13 3.590 -7.302 -12.387 1.00 0.00 O ATOM 149 CB SER A 13 5.189 -4.684 -11.367 1.00 0.00 C ATOM 150 OG SER A 13 4.889 -5.450 -10.207 1.00 0.00 O ATOM 0 H SER A 13 2.411 -5.497 -11.384 1.00 0.00 H new ATOM 0 HA SER A 13 4.309 -4.308 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.184 -4.934 -11.735 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.196 -3.622 -11.124 1.00 0.00 H new ATOM 0 HG SER A 13 5.559 -5.271 -9.514 1.00 0.00 H new ATOM 156 N PHE A 14 5.161 -6.643 -13.861 1.00 0.00 N ATOM 157 CA PHE A 14 5.384 -7.985 -14.400 1.00 0.00 C ATOM 158 C PHE A 14 6.772 -8.496 -14.034 1.00 0.00 C ATOM 159 O PHE A 14 7.737 -7.731 -14.003 1.00 0.00 O ATOM 160 CB PHE A 14 5.238 -7.941 -15.913 1.00 0.00 C ATOM 161 CG PHE A 14 3.901 -7.330 -16.255 1.00 0.00 C ATOM 162 CD1 PHE A 14 3.718 -5.948 -16.132 1.00 0.00 C ATOM 163 CD2 PHE A 14 2.856 -8.138 -16.716 1.00 0.00 C ATOM 164 CE1 PHE A 14 2.487 -5.373 -16.472 1.00 0.00 C ATOM 165 CE2 PHE A 14 1.624 -7.566 -17.053 1.00 0.00 C ATOM 166 CZ PHE A 14 1.440 -6.182 -16.933 1.00 0.00 C ATOM 0 H PHE A 14 5.735 -5.917 -14.289 1.00 0.00 H new ATOM 0 HA PHE A 14 4.647 -8.664 -13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.045 -7.355 -16.353 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.311 -8.946 -16.329 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.525 -5.325 -15.775 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.000 -9.204 -16.812 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.345 -4.306 -16.379 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.816 -8.190 -17.405 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.491 -5.739 -17.196 1.00 0.00 H new ATOM 176 N VAL A 15 6.868 -9.795 -13.764 1.00 0.00 N ATOM 177 CA VAL A 15 8.146 -10.412 -13.410 1.00 0.00 C ATOM 178 C VAL A 15 8.245 -11.807 -14.013 1.00 0.00 C ATOM 179 O VAL A 15 7.242 -12.401 -14.401 1.00 0.00 O ATOM 180 CB VAL A 15 8.283 -10.492 -11.890 1.00 0.00 C ATOM 181 CG1 VAL A 15 8.371 -9.079 -11.314 1.00 0.00 C ATOM 182 CG2 VAL A 15 7.061 -11.206 -11.309 1.00 0.00 C ATOM 0 H VAL A 15 6.079 -10.441 -13.783 1.00 0.00 H new ATOM 0 HA VAL A 15 8.953 -9.799 -13.810 1.00 0.00 H new ATOM 0 HB VAL A 15 9.185 -11.046 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.469 -9.134 -10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.239 -8.569 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.468 -8.525 -11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.155 -11.265 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.159 -10.650 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.997 -12.212 -11.723 1.00 0.00 H new ATOM 192 N ASP A 16 9.466 -12.324 -14.087 1.00 0.00 N ATOM 193 CA ASP A 16 9.684 -13.651 -14.645 1.00 0.00 C ATOM 194 C ASP A 16 8.898 -13.821 -15.943 1.00 0.00 C ATOM 195 O ASP A 16 8.034 -14.691 -16.048 1.00 0.00 O ATOM 196 CB ASP A 16 9.252 -14.723 -13.641 1.00 0.00 C ATOM 197 CG ASP A 16 10.222 -14.765 -12.464 1.00 0.00 C ATOM 198 OD1 ASP A 16 11.251 -14.116 -12.548 1.00 0.00 O ATOM 199 OD2 ASP A 16 9.919 -15.445 -11.499 1.00 0.00 O ATOM 0 H ASP A 16 10.312 -11.849 -13.771 1.00 0.00 H new ATOM 0 HA ASP A 16 10.747 -13.763 -14.857 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.244 -14.512 -13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.219 -15.697 -14.129 1.00 0.00 H new ATOM 204 N ILE A 17 9.217 -12.993 -16.935 1.00 0.00 N ATOM 205 CA ILE A 17 8.554 -13.059 -18.230 1.00 0.00 C ATOM 206 C ILE A 17 9.229 -14.089 -19.126 1.00 0.00 C ATOM 207 O ILE A 17 10.454 -14.144 -19.215 1.00 0.00 O ATOM 208 CB ILE A 17 8.593 -11.692 -18.903 1.00 0.00 C ATOM 209 CG1 ILE A 17 7.737 -10.724 -18.089 1.00 0.00 C ATOM 210 CG2 ILE A 17 8.055 -11.787 -20.338 1.00 0.00 C ATOM 211 CD1 ILE A 17 7.895 -9.292 -18.624 1.00 0.00 C ATOM 0 H ILE A 17 9.932 -12.269 -16.864 1.00 0.00 H new ATOM 0 HA ILE A 17 7.518 -13.357 -18.072 1.00 0.00 H new ATOM 0 HB ILE A 17 9.622 -11.335 -18.947 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.690 -11.024 -18.138 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.031 -10.762 -17.040 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.089 -10.803 -20.805 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.668 -12.482 -20.911 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.025 -12.143 -20.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.279 -8.613 -18.034 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.940 -8.990 -18.552 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.578 -9.256 -19.666 1.00 0.00 H new ATOM 223 N THR A 18 8.412 -14.897 -19.795 1.00 0.00 N ATOM 224 CA THR A 18 8.922 -15.927 -20.701 1.00 0.00 C ATOM 225 C THR A 18 8.176 -15.881 -22.033 1.00 0.00 C ATOM 226 O THR A 18 7.424 -14.944 -22.304 1.00 0.00 O ATOM 227 CB THR A 18 8.777 -17.323 -20.052 1.00 0.00 C ATOM 228 OG1 THR A 18 8.633 -17.170 -18.649 1.00 0.00 O ATOM 229 CG2 THR A 18 10.019 -18.176 -20.346 1.00 0.00 C ATOM 0 H THR A 18 7.395 -14.860 -19.729 1.00 0.00 H new ATOM 0 HA THR A 18 9.978 -15.735 -20.890 1.00 0.00 H new ATOM 0 HB THR A 18 7.900 -17.821 -20.465 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.067 -17.889 -18.298 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.905 -19.156 -19.884 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.133 -18.294 -21.424 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.903 -17.684 -19.940 1.00 0.00 H new ATOM 237 N ASP A 19 8.384 -16.908 -22.852 1.00 0.00 N ATOM 238 CA ASP A 19 7.721 -16.996 -24.151 1.00 0.00 C ATOM 239 C ASP A 19 6.398 -17.740 -24.032 1.00 0.00 C ATOM 240 O ASP A 19 5.394 -17.336 -24.622 1.00 0.00 O ATOM 241 CB ASP A 19 8.618 -17.721 -25.154 1.00 0.00 C ATOM 242 CG ASP A 19 9.052 -19.070 -24.586 1.00 0.00 C ATOM 243 OD1 ASP A 19 8.841 -19.287 -23.402 1.00 0.00 O ATOM 244 OD2 ASP A 19 9.593 -19.862 -25.338 1.00 0.00 O ATOM 0 H ASP A 19 9.005 -17.689 -22.641 1.00 0.00 H new ATOM 0 HA ASP A 19 7.528 -15.982 -24.500 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.084 -17.867 -26.093 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.494 -17.112 -25.377 1.00 0.00 H new ATOM 249 N SER A 20 6.398 -18.833 -23.266 1.00 0.00 N ATOM 250 CA SER A 20 5.189 -19.639 -23.072 1.00 0.00 C ATOM 251 C SER A 20 4.702 -19.548 -21.631 1.00 0.00 C ATOM 252 O SER A 20 3.774 -20.255 -21.234 1.00 0.00 O ATOM 253 CB SER A 20 5.472 -21.098 -23.423 1.00 0.00 C ATOM 254 OG SER A 20 4.353 -21.895 -23.052 1.00 0.00 O ATOM 0 H SER A 20 7.219 -19.180 -22.771 1.00 0.00 H new ATOM 0 HA SER A 20 4.411 -19.249 -23.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.665 -21.196 -24.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.367 -21.442 -22.904 1.00 0.00 H new ATOM 0 HG SER A 20 3.878 -21.466 -22.310 1.00 0.00 H new ATOM 260 N SER A 21 5.329 -18.673 -20.850 1.00 0.00 N ATOM 261 CA SER A 21 4.949 -18.497 -19.451 1.00 0.00 C ATOM 262 C SER A 21 5.314 -17.096 -18.976 1.00 0.00 C ATOM 263 O SER A 21 6.236 -16.471 -19.501 1.00 0.00 O ATOM 264 CB SER A 21 5.665 -19.529 -18.583 1.00 0.00 C ATOM 265 OG SER A 21 7.061 -19.478 -18.851 1.00 0.00 O ATOM 0 H SER A 21 6.098 -18.078 -21.159 1.00 0.00 H new ATOM 0 HA SER A 21 3.871 -18.634 -19.364 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.477 -19.328 -17.528 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.279 -20.527 -18.791 1.00 0.00 H new ATOM 0 HG SER A 21 7.525 -20.138 -18.295 1.00 0.00 H new ATOM 271 N ILE A 22 4.584 -16.606 -17.981 1.00 0.00 N ATOM 272 CA ILE A 22 4.832 -15.271 -17.431 1.00 0.00 C ATOM 273 C ILE A 22 4.505 -15.242 -15.942 1.00 0.00 C ATOM 274 O ILE A 22 3.623 -15.966 -15.479 1.00 0.00 O ATOM 275 CB ILE A 22 3.981 -14.241 -18.174 1.00 0.00 C ATOM 276 CG1 ILE A 22 2.496 -14.605 -18.061 1.00 0.00 C ATOM 277 CG2 ILE A 22 4.390 -14.224 -19.648 1.00 0.00 C ATOM 278 CD1 ILE A 22 1.650 -13.485 -18.668 1.00 0.00 C ATOM 0 H ILE A 22 3.816 -17.109 -17.537 1.00 0.00 H new ATOM 0 HA ILE A 22 5.886 -15.026 -17.560 1.00 0.00 H new ATOM 0 HB ILE A 22 4.139 -13.257 -17.733 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.300 -15.544 -18.578 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.225 -14.754 -17.016 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.787 -13.491 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.444 -13.957 -19.730 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.231 -15.212 -20.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.594 -13.743 -18.588 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.838 -12.555 -18.131 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.914 -13.358 -19.718 1.00 0.00 H new ATOM 290 N GLY A 23 5.218 -14.405 -15.195 1.00 0.00 N ATOM 291 CA GLY A 23 4.996 -14.291 -13.752 1.00 0.00 C ATOM 292 C GLY A 23 4.134 -13.077 -13.418 1.00 0.00 C ATOM 293 O GLY A 23 4.649 -12.030 -13.025 1.00 0.00 O ATOM 0 H GLY A 23 5.952 -13.797 -15.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.512 -15.196 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.955 -14.211 -13.240 1.00 0.00 H new ATOM 297 N LEU A 24 2.823 -13.222 -13.575 1.00 0.00 N ATOM 298 CA LEU A 24 1.908 -12.124 -13.286 1.00 0.00 C ATOM 299 C LEU A 24 1.885 -11.845 -11.794 1.00 0.00 C ATOM 300 O LEU A 24 1.682 -12.750 -10.985 1.00 0.00 O ATOM 301 CB LEU A 24 0.499 -12.481 -13.772 1.00 0.00 C ATOM 302 CG LEU A 24 0.465 -12.493 -15.308 1.00 0.00 C ATOM 303 CD1 LEU A 24 -0.802 -13.206 -15.784 1.00 0.00 C ATOM 304 CD2 LEU A 24 0.468 -11.052 -15.859 1.00 0.00 C ATOM 0 H LEU A 24 2.374 -14.079 -13.897 1.00 0.00 H new ATOM 0 HA LEU A 24 2.250 -11.230 -13.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.208 -13.458 -13.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.222 -11.758 -13.389 1.00 0.00 H new ATOM 0 HG LEU A 24 1.349 -13.016 -15.672 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.827 -13.215 -16.874 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.804 -14.231 -15.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.679 -12.681 -15.405 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.444 -11.079 -16.948 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.408 -10.519 -15.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.371 -10.538 -15.529 1.00 0.00 H new ATOM 316 N ARG A 25 2.098 -10.579 -11.428 1.00 0.00 N ATOM 317 CA ARG A 25 2.104 -10.187 -10.024 1.00 0.00 C ATOM 318 C ARG A 25 1.466 -8.820 -9.851 1.00 0.00 C ATOM 319 O ARG A 25 1.729 -7.895 -10.617 1.00 0.00 O ATOM 320 CB ARG A 25 3.539 -10.167 -9.498 1.00 0.00 C ATOM 321 CG ARG A 25 3.526 -9.848 -8.003 1.00 0.00 C ATOM 322 CD ARG A 25 4.916 -10.083 -7.413 1.00 0.00 C ATOM 323 NE ARG A 25 5.868 -9.117 -7.951 1.00 0.00 N ATOM 324 CZ ARG A 25 7.155 -9.163 -7.622 1.00 0.00 C ATOM 325 NH1 ARG A 25 7.588 -10.082 -6.803 1.00 0.00 N ATOM 326 NH2 ARG A 25 7.988 -8.285 -8.114 1.00 0.00 N ATOM 0 H ARG A 25 2.267 -9.815 -12.082 1.00 0.00 H new ATOM 0 HA ARG A 25 1.524 -10.913 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.015 -11.132 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.125 -9.421 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.224 -8.813 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.794 -10.475 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.876 -9.997 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.248 -11.096 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 25 5.540 -8.394 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.939 -10.766 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.576 -10.116 -6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.651 -7.563 -8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.975 -8.321 -7.861 1.00 0.00 H new ATOM 340 N TRP A 26 0.619 -8.700 -8.831 1.00 0.00 N ATOM 341 CA TRP A 26 -0.062 -7.440 -8.551 1.00 0.00 C ATOM 342 C TRP A 26 -0.130 -7.213 -7.052 1.00 0.00 C ATOM 343 O TRP A 26 -0.066 -8.162 -6.269 1.00 0.00 O ATOM 344 CB TRP A 26 -1.475 -7.462 -9.138 1.00 0.00 C ATOM 345 CG TRP A 26 -2.272 -8.552 -8.499 1.00 0.00 C ATOM 346 CD1 TRP A 26 -2.953 -8.442 -7.336 1.00 0.00 C ATOM 347 CD2 TRP A 26 -2.493 -9.912 -8.973 1.00 0.00 C ATOM 348 NE1 TRP A 26 -3.570 -9.650 -7.061 1.00 0.00 N ATOM 349 CE2 TRP A 26 -3.315 -10.587 -8.042 1.00 0.00 C ATOM 350 CE3 TRP A 26 -2.057 -10.619 -10.109 1.00 0.00 C ATOM 351 CZ2 TRP A 26 -3.695 -11.918 -8.231 1.00 0.00 C ATOM 352 CZ3 TRP A 26 -2.435 -11.959 -10.301 1.00 0.00 C ATOM 353 CH2 TRP A 26 -3.253 -12.606 -9.364 1.00 0.00 C ATOM 0 H TRP A 26 0.389 -9.457 -8.187 1.00 0.00 H new ATOM 0 HA TRP A 26 0.498 -6.626 -9.012 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -1.961 -6.500 -8.975 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.428 -7.617 -10.216 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.007 -7.555 -6.721 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -4.142 -9.826 -6.235 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.428 -10.129 -10.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.326 -12.412 -7.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -2.093 -12.493 -11.175 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.541 -13.635 -9.518 1.00 0.00 H new ATOM 364 N THR A 27 -0.250 -5.950 -6.650 1.00 0.00 N ATOM 365 CA THR A 27 -0.314 -5.604 -5.232 1.00 0.00 C ATOM 366 C THR A 27 -1.717 -5.112 -4.853 1.00 0.00 C ATOM 367 O THR A 27 -2.061 -3.958 -5.117 1.00 0.00 O ATOM 368 CB THR A 27 0.691 -4.501 -4.916 1.00 0.00 C ATOM 369 OG1 THR A 27 1.889 -4.738 -5.646 1.00 0.00 O ATOM 370 CG2 THR A 27 0.995 -4.508 -3.415 1.00 0.00 C ATOM 0 H THR A 27 -0.305 -5.152 -7.283 1.00 0.00 H new ATOM 0 HA THR A 27 -0.079 -6.500 -4.658 1.00 0.00 H new ATOM 0 HB THR A 27 0.278 -3.532 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.538 -4.031 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.713 -3.721 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.075 -4.334 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.413 -5.474 -3.133 1.00 0.00 H new ATOM 378 N PRO A 28 -2.521 -5.936 -4.232 1.00 0.00 N ATOM 379 CA PRO A 28 -3.890 -5.534 -3.805 1.00 0.00 C ATOM 380 C PRO A 28 -3.883 -4.300 -2.901 1.00 0.00 C ATOM 381 O PRO A 28 -2.921 -4.055 -2.175 1.00 0.00 O ATOM 382 CB PRO A 28 -4.426 -6.772 -3.056 1.00 0.00 C ATOM 383 CG PRO A 28 -3.598 -7.918 -3.546 1.00 0.00 C ATOM 384 CD PRO A 28 -2.233 -7.339 -3.886 1.00 0.00 C ATOM 0 HA PRO A 28 -4.510 -5.248 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.331 -6.651 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.483 -6.932 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.514 -8.692 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.053 -8.381 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.547 -7.410 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.770 -7.869 -4.718 1.00 0.00 H new ATOM 392 N LEU A 29 -4.965 -3.525 -2.959 1.00 0.00 N ATOM 393 CA LEU A 29 -5.085 -2.312 -2.147 1.00 0.00 C ATOM 394 C LEU A 29 -5.666 -2.636 -0.782 1.00 0.00 C ATOM 395 O LEU A 29 -6.636 -3.376 -0.653 1.00 0.00 O ATOM 396 CB LEU A 29 -5.989 -1.296 -2.853 1.00 0.00 C ATOM 397 CG LEU A 29 -5.453 -1.016 -4.260 1.00 0.00 C ATOM 398 CD1 LEU A 29 -6.403 -0.059 -4.988 1.00 0.00 C ATOM 399 CD2 LEU A 29 -4.048 -0.397 -4.160 1.00 0.00 C ATOM 0 H LEU A 29 -5.769 -3.713 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.089 -1.889 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.007 -1.680 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.030 -0.371 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.390 -1.948 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.022 0.140 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.392 -0.512 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.472 0.877 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.666 -0.198 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.101 0.536 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.380 -1.090 -3.649 1.00 0.00 H new ATOM 411 N ASN A 30 -5.054 -2.068 0.238 1.00 0.00 N ATOM 412 CA ASN A 30 -5.501 -2.291 1.596 1.00 0.00 C ATOM 413 C ASN A 30 -7.014 -2.126 1.686 1.00 0.00 C ATOM 414 O ASN A 30 -7.679 -2.800 2.473 1.00 0.00 O ATOM 415 CB ASN A 30 -4.816 -1.293 2.510 1.00 0.00 C ATOM 416 CG ASN A 30 -5.318 -1.469 3.944 1.00 0.00 C ATOM 417 OD1 ASN A 30 -5.932 -0.559 4.504 1.00 0.00 O ATOM 418 ND2 ASN A 30 -5.108 -2.595 4.572 1.00 0.00 N ATOM 0 H ASN A 30 -4.247 -1.450 0.151 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.245 -3.306 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.736 -1.435 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.015 -0.277 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.452 -2.720 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.600 -3.349 4.110 1.00 0.00 H new ATOM 425 N SER A 31 -7.551 -1.229 0.862 1.00 0.00 N ATOM 426 CA SER A 31 -8.990 -0.988 0.839 1.00 0.00 C ATOM 427 C SER A 31 -9.698 -2.032 -0.026 1.00 0.00 C ATOM 428 O SER A 31 -10.830 -2.421 0.259 1.00 0.00 O ATOM 429 CB SER A 31 -9.277 0.408 0.289 1.00 0.00 C ATOM 430 OG SER A 31 -8.761 1.379 1.187 1.00 0.00 O ATOM 0 H SER A 31 -7.015 -0.661 0.206 1.00 0.00 H new ATOM 0 HA SER A 31 -9.366 -1.062 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.821 0.525 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.350 0.548 0.161 1.00 0.00 H new ATOM 0 HG SER A 31 -8.941 2.277 0.837 1.00 0.00 H new ATOM 436 N SER A 32 -9.021 -2.481 -1.084 1.00 0.00 N ATOM 437 CA SER A 32 -9.602 -3.481 -1.982 1.00 0.00 C ATOM 438 C SER A 32 -10.002 -4.729 -1.195 1.00 0.00 C ATOM 439 O SER A 32 -9.224 -5.253 -0.403 1.00 0.00 O ATOM 440 CB SER A 32 -8.590 -3.852 -3.080 1.00 0.00 C ATOM 441 OG SER A 32 -8.639 -2.870 -4.108 1.00 0.00 O ATOM 0 H SER A 32 -8.082 -2.173 -1.338 1.00 0.00 H new ATOM 0 HA SER A 32 -10.493 -3.060 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.585 -3.909 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.822 -4.836 -3.488 1.00 0.00 H new ATOM 0 HG SER A 32 -7.995 -3.099 -4.810 1.00 0.00 H new ATOM 447 N THR A 33 -11.227 -5.177 -1.418 1.00 0.00 N ATOM 448 CA THR A 33 -11.741 -6.355 -0.724 1.00 0.00 C ATOM 449 C THR A 33 -10.791 -7.530 -0.929 1.00 0.00 C ATOM 450 O THR A 33 -10.254 -7.720 -2.020 1.00 0.00 O ATOM 451 CB THR A 33 -13.127 -6.726 -1.252 1.00 0.00 C ATOM 452 OG1 THR A 33 -13.912 -5.554 -1.374 1.00 0.00 O ATOM 453 CG2 THR A 33 -13.809 -7.696 -0.284 1.00 0.00 C ATOM 0 H THR A 33 -11.884 -4.748 -2.070 1.00 0.00 H new ATOM 0 HA THR A 33 -11.817 -6.125 0.339 1.00 0.00 H new ATOM 0 HB THR A 33 -13.025 -7.203 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.122 -5.206 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.796 -7.957 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.206 -8.599 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.911 -7.224 0.693 1.00 0.00 H new ATOM 461 N ILE A 34 -10.574 -8.308 0.129 1.00 0.00 N ATOM 462 CA ILE A 34 -9.669 -9.454 0.051 1.00 0.00 C ATOM 463 C ILE A 34 -10.440 -10.724 -0.281 1.00 0.00 C ATOM 464 O ILE A 34 -10.886 -11.447 0.607 1.00 0.00 O ATOM 465 CB ILE A 34 -8.956 -9.639 1.392 1.00 0.00 C ATOM 466 CG1 ILE A 34 -8.341 -8.307 1.839 1.00 0.00 C ATOM 467 CG2 ILE A 34 -7.855 -10.693 1.250 1.00 0.00 C ATOM 468 CD1 ILE A 34 -7.442 -7.734 0.734 1.00 0.00 C ATOM 0 H ILE A 34 -11.007 -8.169 1.042 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.940 -9.264 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.677 -9.971 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.132 -7.596 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.760 -8.455 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.349 -10.822 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.296 -11.641 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.134 -10.368 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.013 -6.789 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.640 -8.439 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.034 -7.567 -0.166 1.00 0.00 H new ATOM 480 N ILE A 35 -10.589 -10.987 -1.578 1.00 0.00 N ATOM 481 CA ILE A 35 -11.299 -12.176 -2.044 1.00 0.00 C ATOM 482 C ILE A 35 -10.581 -12.789 -3.239 1.00 0.00 C ATOM 483 O ILE A 35 -9.943 -12.085 -4.022 1.00 0.00 O ATOM 484 CB ILE A 35 -12.735 -11.808 -2.422 1.00 0.00 C ATOM 485 CG1 ILE A 35 -12.730 -10.558 -3.319 1.00 0.00 C ATOM 486 CG2 ILE A 35 -13.536 -11.523 -1.151 1.00 0.00 C ATOM 487 CD1 ILE A 35 -14.171 -10.128 -3.640 1.00 0.00 C ATOM 0 H ILE A 35 -10.228 -10.393 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.320 -12.911 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.192 -12.637 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.203 -9.745 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.191 -10.767 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.560 -11.260 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.542 -12.410 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.078 -10.695 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.153 -9.242 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.685 -10.937 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.697 -9.899 -2.713 1.00 0.00 H new ATOM 499 N GLY A 36 -10.683 -14.106 -3.370 1.00 0.00 N ATOM 500 CA GLY A 36 -10.026 -14.796 -4.469 1.00 0.00 C ATOM 501 C GLY A 36 -10.317 -14.109 -5.792 1.00 0.00 C ATOM 502 O GLY A 36 -11.448 -13.709 -6.063 1.00 0.00 O ATOM 0 H GLY A 36 -11.208 -14.710 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.950 -14.821 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.366 -15.831 -4.509 1.00 0.00 H new ATOM 506 N TYR A 37 -9.278 -13.971 -6.613 1.00 0.00 N ATOM 507 CA TYR A 37 -9.410 -13.326 -7.917 1.00 0.00 C ATOM 508 C TYR A 37 -9.399 -14.369 -9.019 1.00 0.00 C ATOM 509 O TYR A 37 -8.951 -15.498 -8.815 1.00 0.00 O ATOM 510 CB TYR A 37 -8.259 -12.346 -8.142 1.00 0.00 C ATOM 511 CG TYR A 37 -8.406 -11.175 -7.200 1.00 0.00 C ATOM 512 CD1 TYR A 37 -9.408 -10.224 -7.424 1.00 0.00 C ATOM 513 CD2 TYR A 37 -7.548 -11.042 -6.101 1.00 0.00 C ATOM 514 CE1 TYR A 37 -9.550 -9.139 -6.552 1.00 0.00 C ATOM 515 CE2 TYR A 37 -7.690 -9.956 -5.229 1.00 0.00 C ATOM 516 CZ TYR A 37 -8.692 -9.005 -5.455 1.00 0.00 C ATOM 517 OH TYR A 37 -8.833 -7.935 -4.595 1.00 0.00 O ATOM 0 H TYR A 37 -8.336 -14.297 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 37 -10.355 -12.784 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.304 -12.844 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.260 -11.998 -9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.072 -10.328 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.777 -11.777 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.322 -8.404 -6.726 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.027 -9.852 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.372 -8.205 -3.823 1.00 0.00 H new ATOM 527 N ARG A 38 -9.904 -13.987 -10.187 1.00 0.00 N ATOM 528 CA ARG A 38 -9.958 -14.896 -11.331 1.00 0.00 C ATOM 529 C ARG A 38 -9.254 -14.290 -12.536 1.00 0.00 C ATOM 530 O ARG A 38 -9.585 -13.187 -12.970 1.00 0.00 O ATOM 531 CB ARG A 38 -11.417 -15.182 -11.694 1.00 0.00 C ATOM 532 CG ARG A 38 -11.482 -16.076 -12.960 1.00 0.00 C ATOM 533 CD ARG A 38 -11.873 -15.237 -14.182 1.00 0.00 C ATOM 534 NE ARG A 38 -13.217 -14.699 -14.008 1.00 0.00 N ATOM 535 CZ ARG A 38 -14.289 -15.442 -14.258 1.00 0.00 C ATOM 536 NH1 ARG A 38 -14.147 -16.677 -14.656 1.00 0.00 N ATOM 537 NH2 ARG A 38 -15.483 -14.940 -14.099 1.00 0.00 N ATOM 0 H ARG A 38 -10.281 -13.057 -10.368 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.453 -15.822 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.917 -15.678 -10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.947 -14.246 -11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.515 -16.550 -13.129 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.207 -16.876 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.161 -14.423 -14.317 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.831 -15.850 -15.083 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.336 -13.737 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.213 -17.070 -14.775 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.970 -17.249 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.593 -13.977 -13.783 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.306 -15.511 -14.291 1.00 0.00 H new ATOM 551 N ILE A 39 -8.283 -15.021 -13.074 1.00 0.00 N ATOM 552 CA ILE A 39 -7.532 -14.555 -14.239 1.00 0.00 C ATOM 553 C ILE A 39 -8.083 -15.201 -15.505 1.00 0.00 C ATOM 554 O ILE A 39 -8.172 -16.423 -15.602 1.00 0.00 O ATOM 555 CB ILE A 39 -6.052 -14.915 -14.068 1.00 0.00 C ATOM 556 CG1 ILE A 39 -5.863 -16.429 -14.280 1.00 0.00 C ATOM 557 CG2 ILE A 39 -5.584 -14.517 -12.657 1.00 0.00 C ATOM 558 CD1 ILE A 39 -4.535 -16.880 -13.682 1.00 0.00 C ATOM 0 H ILE A 39 -7.997 -15.936 -12.725 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.632 -13.473 -14.325 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.457 -14.375 -14.805 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.684 -16.975 -13.815 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.889 -16.661 -15.345 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.531 -14.774 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.714 -13.443 -12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.175 -15.052 -11.913 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.411 -17.952 -13.837 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.718 -16.346 -14.167 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.525 -16.665 -12.614 1.00 0.00 H new ATOM 570 N THR A 40 -8.461 -14.372 -16.468 1.00 0.00 N ATOM 571 CA THR A 40 -9.016 -14.868 -17.729 1.00 0.00 C ATOM 572 C THR A 40 -7.999 -14.719 -18.855 1.00 0.00 C ATOM 573 O THR A 40 -7.353 -13.680 -18.987 1.00 0.00 O ATOM 574 CB THR A 40 -10.280 -14.084 -18.084 1.00 0.00 C ATOM 575 OG1 THR A 40 -11.132 -14.023 -16.949 1.00 0.00 O ATOM 576 CG2 THR A 40 -11.011 -14.787 -19.230 1.00 0.00 C ATOM 0 H THR A 40 -8.396 -13.356 -16.405 1.00 0.00 H new ATOM 0 HA THR A 40 -9.260 -15.923 -17.607 1.00 0.00 H new ATOM 0 HB THR A 40 -10.007 -13.074 -18.391 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.942 -13.519 -17.175 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.912 -14.229 -19.484 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.358 -14.837 -20.101 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.284 -15.796 -18.922 1.00 0.00 H new ATOM 584 N VAL A 41 -7.865 -15.766 -19.666 1.00 0.00 N ATOM 585 CA VAL A 41 -6.927 -15.759 -20.790 1.00 0.00 C ATOM 586 C VAL A 41 -7.605 -16.298 -22.043 1.00 0.00 C ATOM 587 O VAL A 41 -8.399 -17.237 -21.976 1.00 0.00 O ATOM 588 CB VAL A 41 -5.693 -16.607 -20.458 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.137 -17.955 -19.880 1.00 0.00 C ATOM 590 CG2 VAL A 41 -4.865 -16.833 -21.733 1.00 0.00 C ATOM 0 H VAL A 41 -8.394 -16.632 -19.567 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.610 -14.732 -20.972 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.081 -16.085 -19.722 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.259 -18.557 -19.644 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.717 -17.788 -18.972 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.751 -18.480 -20.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.988 -17.436 -21.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.473 -17.352 -22.474 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.546 -15.871 -22.135 1.00 0.00 H new ATOM 600 N VAL A 42 -7.285 -15.701 -23.199 1.00 0.00 N ATOM 601 CA VAL A 42 -7.864 -16.141 -24.465 1.00 0.00 C ATOM 602 C VAL A 42 -6.772 -16.294 -25.513 1.00 0.00 C ATOM 603 O VAL A 42 -5.948 -15.398 -25.699 1.00 0.00 O ATOM 604 CB VAL A 42 -8.901 -15.111 -24.938 1.00 0.00 C ATOM 605 CG1 VAL A 42 -9.268 -15.353 -26.409 1.00 0.00 C ATOM 606 CG2 VAL A 42 -10.160 -15.230 -24.073 1.00 0.00 C ATOM 0 H VAL A 42 -6.634 -14.920 -23.279 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.351 -17.106 -24.321 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.476 -14.112 -24.844 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.004 -14.614 -26.727 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.374 -15.264 -27.026 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.687 -16.353 -26.520 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.899 -14.501 -24.404 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.573 -16.234 -24.168 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.905 -15.039 -23.031 1.00 0.00 H new ATOM 616 N ALA A 43 -6.782 -17.424 -26.208 1.00 0.00 N ATOM 617 CA ALA A 43 -5.798 -17.682 -27.254 1.00 0.00 C ATOM 618 C ALA A 43 -6.414 -17.374 -28.615 1.00 0.00 C ATOM 619 O ALA A 43 -7.593 -17.648 -28.845 1.00 0.00 O ATOM 620 CB ALA A 43 -5.370 -19.149 -27.205 1.00 0.00 C ATOM 0 H ALA A 43 -7.458 -18.175 -26.068 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.926 -17.047 -27.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.635 -19.340 -27.987 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.930 -19.367 -26.232 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.240 -19.787 -27.361 1.00 0.00 H new ATOM 626 N ALA A 44 -5.618 -16.814 -29.518 1.00 0.00 N ATOM 627 CA ALA A 44 -6.105 -16.490 -30.857 1.00 0.00 C ATOM 628 C ALA A 44 -5.654 -17.542 -31.873 1.00 0.00 C ATOM 629 O ALA A 44 -6.248 -17.683 -32.943 1.00 0.00 O ATOM 630 CB ALA A 44 -5.591 -15.116 -31.275 1.00 0.00 C ATOM 0 H ALA A 44 -4.640 -16.576 -29.352 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.195 -16.481 -30.833 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.957 -14.879 -32.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.947 -14.364 -30.570 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.501 -15.121 -31.280 1.00 0.00 H new ATOM 636 N GLY A 45 -4.593 -18.277 -31.533 1.00 0.00 N ATOM 637 CA GLY A 45 -4.057 -19.313 -32.419 1.00 0.00 C ATOM 638 C GLY A 45 -4.642 -20.676 -32.079 1.00 0.00 C ATOM 639 O GLY A 45 -3.986 -21.706 -32.250 1.00 0.00 O ATOM 0 H GLY A 45 -4.089 -18.174 -30.652 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.284 -19.064 -33.455 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.971 -19.347 -32.330 1.00 0.00 H new ATOM 643 N GLU A 46 -5.878 -20.681 -31.584 1.00 0.00 N ATOM 644 CA GLU A 46 -6.540 -21.929 -31.212 1.00 0.00 C ATOM 645 C GLU A 46 -8.050 -21.802 -31.366 1.00 0.00 C ATOM 646 O GLU A 46 -8.612 -20.714 -31.229 1.00 0.00 O ATOM 647 CB GLU A 46 -6.204 -22.301 -29.765 1.00 0.00 C ATOM 648 CG GLU A 46 -4.687 -22.461 -29.606 1.00 0.00 C ATOM 649 CD GLU A 46 -4.360 -23.013 -28.224 1.00 0.00 C ATOM 650 OE1 GLU A 46 -5.285 -23.281 -27.480 1.00 0.00 O ATOM 651 OE2 GLU A 46 -3.184 -23.166 -27.933 1.00 0.00 O ATOM 0 H GLU A 46 -6.438 -19.842 -31.432 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.180 -22.714 -31.877 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.570 -21.529 -29.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.707 -23.229 -29.493 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.302 -23.131 -30.374 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.195 -21.499 -29.747 1.00 0.00 H new ATOM 658 N GLY A 47 -8.700 -22.922 -31.653 1.00 0.00 N ATOM 659 CA GLY A 47 -10.147 -22.934 -31.823 1.00 0.00 C ATOM 660 C GLY A 47 -10.843 -22.729 -30.488 1.00 0.00 C ATOM 661 O GLY A 47 -12.030 -22.404 -30.442 1.00 0.00 O ATOM 0 H GLY A 47 -8.251 -23.830 -31.773 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.444 -22.149 -32.518 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.460 -23.882 -32.261 1.00 0.00 H new ATOM 665 N ILE A 48 -10.098 -22.916 -29.394 1.00 0.00 N ATOM 666 CA ILE A 48 -10.663 -22.738 -28.057 1.00 0.00 C ATOM 667 C ILE A 48 -9.671 -21.988 -27.151 1.00 0.00 C ATOM 668 O ILE A 48 -8.473 -22.272 -27.167 1.00 0.00 O ATOM 669 CB ILE A 48 -11.033 -24.124 -27.444 1.00 0.00 C ATOM 670 CG1 ILE A 48 -12.551 -24.337 -27.523 1.00 0.00 C ATOM 671 CG2 ILE A 48 -10.604 -24.239 -25.964 1.00 0.00 C ATOM 672 CD1 ILE A 48 -12.876 -25.823 -27.337 1.00 0.00 C ATOM 0 H ILE A 48 -9.115 -23.187 -29.408 1.00 0.00 H new ATOM 0 HA ILE A 48 -11.571 -22.140 -28.134 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.501 -24.881 -28.020 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.051 -23.747 -26.755 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.927 -23.991 -28.486 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -10.882 -25.220 -25.580 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.524 -24.112 -25.887 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.103 -23.466 -25.379 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.955 -25.969 -27.394 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.389 -26.403 -28.121 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.516 -26.155 -26.363 1.00 0.00 H new ATOM 684 N PRO A 49 -10.154 -21.074 -26.339 1.00 0.00 N ATOM 685 CA PRO A 49 -9.295 -20.319 -25.384 1.00 0.00 C ATOM 686 C PRO A 49 -8.857 -21.174 -24.197 1.00 0.00 C ATOM 687 O PRO A 49 -9.470 -22.195 -23.891 1.00 0.00 O ATOM 688 CB PRO A 49 -10.197 -19.163 -24.931 1.00 0.00 C ATOM 689 CG PRO A 49 -11.592 -19.683 -25.065 1.00 0.00 C ATOM 690 CD PRO A 49 -11.569 -20.649 -26.243 1.00 0.00 C ATOM 0 HA PRO A 49 -8.364 -19.986 -25.842 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.981 -18.874 -23.902 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.045 -18.278 -25.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.909 -20.188 -24.153 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.296 -18.870 -25.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.229 -21.499 -26.073 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.902 -20.165 -27.161 1.00 0.00 H new ATOM 698 N ILE A 50 -7.797 -20.733 -23.527 1.00 0.00 N ATOM 699 CA ILE A 50 -7.288 -21.448 -22.368 1.00 0.00 C ATOM 700 C ILE A 50 -8.244 -21.290 -21.186 1.00 0.00 C ATOM 701 O ILE A 50 -8.940 -20.282 -21.069 1.00 0.00 O ATOM 702 CB ILE A 50 -5.898 -20.931 -21.982 1.00 0.00 C ATOM 703 CG1 ILE A 50 -4.894 -21.259 -23.096 1.00 0.00 C ATOM 704 CG2 ILE A 50 -5.450 -21.592 -20.671 1.00 0.00 C ATOM 705 CD1 ILE A 50 -3.563 -20.570 -22.803 1.00 0.00 C ATOM 0 H ILE A 50 -7.278 -19.888 -23.767 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.210 -22.504 -22.626 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.941 -19.850 -21.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.750 -22.337 -23.164 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.283 -20.928 -24.059 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.461 -21.224 -20.397 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.160 -21.349 -19.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.411 -22.673 -20.804 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.851 -20.803 -23.594 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.714 -19.491 -22.757 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.173 -20.923 -21.848 1.00 0.00 H new ATOM 717 N PHE A 51 -8.274 -22.294 -20.315 1.00 0.00 N ATOM 718 CA PHE A 51 -9.148 -22.251 -19.148 1.00 0.00 C ATOM 719 C PHE A 51 -8.616 -21.264 -18.110 1.00 0.00 C ATOM 720 O PHE A 51 -7.410 -21.173 -17.885 1.00 0.00 O ATOM 721 CB PHE A 51 -9.248 -23.643 -18.518 1.00 0.00 C ATOM 722 CG PHE A 51 -10.036 -24.553 -19.430 1.00 0.00 C ATOM 723 CD1 PHE A 51 -11.436 -24.546 -19.390 1.00 0.00 C ATOM 724 CD2 PHE A 51 -9.366 -25.409 -20.314 1.00 0.00 C ATOM 725 CE1 PHE A 51 -12.166 -25.392 -20.234 1.00 0.00 C ATOM 726 CE2 PHE A 51 -10.096 -26.254 -21.159 1.00 0.00 C ATOM 727 CZ PHE A 51 -11.496 -26.245 -21.119 1.00 0.00 C ATOM 0 H PHE A 51 -7.709 -23.140 -20.394 1.00 0.00 H new ATOM 0 HA PHE A 51 -10.135 -21.923 -19.473 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.251 -24.051 -18.352 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.732 -23.579 -17.544 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -11.953 -23.888 -18.708 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -8.286 -25.417 -20.344 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -13.246 -25.386 -20.202 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.579 -26.913 -21.842 1.00 0.00 H new ATOM 0 HZ PHE A 51 -12.059 -26.896 -21.771 1.00 0.00 H new ATOM 737 N GLU A 52 -9.530 -20.534 -17.482 1.00 0.00 N ATOM 738 CA GLU A 52 -9.167 -19.558 -16.460 1.00 0.00 C ATOM 739 C GLU A 52 -8.634 -20.252 -15.224 1.00 0.00 C ATOM 740 O GLU A 52 -8.514 -21.477 -15.187 1.00 0.00 O ATOM 741 CB GLU A 52 -10.391 -18.694 -16.105 1.00 0.00 C ATOM 742 CG GLU A 52 -11.333 -19.465 -15.170 1.00 0.00 C ATOM 743 CD GLU A 52 -11.609 -20.852 -15.744 1.00 0.00 C ATOM 744 OE1 GLU A 52 -11.999 -20.928 -16.898 1.00 0.00 O ATOM 745 OE2 GLU A 52 -11.415 -21.819 -15.024 1.00 0.00 O ATOM 0 H GLU A 52 -10.532 -20.599 -17.663 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.380 -18.914 -16.854 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.066 -17.771 -15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.921 -18.411 -17.014 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.886 -19.553 -14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.268 -18.918 -15.049 1.00 0.00 H new ATOM 752 N ASP A 53 -8.325 -19.460 -14.203 1.00 0.00 N ATOM 753 CA ASP A 53 -7.817 -20.010 -12.957 1.00 0.00 C ATOM 754 C ASP A 53 -8.232 -19.137 -11.776 1.00 0.00 C ATOM 755 O ASP A 53 -8.276 -17.912 -11.885 1.00 0.00 O ATOM 756 CB ASP A 53 -6.289 -20.112 -13.026 1.00 0.00 C ATOM 757 CG ASP A 53 -5.795 -21.254 -12.142 1.00 0.00 C ATOM 758 OD1 ASP A 53 -5.835 -21.099 -10.932 1.00 0.00 O ATOM 759 OD2 ASP A 53 -5.384 -22.263 -12.687 1.00 0.00 O ATOM 0 H ASP A 53 -8.417 -18.444 -14.215 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.239 -21.004 -12.813 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.975 -20.278 -14.056 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.840 -19.173 -12.703 1.00 0.00 H new ATOM 764 N PHE A 54 -8.533 -19.774 -10.646 1.00 0.00 N ATOM 765 CA PHE A 54 -8.943 -19.052 -9.438 1.00 0.00 C ATOM 766 C PHE A 54 -7.868 -19.162 -8.364 1.00 0.00 C ATOM 767 O PHE A 54 -7.487 -20.263 -7.966 1.00 0.00 O ATOM 768 CB PHE A 54 -10.250 -19.634 -8.903 1.00 0.00 C ATOM 769 CG PHE A 54 -11.358 -19.372 -9.893 1.00 0.00 C ATOM 770 CD1 PHE A 54 -11.567 -20.261 -10.952 1.00 0.00 C ATOM 771 CD2 PHE A 54 -12.172 -18.243 -9.752 1.00 0.00 C ATOM 772 CE1 PHE A 54 -12.592 -20.021 -11.875 1.00 0.00 C ATOM 773 CE2 PHE A 54 -13.199 -18.003 -10.673 1.00 0.00 C ATOM 774 CZ PHE A 54 -13.408 -18.893 -11.735 1.00 0.00 C ATOM 0 H PHE A 54 -8.501 -20.788 -10.539 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.087 -18.002 -9.694 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.142 -20.706 -8.736 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.494 -19.185 -7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.938 -21.132 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.008 -17.557 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.753 -20.706 -12.694 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.829 -17.133 -10.565 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.200 -18.708 -12.446 1.00 0.00 H new ATOM 784 N VAL A 55 -7.379 -18.013 -7.899 1.00 0.00 N ATOM 785 CA VAL A 55 -6.340 -17.978 -6.867 1.00 0.00 C ATOM 786 C VAL A 55 -6.751 -17.043 -5.734 1.00 0.00 C ATOM 787 O VAL A 55 -7.304 -15.969 -5.971 1.00 0.00 O ATOM 788 CB VAL A 55 -5.008 -17.513 -7.481 1.00 0.00 C ATOM 789 CG1 VAL A 55 -5.018 -15.997 -7.725 1.00 0.00 C ATOM 790 CG2 VAL A 55 -3.865 -17.862 -6.530 1.00 0.00 C ATOM 0 H VAL A 55 -7.684 -17.094 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.213 -18.981 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.871 -18.019 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.066 -15.692 -8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.827 -15.744 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.168 -15.477 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.919 -17.534 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.021 -17.361 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.838 -18.940 -6.374 1.00 0.00 H new ATOM 800 N ASP A 56 -6.481 -17.463 -4.504 1.00 0.00 N ATOM 801 CA ASP A 56 -6.826 -16.658 -3.338 1.00 0.00 C ATOM 802 C ASP A 56 -6.212 -15.265 -3.450 1.00 0.00 C ATOM 803 O ASP A 56 -5.241 -15.061 -4.181 1.00 0.00 O ATOM 804 CB ASP A 56 -6.324 -17.341 -2.066 1.00 0.00 C ATOM 805 CG ASP A 56 -7.197 -18.548 -1.738 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.218 -18.711 -2.383 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.829 -19.292 -0.844 1.00 0.00 O ATOM 0 H ASP A 56 -6.027 -18.351 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.911 -16.561 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.289 -17.656 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.339 -16.635 -1.235 1.00 0.00 H new ATOM 812 N SER A 57 -6.786 -14.311 -2.727 1.00 0.00 N ATOM 813 CA SER A 57 -6.291 -12.938 -2.747 1.00 0.00 C ATOM 814 C SER A 57 -4.898 -12.859 -2.130 1.00 0.00 C ATOM 815 O SER A 57 -4.049 -12.091 -2.585 1.00 0.00 O ATOM 816 CB SER A 57 -7.244 -12.024 -1.975 1.00 0.00 C ATOM 817 OG SER A 57 -6.768 -10.687 -2.042 1.00 0.00 O ATOM 0 H SER A 57 -7.592 -14.461 -2.121 1.00 0.00 H new ATOM 0 HA SER A 57 -6.236 -12.610 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.247 -12.087 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.314 -12.346 -0.936 1.00 0.00 H new ATOM 0 HG SER A 57 -7.525 -10.076 -2.164 1.00 0.00 H new ATOM 823 N SER A 58 -4.673 -13.653 -1.088 1.00 0.00 N ATOM 824 CA SER A 58 -3.383 -13.659 -0.410 1.00 0.00 C ATOM 825 C SER A 58 -2.259 -13.848 -1.416 1.00 0.00 C ATOM 826 O SER A 58 -1.166 -13.306 -1.254 1.00 0.00 O ATOM 827 CB SER A 58 -3.340 -14.786 0.625 1.00 0.00 C ATOM 828 OG SER A 58 -4.174 -14.444 1.724 1.00 0.00 O ATOM 0 H SER A 58 -5.362 -14.296 -0.697 1.00 0.00 H new ATOM 0 HA SER A 58 -3.251 -12.702 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.675 -15.721 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.317 -14.944 0.965 1.00 0.00 H new ATOM 0 HG SER A 58 -4.151 -15.164 2.389 1.00 0.00 H new ATOM 834 N VAL A 59 -2.537 -14.614 -2.467 1.00 0.00 N ATOM 835 CA VAL A 59 -1.545 -14.858 -3.509 1.00 0.00 C ATOM 836 C VAL A 59 -1.684 -13.820 -4.623 1.00 0.00 C ATOM 837 O VAL A 59 -2.087 -14.140 -5.740 1.00 0.00 O ATOM 838 CB VAL A 59 -1.720 -16.272 -4.083 1.00 0.00 C ATOM 839 CG1 VAL A 59 -0.394 -16.772 -4.674 1.00 0.00 C ATOM 840 CG2 VAL A 59 -2.182 -17.221 -2.976 1.00 0.00 C ATOM 0 H VAL A 59 -3.435 -15.074 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.550 -14.774 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.470 -16.244 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.531 -17.775 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.075 -16.101 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.366 -16.796 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.306 -18.224 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.437 -17.243 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.133 -16.874 -2.573 1.00 0.00 H new ATOM 850 N GLY A 60 -1.348 -12.574 -4.314 1.00 0.00 N ATOM 851 CA GLY A 60 -1.443 -11.504 -5.303 1.00 0.00 C ATOM 852 C GLY A 60 -0.689 -11.872 -6.580 1.00 0.00 C ATOM 853 O GLY A 60 -0.687 -11.115 -7.546 1.00 0.00 O ATOM 0 H GLY A 60 -1.011 -12.280 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.490 -11.312 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.035 -10.583 -4.888 1.00 0.00 H new ATOM 857 N TYR A 61 -0.040 -13.040 -6.574 1.00 0.00 N ATOM 858 CA TYR A 61 0.725 -13.498 -7.735 1.00 0.00 C ATOM 859 C TYR A 61 0.224 -14.851 -8.219 1.00 0.00 C ATOM 860 O TYR A 61 -0.293 -15.651 -7.443 1.00 0.00 O ATOM 861 CB TYR A 61 2.208 -13.613 -7.365 1.00 0.00 C ATOM 862 CG TYR A 61 2.392 -14.725 -6.361 1.00 0.00 C ATOM 863 CD1 TYR A 61 2.529 -16.045 -6.802 1.00 0.00 C ATOM 864 CD2 TYR A 61 2.422 -14.438 -4.992 1.00 0.00 C ATOM 865 CE1 TYR A 61 2.697 -17.081 -5.877 1.00 0.00 C ATOM 866 CE2 TYR A 61 2.591 -15.474 -4.064 1.00 0.00 C ATOM 867 CZ TYR A 61 2.729 -16.794 -4.505 1.00 0.00 C ATOM 868 OH TYR A 61 2.893 -17.815 -3.592 1.00 0.00 O ATOM 0 H TYR A 61 -0.029 -13.682 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 61 0.596 -12.770 -8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.802 -13.812 -8.257 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.564 -12.671 -6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.505 -16.265 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.315 -13.419 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.802 -18.100 -6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.615 -15.253 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 61 2.894 -17.445 -2.684 1.00 0.00 H new ATOM 878 N TYR A 62 0.388 -15.097 -9.514 1.00 0.00 N ATOM 879 CA TYR A 62 -0.040 -16.358 -10.098 1.00 0.00 C ATOM 880 C TYR A 62 0.758 -16.636 -11.366 1.00 0.00 C ATOM 881 O TYR A 62 1.291 -15.717 -11.989 1.00 0.00 O ATOM 882 CB TYR A 62 -1.537 -16.316 -10.420 1.00 0.00 C ATOM 883 CG TYR A 62 -2.026 -17.727 -10.659 1.00 0.00 C ATOM 884 CD1 TYR A 62 -2.175 -18.608 -9.584 1.00 0.00 C ATOM 885 CD2 TYR A 62 -2.325 -18.149 -11.954 1.00 0.00 C ATOM 886 CE1 TYR A 62 -2.627 -19.913 -9.804 1.00 0.00 C ATOM 887 CE2 TYR A 62 -2.777 -19.453 -12.179 1.00 0.00 C ATOM 888 CZ TYR A 62 -2.927 -20.337 -11.102 1.00 0.00 C ATOM 889 OH TYR A 62 -3.366 -21.626 -11.319 1.00 0.00 O ATOM 0 H TYR A 62 0.811 -14.444 -10.173 1.00 0.00 H new ATOM 0 HA TYR A 62 0.139 -17.157 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.087 -15.861 -9.596 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.716 -15.701 -11.302 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.941 -18.280 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.207 -17.468 -12.784 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.744 -20.592 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.010 -19.779 -13.182 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.652 -21.722 -12.251 1.00 0.00 H new ATOM 899 N THR A 63 0.842 -17.911 -11.744 1.00 0.00 N ATOM 900 CA THR A 63 1.587 -18.315 -12.939 1.00 0.00 C ATOM 901 C THR A 63 0.664 -19.005 -13.931 1.00 0.00 C ATOM 902 O THR A 63 -0.148 -19.851 -13.555 1.00 0.00 O ATOM 903 CB THR A 63 2.710 -19.271 -12.548 1.00 0.00 C ATOM 904 OG1 THR A 63 3.566 -18.638 -11.607 1.00 0.00 O ATOM 905 CG2 THR A 63 3.517 -19.649 -13.796 1.00 0.00 C ATOM 0 H THR A 63 0.404 -18.683 -11.241 1.00 0.00 H new ATOM 0 HA THR A 63 2.008 -17.423 -13.404 1.00 0.00 H new ATOM 0 HB THR A 63 2.282 -20.170 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.286 -19.253 -11.355 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.319 -20.332 -13.517 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.862 -20.135 -14.519 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.944 -18.749 -14.240 1.00 0.00 H new ATOM 913 N VAL A 64 0.808 -18.652 -15.204 1.00 0.00 N ATOM 914 CA VAL A 64 0.004 -19.250 -16.267 1.00 0.00 C ATOM 915 C VAL A 64 0.905 -19.680 -17.418 1.00 0.00 C ATOM 916 O VAL A 64 1.469 -18.843 -18.123 1.00 0.00 O ATOM 917 CB VAL A 64 -1.046 -18.238 -16.762 1.00 0.00 C ATOM 918 CG1 VAL A 64 -2.302 -18.327 -15.889 1.00 0.00 C ATOM 919 CG2 VAL A 64 -0.459 -16.825 -16.667 1.00 0.00 C ATOM 0 H VAL A 64 1.476 -17.952 -15.527 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.511 -20.128 -15.876 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.312 -18.462 -17.795 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.042 -17.609 -16.242 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.715 -19.334 -15.948 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.043 -18.101 -14.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.195 -16.101 -17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.199 -16.608 -15.631 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.435 -16.760 -17.287 1.00 0.00 H new ATOM 929 N THR A 65 1.035 -20.992 -17.605 1.00 0.00 N ATOM 930 CA THR A 65 1.874 -21.531 -18.677 1.00 0.00 C ATOM 931 C THR A 65 1.056 -22.423 -19.601 1.00 0.00 C ATOM 932 O THR A 65 -0.054 -22.834 -19.264 1.00 0.00 O ATOM 933 CB THR A 65 3.017 -22.356 -18.071 1.00 0.00 C ATOM 934 OG1 THR A 65 2.565 -23.681 -17.826 1.00 0.00 O ATOM 935 CG2 THR A 65 3.466 -21.725 -16.749 1.00 0.00 C ATOM 0 H THR A 65 0.574 -21.699 -17.033 1.00 0.00 H new ATOM 0 HA THR A 65 2.277 -20.697 -19.251 1.00 0.00 H new ATOM 0 HB THR A 65 3.855 -22.375 -18.768 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.295 -24.210 -17.440 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.278 -22.314 -16.322 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.812 -20.708 -16.931 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.628 -21.704 -16.053 1.00 0.00 H new ATOM 943 N GLY A 66 1.617 -22.700 -20.778 1.00 0.00 N ATOM 944 CA GLY A 66 0.943 -23.529 -21.779 1.00 0.00 C ATOM 945 C GLY A 66 0.562 -22.721 -23.020 1.00 0.00 C ATOM 946 O GLY A 66 -0.135 -23.218 -23.906 1.00 0.00 O ATOM 0 H GLY A 66 2.537 -22.363 -21.062 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.595 -24.353 -22.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.047 -23.970 -21.343 1.00 0.00 H new ATOM 950 N LEU A 67 1.040 -21.487 -23.084 1.00 0.00 N ATOM 951 CA LEU A 67 0.771 -20.629 -24.233 1.00 0.00 C ATOM 952 C LEU A 67 1.630 -21.070 -25.406 1.00 0.00 C ATOM 953 O LEU A 67 2.426 -22.003 -25.278 1.00 0.00 O ATOM 954 CB LEU A 67 1.085 -19.170 -23.901 1.00 0.00 C ATOM 955 CG LEU A 67 0.618 -18.861 -22.484 1.00 0.00 C ATOM 956 CD1 LEU A 67 0.870 -17.385 -22.180 1.00 0.00 C ATOM 957 CD2 LEU A 67 -0.876 -19.173 -22.356 1.00 0.00 C ATOM 0 H LEU A 67 1.614 -21.057 -22.358 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.285 -20.713 -24.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.156 -18.988 -23.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.589 -18.509 -24.611 1.00 0.00 H new ATOM 0 HG LEU A 67 1.171 -19.475 -21.773 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.537 -17.160 -21.167 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.935 -17.172 -22.267 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.318 -16.768 -22.889 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.208 -18.951 -21.342 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.437 -18.562 -23.063 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.047 -20.228 -22.572 1.00 0.00 H new ATOM 969 N GLU A 68 1.484 -20.393 -26.549 1.00 0.00 N ATOM 970 CA GLU A 68 2.280 -20.732 -27.737 1.00 0.00 C ATOM 971 C GLU A 68 2.980 -19.485 -28.309 1.00 0.00 C ATOM 972 O GLU A 68 2.368 -18.417 -28.399 1.00 0.00 O ATOM 973 CB GLU A 68 1.384 -21.342 -28.810 1.00 0.00 C ATOM 974 CG GLU A 68 0.601 -22.503 -28.203 1.00 0.00 C ATOM 975 CD GLU A 68 1.561 -23.600 -27.757 1.00 0.00 C ATOM 976 OE1 GLU A 68 2.395 -23.990 -28.558 1.00 0.00 O ATOM 977 OE2 GLU A 68 1.451 -24.034 -26.622 1.00 0.00 O ATOM 0 H GLU A 68 0.833 -19.618 -26.679 1.00 0.00 H new ATOM 0 HA GLU A 68 3.040 -21.453 -27.437 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.699 -20.590 -29.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.986 -21.692 -29.649 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.015 -22.153 -27.353 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.104 -22.899 -28.934 1.00 0.00 H new ATOM 984 N PRO A 69 4.236 -19.594 -28.708 1.00 0.00 N ATOM 985 CA PRO A 69 5.002 -18.451 -29.294 1.00 0.00 C ATOM 986 C PRO A 69 4.545 -18.130 -30.708 1.00 0.00 C ATOM 987 O PRO A 69 4.143 -19.012 -31.462 1.00 0.00 O ATOM 988 CB PRO A 69 6.455 -18.939 -29.265 1.00 0.00 C ATOM 989 CG PRO A 69 6.353 -20.421 -29.379 1.00 0.00 C ATOM 990 CD PRO A 69 5.063 -20.815 -28.657 1.00 0.00 C ATOM 0 HA PRO A 69 4.858 -17.523 -28.741 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.032 -18.516 -30.087 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.954 -18.645 -28.342 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.325 -20.730 -30.424 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.217 -20.907 -28.926 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.569 -21.652 -29.151 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.259 -21.122 -27.629 1.00 0.00 H new ATOM 998 N GLY A 70 4.638 -16.862 -31.064 1.00 0.00 N ATOM 999 CA GLY A 70 4.252 -16.421 -32.390 1.00 0.00 C ATOM 1000 C GLY A 70 2.734 -16.366 -32.539 1.00 0.00 C ATOM 1001 O GLY A 70 2.214 -16.086 -33.621 1.00 0.00 O ATOM 0 H GLY A 70 4.978 -16.120 -30.453 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.674 -15.435 -32.584 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.668 -17.098 -33.136 1.00 0.00 H new ATOM 1005 N ILE A 71 2.027 -16.642 -31.445 1.00 0.00 N ATOM 1006 CA ILE A 71 0.560 -16.635 -31.444 1.00 0.00 C ATOM 1007 C ILE A 71 0.057 -15.483 -30.591 1.00 0.00 C ATOM 1008 O ILE A 71 0.614 -15.171 -29.539 1.00 0.00 O ATOM 1009 CB ILE A 71 0.030 -17.980 -30.887 1.00 0.00 C ATOM 1010 CG1 ILE A 71 0.101 -19.084 -31.961 1.00 0.00 C ATOM 1011 CG2 ILE A 71 -1.433 -17.839 -30.434 1.00 0.00 C ATOM 1012 CD1 ILE A 71 1.538 -19.589 -32.111 1.00 0.00 C ATOM 0 H ILE A 71 2.445 -16.874 -30.544 1.00 0.00 H new ATOM 0 HA ILE A 71 0.198 -16.508 -32.464 1.00 0.00 H new ATOM 0 HB ILE A 71 0.658 -18.252 -30.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.555 -19.910 -31.687 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.257 -18.696 -32.915 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.787 -18.794 -30.046 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.501 -17.082 -29.653 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.049 -17.541 -31.282 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.572 -20.368 -32.873 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.185 -18.763 -32.407 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.882 -19.996 -31.160 1.00 0.00 H new ATOM 1024 N ASP A 72 -1.008 -14.858 -31.063 1.00 0.00 N ATOM 1025 CA ASP A 72 -1.607 -13.741 -30.361 1.00 0.00 C ATOM 1026 C ASP A 72 -2.529 -14.235 -29.254 1.00 0.00 C ATOM 1027 O ASP A 72 -3.576 -14.817 -29.513 1.00 0.00 O ATOM 1028 CB ASP A 72 -2.398 -12.893 -31.355 1.00 0.00 C ATOM 1029 CG ASP A 72 -3.260 -11.862 -30.623 1.00 0.00 C ATOM 1030 OD1 ASP A 72 -4.128 -12.270 -29.868 1.00 0.00 O ATOM 1031 OD2 ASP A 72 -3.031 -10.680 -30.819 1.00 0.00 O ATOM 0 H ASP A 72 -1.476 -15.108 -31.934 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.818 -13.141 -29.907 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.712 -12.385 -32.033 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.032 -13.536 -31.965 1.00 0.00 H new ATOM 1036 N TYR A 73 -2.127 -14.003 -28.013 1.00 0.00 N ATOM 1037 CA TYR A 73 -2.924 -14.423 -26.864 1.00 0.00 C ATOM 1038 C TYR A 73 -3.600 -13.227 -26.218 1.00 0.00 C ATOM 1039 O TYR A 73 -2.941 -12.305 -25.770 1.00 0.00 O ATOM 1040 CB TYR A 73 -2.011 -15.108 -25.825 1.00 0.00 C ATOM 1041 CG TYR A 73 -1.914 -16.586 -26.100 1.00 0.00 C ATOM 1042 CD1 TYR A 73 -0.977 -17.070 -27.009 1.00 0.00 C ATOM 1043 CD2 TYR A 73 -2.771 -17.469 -25.439 1.00 0.00 C ATOM 1044 CE1 TYR A 73 -0.898 -18.444 -27.264 1.00 0.00 C ATOM 1045 CE2 TYR A 73 -2.688 -18.837 -25.694 1.00 0.00 C ATOM 1046 CZ TYR A 73 -1.755 -19.325 -26.605 1.00 0.00 C ATOM 1047 OH TYR A 73 -1.685 -20.676 -26.861 1.00 0.00 O ATOM 0 H TYR A 73 -1.257 -13.528 -27.774 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.688 -15.120 -27.208 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.017 -14.661 -25.854 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.405 -14.944 -24.822 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.312 -16.387 -27.516 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.496 -17.093 -24.732 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.174 -18.822 -27.971 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.350 -19.521 -25.183 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.542 -20.985 -27.223 1.00 0.00 H new ATOM 1057 N ASP A 74 -4.922 -13.263 -26.193 1.00 0.00 N ATOM 1058 CA ASP A 74 -5.709 -12.189 -25.603 1.00 0.00 C ATOM 1059 C ASP A 74 -5.925 -12.477 -24.121 1.00 0.00 C ATOM 1060 O ASP A 74 -6.509 -13.489 -23.762 1.00 0.00 O ATOM 1061 CB ASP A 74 -7.057 -12.089 -26.325 1.00 0.00 C ATOM 1062 CG ASP A 74 -6.944 -11.190 -27.553 1.00 0.00 C ATOM 1063 OD1 ASP A 74 -6.574 -10.037 -27.386 1.00 0.00 O ATOM 1064 OD2 ASP A 74 -7.231 -11.664 -28.638 1.00 0.00 O ATOM 0 H ASP A 74 -5.477 -14.028 -26.576 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.180 -11.242 -25.708 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.390 -13.083 -26.625 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.811 -11.692 -25.645 1.00 0.00 H new ATOM 1069 N ILE A 75 -5.432 -11.585 -23.269 1.00 0.00 N ATOM 1070 CA ILE A 75 -5.555 -11.755 -21.817 1.00 0.00 C ATOM 1071 C ILE A 75 -6.418 -10.651 -21.232 1.00 0.00 C ATOM 1072 O ILE A 75 -6.644 -9.619 -21.864 1.00 0.00 O ATOM 1073 CB ILE A 75 -4.150 -11.762 -21.160 1.00 0.00 C ATOM 1074 CG1 ILE A 75 -3.171 -10.955 -22.040 1.00 0.00 C ATOM 1075 CG2 ILE A 75 -3.642 -13.210 -21.006 1.00 0.00 C ATOM 1076 CD1 ILE A 75 -2.596 -11.839 -23.153 1.00 0.00 C ATOM 0 H ILE A 75 -4.943 -10.736 -23.553 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.036 -12.711 -21.611 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.214 -11.307 -20.172 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.686 -10.099 -22.477 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.361 -10.560 -21.426 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.655 -13.202 -20.544 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.332 -13.773 -20.378 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.579 -13.680 -21.988 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.908 -11.254 -23.763 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.063 -12.680 -22.710 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.408 -12.212 -23.777 1.00 0.00 H new ATOM 1088 N SER A 76 -6.877 -10.873 -20.008 1.00 0.00 N ATOM 1089 CA SER A 76 -7.696 -9.887 -19.321 1.00 0.00 C ATOM 1090 C SER A 76 -7.603 -10.068 -17.812 1.00 0.00 C ATOM 1091 O SER A 76 -7.936 -11.130 -17.288 1.00 0.00 O ATOM 1092 CB SER A 76 -9.147 -10.016 -19.774 1.00 0.00 C ATOM 1093 OG SER A 76 -9.895 -8.932 -19.252 1.00 0.00 O ATOM 0 H SER A 76 -6.697 -11.723 -19.474 1.00 0.00 H new ATOM 0 HA SER A 76 -7.327 -8.892 -19.571 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.202 -10.021 -20.863 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.566 -10.962 -19.430 1.00 0.00 H new ATOM 0 HG SER A 76 -10.831 -9.018 -19.528 1.00 0.00 H new ATOM 1099 N VAL A 77 -7.166 -9.030 -17.108 1.00 0.00 N ATOM 1100 CA VAL A 77 -7.055 -9.101 -15.649 1.00 0.00 C ATOM 1101 C VAL A 77 -8.239 -8.389 -15.003 1.00 0.00 C ATOM 1102 O VAL A 77 -8.264 -7.161 -14.914 1.00 0.00 O ATOM 1103 CB VAL A 77 -5.758 -8.438 -15.193 1.00 0.00 C ATOM 1104 CG1 VAL A 77 -5.466 -8.822 -13.741 1.00 0.00 C ATOM 1105 CG2 VAL A 77 -4.609 -8.899 -16.090 1.00 0.00 C ATOM 0 H VAL A 77 -6.885 -8.138 -17.514 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.052 -10.148 -15.347 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.860 -7.355 -15.263 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.539 -8.347 -13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.286 -8.488 -13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.365 -9.905 -13.664 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.682 -8.426 -15.766 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.507 -9.982 -16.023 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.818 -8.618 -17.122 1.00 0.00 H new ATOM 1115 N ILE A 78 -9.217 -9.169 -14.549 1.00 0.00 N ATOM 1116 CA ILE A 78 -10.405 -8.609 -13.904 1.00 0.00 C ATOM 1117 C ILE A 78 -10.200 -8.531 -12.399 1.00 0.00 C ATOM 1118 O ILE A 78 -9.750 -9.491 -11.774 1.00 0.00 O ATOM 1119 CB ILE A 78 -11.632 -9.474 -14.209 1.00 0.00 C ATOM 1120 CG1 ILE A 78 -11.931 -9.419 -15.710 1.00 0.00 C ATOM 1121 CG2 ILE A 78 -12.840 -8.948 -13.430 1.00 0.00 C ATOM 1122 CD1 ILE A 78 -12.997 -10.457 -16.057 1.00 0.00 C ATOM 0 H ILE A 78 -9.212 -10.187 -14.615 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.568 -7.605 -14.296 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.432 -10.504 -13.912 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.275 -8.422 -15.986 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.022 -9.612 -16.280 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -13.711 -9.565 -13.649 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.628 -8.985 -12.361 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.042 -7.918 -13.724 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.209 -10.417 -17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.635 -11.451 -15.796 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.908 -10.244 -15.498 1.00 0.00 H new ATOM 1134 N THR A 79 -10.543 -7.385 -11.817 1.00 0.00 N ATOM 1135 CA THR A 79 -10.404 -7.186 -10.374 1.00 0.00 C ATOM 1136 C THR A 79 -11.779 -7.082 -9.735 1.00 0.00 C ATOM 1137 O THR A 79 -12.480 -6.082 -9.893 1.00 0.00 O ATOM 1138 CB THR A 79 -9.622 -5.900 -10.093 1.00 0.00 C ATOM 1139 OG1 THR A 79 -9.970 -5.405 -8.807 1.00 0.00 O ATOM 1140 CG2 THR A 79 -9.974 -4.859 -11.152 1.00 0.00 C ATOM 0 H THR A 79 -10.919 -6.581 -12.319 1.00 0.00 H new ATOM 0 HA THR A 79 -9.866 -8.036 -9.954 1.00 0.00 H new ATOM 0 HB THR A 79 -8.552 -6.107 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.468 -4.583 -8.626 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.420 -3.940 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.710 -5.240 -12.139 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.044 -4.652 -11.117 1.00 0.00 H new ATOM 1148 N LEU A 80 -12.159 -8.128 -9.013 1.00 0.00 N ATOM 1149 CA LEU A 80 -13.458 -8.163 -8.340 1.00 0.00 C ATOM 1150 C LEU A 80 -13.290 -7.925 -6.848 1.00 0.00 C ATOM 1151 O LEU A 80 -12.684 -8.733 -6.147 1.00 0.00 O ATOM 1152 CB LEU A 80 -14.127 -9.528 -8.555 1.00 0.00 C ATOM 1153 CG LEU A 80 -15.563 -9.510 -7.994 1.00 0.00 C ATOM 1154 CD1 LEU A 80 -16.432 -8.506 -8.775 1.00 0.00 C ATOM 1155 CD2 LEU A 80 -16.165 -10.914 -8.104 1.00 0.00 C ATOM 0 H LEU A 80 -11.590 -8.964 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.082 -7.376 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.147 -9.768 -9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.546 -10.308 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.534 -9.203 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.443 -8.505 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.004 -7.508 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.465 -8.794 -9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.181 -10.906 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.185 -11.220 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.558 -11.616 -7.532 1.00 0.00 H new ATOM 1167 N ILE A 81 -13.841 -6.815 -6.368 1.00 0.00 N ATOM 1168 CA ILE A 81 -13.762 -6.480 -4.949 1.00 0.00 C ATOM 1169 C ILE A 81 -15.032 -5.761 -4.504 1.00 0.00 C ATOM 1170 O ILE A 81 -15.632 -5.011 -5.274 1.00 0.00 O ATOM 1171 CB ILE A 81 -12.542 -5.586 -4.685 1.00 0.00 C ATOM 1172 CG1 ILE A 81 -12.711 -4.214 -5.398 1.00 0.00 C ATOM 1173 CG2 ILE A 81 -11.285 -6.292 -5.211 1.00 0.00 C ATOM 1174 CD1 ILE A 81 -13.174 -3.144 -4.406 1.00 0.00 C ATOM 0 H ILE A 81 -14.345 -6.135 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.659 -7.404 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.449 -5.410 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.765 -3.914 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -13.436 -4.305 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -10.412 -5.665 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -11.161 -7.245 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.388 -6.468 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -13.286 -2.192 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -14.131 -3.437 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.435 -3.040 -3.612 1.00 0.00 H new ATOM 1186 N ASN A 82 -15.439 -5.993 -3.261 1.00 0.00 N ATOM 1187 CA ASN A 82 -16.643 -5.360 -2.730 1.00 0.00 C ATOM 1188 C ASN A 82 -16.440 -3.858 -2.537 1.00 0.00 C ATOM 1189 O ASN A 82 -17.264 -3.050 -2.964 1.00 0.00 O ATOM 1190 CB ASN A 82 -17.003 -5.995 -1.394 1.00 0.00 C ATOM 1191 CG ASN A 82 -18.273 -5.357 -0.840 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -18.242 -4.723 0.216 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -19.394 -5.483 -1.496 1.00 0.00 N ATOM 0 H ASN A 82 -14.958 -6.609 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.450 -5.508 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.150 -7.068 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.183 -5.866 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -20.247 -5.056 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -19.417 -6.008 -2.370 1.00 0.00 H new ATOM 1457 N GLY B 207 2.050 -1.462 -19.699 1.00 0.00 N ATOM 1458 CA GLY B 207 0.866 -0.773 -20.224 1.00 0.00 C ATOM 1459 C GLY B 207 0.357 0.268 -19.239 1.00 0.00 C ATOM 1460 O GLY B 207 1.124 1.087 -18.732 1.00 0.00 O ATOM 0 HA2 GLY B 207 1.111 -0.293 -21.171 1.00 0.00 H new ATOM 0 HA3 GLY B 207 0.080 -1.499 -20.429 1.00 0.00 H new ATOM 1464 N SER B 208 -0.943 0.228 -18.969 1.00 0.00 N ATOM 1465 CA SER B 208 -1.552 1.169 -18.038 1.00 0.00 C ATOM 1466 C SER B 208 -2.957 0.719 -17.654 1.00 0.00 C ATOM 1467 O SER B 208 -3.499 -0.221 -18.235 1.00 0.00 O ATOM 1468 CB SER B 208 -1.602 2.559 -18.656 1.00 0.00 C ATOM 1469 OG SER B 208 -2.294 2.499 -19.896 1.00 0.00 O ATOM 0 H SER B 208 -1.592 -0.443 -19.380 1.00 0.00 H new ATOM 0 HA SER B 208 -0.941 1.201 -17.136 1.00 0.00 H new ATOM 0 HB2 SER B 208 -2.103 3.252 -17.980 1.00 0.00 H new ATOM 0 HB3 SER B 208 -0.591 2.938 -18.809 1.00 0.00 H new ATOM 0 HG SER B 208 -2.329 3.394 -20.295 1.00 0.00 H new ATOM 1475 N TRP B 209 -3.546 1.406 -16.682 1.00 0.00 N ATOM 1476 CA TRP B 209 -4.901 1.087 -16.236 1.00 0.00 C ATOM 1477 C TRP B 209 -5.933 1.756 -17.136 1.00 0.00 C ATOM 1478 O TRP B 209 -5.714 2.856 -17.642 1.00 0.00 O ATOM 1479 CB TRP B 209 -5.103 1.545 -14.787 1.00 0.00 C ATOM 1480 CG TRP B 209 -4.530 0.533 -13.850 1.00 0.00 C ATOM 1481 CD1 TRP B 209 -3.230 0.445 -13.490 1.00 0.00 C ATOM 1482 CD2 TRP B 209 -5.226 -0.537 -13.154 1.00 0.00 C ATOM 1483 NE1 TRP B 209 -3.085 -0.616 -12.606 1.00 0.00 N ATOM 1484 CE2 TRP B 209 -4.292 -1.246 -12.366 1.00 0.00 C ATOM 1485 CE3 TRP B 209 -6.568 -0.955 -13.132 1.00 0.00 C ATOM 1486 CZ2 TRP B 209 -4.681 -2.332 -11.577 1.00 0.00 C ATOM 1487 CZ3 TRP B 209 -6.961 -2.047 -12.341 1.00 0.00 C ATOM 1488 CH2 TRP B 209 -6.020 -2.731 -11.563 1.00 0.00 C ATOM 0 H TRP B 209 -3.110 2.185 -16.188 1.00 0.00 H new ATOM 0 HA TRP B 209 -5.034 0.007 -16.292 1.00 0.00 H new ATOM 0 HB2 TRP B 209 -4.622 2.511 -14.631 1.00 0.00 H new ATOM 0 HB3 TRP B 209 -6.165 1.681 -14.584 1.00 0.00 H new ATOM 0 HD1 TRP B 209 -2.436 1.092 -13.833 1.00 0.00 H new ATOM 0 HE1 TRP B 209 -2.199 -0.896 -12.186 1.00 0.00 H new ATOM 0 HE3 TRP B 209 -7.302 -0.433 -13.728 1.00 0.00 H new ATOM 0 HZ2 TRP B 209 -3.951 -2.860 -10.982 1.00 0.00 H new ATOM 0 HZ3 TRP B 209 -7.994 -2.360 -12.333 1.00 0.00 H new ATOM 0 HH2 TRP B 209 -6.329 -3.567 -10.952 1.00 0.00 H new ATOM 1499 N THR B 210 -7.067 1.079 -17.328 1.00 0.00 N ATOM 1500 CA THR B 210 -8.144 1.608 -18.165 1.00 0.00 C ATOM 1501 C THR B 210 -9.468 1.567 -17.411 1.00 0.00 C ATOM 1502 O THR B 210 -9.843 0.539 -16.848 1.00 0.00 O ATOM 1503 CB THR B 210 -8.259 0.777 -19.444 1.00 0.00 C ATOM 1504 OG1 THR B 210 -8.754 -0.518 -19.122 1.00 0.00 O ATOM 1505 CG2 THR B 210 -6.882 0.650 -20.094 1.00 0.00 C ATOM 0 H THR B 210 -7.262 0.166 -16.916 1.00 0.00 H new ATOM 0 HA THR B 210 -7.914 2.642 -18.421 1.00 0.00 H new ATOM 0 HB THR B 210 -8.943 1.266 -20.137 1.00 0.00 H new ATOM 0 HG1 THR B 210 -8.283 -0.862 -18.335 1.00 0.00 H new ATOM 0 HG21 THR B 210 -6.963 0.058 -21.006 1.00 0.00 H new ATOM 0 HG22 THR B 210 -6.502 1.642 -20.338 1.00 0.00 H new ATOM 0 HG23 THR B 210 -6.197 0.159 -19.402 1.00 0.00 H new ATOM 1513 N TRP B 211 -10.176 2.696 -17.406 1.00 0.00 N ATOM 1514 CA TRP B 211 -11.466 2.787 -16.721 1.00 0.00 C ATOM 1515 C TRP B 211 -12.608 2.538 -17.703 1.00 0.00 C ATOM 1516 O TRP B 211 -12.804 3.298 -18.651 1.00 0.00 O ATOM 1517 CB TRP B 211 -11.617 4.178 -16.082 1.00 0.00 C ATOM 1518 CG TRP B 211 -13.054 4.420 -15.730 1.00 0.00 C ATOM 1519 CD1 TRP B 211 -13.878 5.270 -16.382 1.00 0.00 C ATOM 1520 CD2 TRP B 211 -13.850 3.797 -14.683 1.00 0.00 C ATOM 1521 NE1 TRP B 211 -15.128 5.218 -15.796 1.00 0.00 N ATOM 1522 CE2 TRP B 211 -15.160 4.328 -14.742 1.00 0.00 C ATOM 1523 CE3 TRP B 211 -13.566 2.839 -13.694 1.00 0.00 C ATOM 1524 CZ2 TRP B 211 -16.153 3.920 -13.853 1.00 0.00 C ATOM 1525 CZ3 TRP B 211 -14.565 2.428 -12.798 1.00 0.00 C ATOM 1526 CH2 TRP B 211 -15.854 2.967 -12.877 1.00 0.00 C ATOM 0 H TRP B 211 -9.880 3.557 -17.866 1.00 0.00 H new ATOM 0 HA TRP B 211 -11.505 2.026 -15.941 1.00 0.00 H new ATOM 0 HB2 TRP B 211 -10.997 4.247 -15.188 1.00 0.00 H new ATOM 0 HB3 TRP B 211 -11.268 4.946 -16.772 1.00 0.00 H new ATOM 0 HD1 TRP B 211 -13.604 5.889 -17.224 1.00 0.00 H new ATOM 0 HE1 TRP B 211 -15.929 5.770 -16.104 1.00 0.00 H new ATOM 0 HE3 TRP B 211 -12.574 2.417 -13.623 1.00 0.00 H new ATOM 0 HZ2 TRP B 211 -17.147 4.338 -13.919 1.00 0.00 H new ATOM 0 HZ3 TRP B 211 -14.337 1.691 -12.042 1.00 0.00 H new ATOM 0 HH2 TRP B 211 -16.617 2.646 -12.183 1.00 0.00 H new ATOM 1537 N GLU B 212 -13.369 1.480 -17.452 1.00 0.00 N ATOM 1538 CA GLU B 212 -14.500 1.152 -18.308 1.00 0.00 C ATOM 1539 C GLU B 212 -15.436 0.165 -17.612 1.00 0.00 C ATOM 1540 O GLU B 212 -15.046 -0.513 -16.664 1.00 0.00 O ATOM 1541 CB GLU B 212 -13.981 0.564 -19.647 1.00 0.00 C ATOM 1542 CG GLU B 212 -14.192 -0.965 -19.712 1.00 0.00 C ATOM 1543 CD GLU B 212 -13.417 -1.554 -20.883 1.00 0.00 C ATOM 1544 OE1 GLU B 212 -12.267 -1.187 -21.050 1.00 0.00 O ATOM 1545 OE2 GLU B 212 -13.985 -2.372 -21.588 1.00 0.00 O ATOM 0 H GLU B 212 -13.225 0.841 -16.670 1.00 0.00 H new ATOM 0 HA GLU B 212 -15.067 2.060 -18.513 1.00 0.00 H new ATOM 0 HB2 GLU B 212 -14.499 1.040 -20.480 1.00 0.00 H new ATOM 0 HB3 GLU B 212 -12.921 0.791 -19.759 1.00 0.00 H new ATOM 0 HG2 GLU B 212 -13.862 -1.425 -18.780 1.00 0.00 H new ATOM 0 HG3 GLU B 212 -15.253 -1.189 -19.820 1.00 0.00 H new ATOM 1552 N ASN B 213 -16.642 0.034 -18.141 1.00 0.00 N ATOM 1553 CA ASN B 213 -17.584 -0.935 -17.608 1.00 0.00 C ATOM 1554 C ASN B 213 -17.764 -0.774 -16.104 1.00 0.00 C ATOM 1555 O ASN B 213 -17.858 -1.762 -15.374 1.00 0.00 O ATOM 1556 CB ASN B 213 -17.081 -2.346 -17.934 1.00 0.00 C ATOM 1557 CG ASN B 213 -17.314 -2.664 -19.407 1.00 0.00 C ATOM 1558 OD1 ASN B 213 -18.419 -2.277 -19.978 1.00 0.00 O flip ATOM 1559 ND2 ASN B 213 -16.472 -3.291 -20.048 1.00 0.00 N flip ATOM 0 H ASN B 213 -16.988 0.580 -18.930 1.00 0.00 H new ATOM 0 HA ASN B 213 -18.557 -0.768 -18.070 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -16.019 -2.423 -17.702 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -17.597 -3.076 -17.311 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -15.608 -3.592 -19.597 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -16.638 -3.510 -21.030 1.00 0.00 H new ATOM 1566 N GLY B 214 -17.813 0.468 -15.643 1.00 0.00 N ATOM 1567 CA GLY B 214 -17.991 0.737 -14.223 1.00 0.00 C ATOM 1568 C GLY B 214 -17.011 -0.075 -13.384 1.00 0.00 C ATOM 1569 O GLY B 214 -17.241 -0.310 -12.199 1.00 0.00 O ATOM 0 H GLY B 214 -17.733 1.300 -16.227 1.00 0.00 H new ATOM 0 HA2 GLY B 214 -17.846 1.800 -14.030 1.00 0.00 H new ATOM 0 HA3 GLY B 214 -19.013 0.496 -13.929 1.00 0.00 H new ATOM 1573 N LYS B 215 -15.921 -0.506 -14.011 1.00 0.00 N ATOM 1574 CA LYS B 215 -14.908 -1.299 -13.323 1.00 0.00 C ATOM 1575 C LYS B 215 -13.517 -1.030 -13.878 1.00 0.00 C ATOM 1576 O LYS B 215 -13.357 -0.676 -15.044 1.00 0.00 O ATOM 1577 CB LYS B 215 -15.224 -2.786 -13.479 1.00 0.00 C ATOM 1578 CG LYS B 215 -16.520 -3.139 -12.724 1.00 0.00 C ATOM 1579 CD LYS B 215 -16.516 -4.630 -12.332 1.00 0.00 C ATOM 1580 CE LYS B 215 -15.758 -4.819 -11.012 1.00 0.00 C ATOM 1581 NZ LYS B 215 -15.735 -6.264 -10.661 1.00 0.00 N ATOM 0 H LYS B 215 -15.717 -0.320 -14.993 1.00 0.00 H new ATOM 0 HA LYS B 215 -14.923 -1.016 -12.271 1.00 0.00 H new ATOM 0 HB2 LYS B 215 -15.331 -3.033 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS B 215 -14.397 -3.383 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS B 215 -16.610 -2.521 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS B 215 -17.385 -2.922 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS B 215 -17.539 -4.991 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS B 215 -16.047 -5.221 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS B 215 -14.740 -4.440 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS B 215 -16.239 -4.248 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 215 -14.934 -6.454 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 215 -16.624 -6.520 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 215 -15.631 -6.830 -11.527 1.00 0.00 H new ATOM 1595 N TRP B 216 -12.507 -1.219 -13.034 1.00 0.00 N ATOM 1596 CA TRP B 216 -11.123 -1.013 -13.448 1.00 0.00 C ATOM 1597 C TRP B 216 -10.536 -2.325 -13.950 1.00 0.00 C ATOM 1598 O TRP B 216 -10.464 -3.305 -13.210 1.00 0.00 O ATOM 1599 CB TRP B 216 -10.299 -0.493 -12.275 1.00 0.00 C ATOM 1600 CG TRP B 216 -10.963 0.715 -11.707 1.00 0.00 C ATOM 1601 CD1 TRP B 216 -12.127 0.702 -11.026 1.00 0.00 C ATOM 1602 CD2 TRP B 216 -10.529 2.104 -11.754 1.00 0.00 C ATOM 1603 NE1 TRP B 216 -12.436 1.997 -10.646 1.00 0.00 N ATOM 1604 CE2 TRP B 216 -11.482 2.896 -11.074 1.00 0.00 C ATOM 1605 CE3 TRP B 216 -9.412 2.746 -12.318 1.00 0.00 C ATOM 1606 CZ2 TRP B 216 -11.333 4.278 -10.954 1.00 0.00 C ATOM 1607 CZ3 TRP B 216 -9.258 4.138 -12.199 1.00 0.00 C ATOM 1608 CH2 TRP B 216 -10.217 4.901 -11.519 1.00 0.00 C ATOM 0 H TRP B 216 -12.620 -1.513 -12.064 1.00 0.00 H new ATOM 0 HA TRP B 216 -11.098 -0.277 -14.252 1.00 0.00 H new ATOM 0 HB2 TRP B 216 -10.205 -1.264 -11.511 1.00 0.00 H new ATOM 0 HB3 TRP B 216 -9.290 -0.247 -12.605 1.00 0.00 H new ATOM 0 HD1 TRP B 216 -12.721 -0.175 -10.812 1.00 0.00 H new ATOM 0 HE1 TRP B 216 -13.268 2.255 -10.114 1.00 0.00 H new ATOM 0 HE3 TRP B 216 -8.669 2.166 -12.845 1.00 0.00 H new ATOM 0 HZ2 TRP B 216 -12.074 4.862 -10.429 1.00 0.00 H new ATOM 0 HZ3 TRP B 216 -8.396 4.622 -12.634 1.00 0.00 H new ATOM 0 HH2 TRP B 216 -10.094 5.970 -11.432 1.00 0.00 H new ATOM 1619 N THR B 217 -10.126 -2.344 -15.217 1.00 0.00 N ATOM 1620 CA THR B 217 -9.549 -3.551 -15.815 1.00 0.00 C ATOM 1621 C THR B 217 -8.267 -3.213 -16.566 1.00 0.00 C ATOM 1622 O THR B 217 -8.152 -2.146 -17.171 1.00 0.00 O ATOM 1623 CB THR B 217 -10.554 -4.186 -16.782 1.00 0.00 C ATOM 1624 OG1 THR B 217 -11.826 -4.268 -16.153 1.00 0.00 O ATOM 1625 CG2 THR B 217 -10.089 -5.595 -17.165 1.00 0.00 C ATOM 0 H THR B 217 -10.181 -1.544 -15.847 1.00 0.00 H new ATOM 0 HA THR B 217 -9.317 -4.255 -15.016 1.00 0.00 H new ATOM 0 HB THR B 217 -10.624 -3.572 -17.680 1.00 0.00 H new ATOM 0 HG1 THR B 217 -12.471 -4.672 -16.770 1.00 0.00 H new ATOM 0 HG21 THR B 217 -10.808 -6.041 -17.853 1.00 0.00 H new ATOM 0 HG22 THR B 217 -9.113 -5.538 -17.647 1.00 0.00 H new ATOM 0 HG23 THR B 217 -10.015 -6.210 -16.268 1.00 0.00 H new ATOM 1633 N TRP B 218 -7.308 -4.136 -16.529 1.00 0.00 N ATOM 1634 CA TRP B 218 -6.032 -3.939 -17.217 1.00 0.00 C ATOM 1635 C TRP B 218 -6.003 -4.758 -18.502 1.00 0.00 C ATOM 1636 O TRP B 218 -6.089 -5.985 -18.473 1.00 0.00 O ATOM 1637 CB TRP B 218 -4.879 -4.368 -16.309 1.00 0.00 C ATOM 1638 CG TRP B 218 -3.588 -4.202 -17.036 1.00 0.00 C ATOM 1639 CD1 TRP B 218 -3.140 -5.015 -18.021 1.00 0.00 C ATOM 1640 CD2 TRP B 218 -2.567 -3.182 -16.851 1.00 0.00 C ATOM 1641 NE1 TRP B 218 -1.913 -4.553 -18.457 1.00 0.00 N ATOM 1642 CE2 TRP B 218 -1.518 -3.427 -17.765 1.00 0.00 C ATOM 1643 CE3 TRP B 218 -2.453 -2.077 -15.989 1.00 0.00 C ATOM 1644 CZ2 TRP B 218 -0.393 -2.609 -17.821 1.00 0.00 C ATOM 1645 CZ3 TRP B 218 -1.320 -1.247 -16.045 1.00 0.00 C ATOM 1646 CH2 TRP B 218 -0.292 -1.514 -16.958 1.00 0.00 C ATOM 0 H TRP B 218 -7.388 -5.024 -16.033 1.00 0.00 H new ATOM 0 HA TRP B 218 -5.922 -2.883 -17.462 1.00 0.00 H new ATOM 0 HB2 TRP B 218 -4.876 -3.769 -15.399 1.00 0.00 H new ATOM 0 HB3 TRP B 218 -5.007 -5.407 -16.006 1.00 0.00 H new ATOM 0 HD1 TRP B 218 -3.657 -5.883 -18.404 1.00 0.00 H new ATOM 0 HE1 TRP B 218 -1.367 -4.991 -19.199 1.00 0.00 H new ATOM 0 HE3 TRP B 218 -3.240 -1.865 -15.280 1.00 0.00 H new ATOM 0 HZ2 TRP B 218 0.397 -2.819 -18.527 1.00 0.00 H new ATOM 0 HZ3 TRP B 218 -1.242 -0.399 -15.381 1.00 0.00 H new ATOM 0 HH2 TRP B 218 0.578 -0.875 -16.995 1.00 0.00 H new ATOM 1657 N LYS B 219 -5.884 -4.066 -19.630 1.00 0.00 N ATOM 1658 CA LYS B 219 -5.848 -4.717 -20.942 1.00 0.00 C ATOM 1659 C LYS B 219 -4.849 -4.034 -21.860 1.00 0.00 C ATOM 1660 O LYS B 219 -4.381 -2.931 -21.579 1.00 0.00 O ATOM 1661 CB LYS B 219 -7.241 -4.690 -21.584 1.00 0.00 C ATOM 1662 CG LYS B 219 -8.141 -5.733 -20.925 1.00 0.00 C ATOM 1663 CD LYS B 219 -9.529 -5.677 -21.566 1.00 0.00 C ATOM 1664 CE LYS B 219 -10.384 -6.810 -21.010 1.00 0.00 C ATOM 1665 NZ LYS B 219 -11.768 -6.711 -21.558 1.00 0.00 N ATOM 0 H LYS B 219 -5.810 -3.049 -19.666 1.00 0.00 H new ATOM 0 HA LYS B 219 -5.536 -5.751 -20.798 1.00 0.00 H new ATOM 0 HB2 LYS B 219 -7.681 -3.698 -21.476 1.00 0.00 H new ATOM 0 HB3 LYS B 219 -7.162 -4.889 -22.653 1.00 0.00 H new ATOM 0 HG2 LYS B 219 -7.712 -6.728 -21.044 1.00 0.00 H new ATOM 0 HG3 LYS B 219 -8.214 -5.543 -19.854 1.00 0.00 H new ATOM 0 HD2 LYS B 219 -9.999 -4.716 -21.360 1.00 0.00 H new ATOM 0 HD3 LYS B 219 -9.446 -5.766 -22.649 1.00 0.00 H new ATOM 0 HE2 LYS B 219 -9.946 -7.772 -21.274 1.00 0.00 H new ATOM 0 HE3 LYS B 219 -10.409 -6.759 -19.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 219 -12.349 -7.485 -21.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 219 -12.185 -5.798 -21.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 219 -11.736 -6.780 -22.595 1.00 0.00 H new ATOM 1679 N GLY B 220 -4.524 -4.709 -22.951 1.00 0.00 N ATOM 1680 CA GLY B 220 -3.573 -4.170 -23.905 1.00 0.00 C ATOM 1681 C GLY B 220 -3.432 -5.074 -25.120 1.00 0.00 C ATOM 1682 O GLY B 220 -4.315 -5.882 -25.408 1.00 0.00 O ATOM 0 H GLY B 220 -4.902 -5.624 -23.195 1.00 0.00 H new ATOM 0 HA2 GLY B 220 -3.896 -3.179 -24.223 1.00 0.00 H new ATOM 0 HA3 GLY B 220 -2.602 -4.050 -23.425 1.00 0.00 H new ATOM 1686 N ILE B 221 -2.341 -4.907 -25.858 1.00 0.00 N ATOM 1687 CA ILE B 221 -2.137 -5.692 -27.068 1.00 0.00 C ATOM 1688 C ILE B 221 -2.283 -7.177 -26.765 1.00 0.00 C ATOM 1689 O ILE B 221 -3.297 -7.786 -27.099 1.00 0.00 O ATOM 1690 CB ILE B 221 -0.734 -5.421 -27.632 1.00 0.00 C ATOM 1691 CG1 ILE B 221 -0.482 -3.907 -27.693 1.00 0.00 C ATOM 1692 CG2 ILE B 221 -0.615 -6.008 -29.049 1.00 0.00 C ATOM 1693 CD1 ILE B 221 0.912 -3.647 -28.260 1.00 0.00 C ATOM 0 H ILE B 221 -1.595 -4.245 -25.644 1.00 0.00 H new ATOM 0 HA ILE B 221 -2.888 -5.404 -27.803 1.00 0.00 H new ATOM 0 HB ILE B 221 0.003 -5.890 -26.981 1.00 0.00 H new ATOM 0 HG12 ILE B 221 -1.236 -3.427 -28.317 1.00 0.00 H new ATOM 0 HG13 ILE B 221 -0.568 -3.472 -26.697 1.00 0.00 H new ATOM 0 HG21 ILE B 221 0.383 -5.812 -29.442 1.00 0.00 H new ATOM 0 HG22 ILE B 221 -0.785 -7.084 -29.013 1.00 0.00 H new ATOM 0 HG23 ILE B 221 -1.358 -5.545 -29.698 1.00 0.00 H new ATOM 0 HD11 ILE B 221 1.092 -2.573 -28.304 1.00 0.00 H new ATOM 0 HD12 ILE B 221 1.659 -4.114 -27.618 1.00 0.00 H new ATOM 0 HD13 ILE B 221 0.981 -4.068 -29.263 1.00 0.00 H new ATOM 1705 N ILE B 222 -1.275 -7.749 -26.117 1.00 0.00 N ATOM 1706 CA ILE B 222 -1.296 -9.163 -25.764 1.00 0.00 C ATOM 1707 C ILE B 222 -0.296 -9.438 -24.648 1.00 0.00 C ATOM 1708 O ILE B 222 0.209 -8.508 -24.019 1.00 0.00 O ATOM 1709 CB ILE B 222 -0.942 -10.024 -26.973 1.00 0.00 C ATOM 1710 CG1 ILE B 222 0.354 -9.509 -27.593 1.00 0.00 C ATOM 1711 CG2 ILE B 222 -2.060 -9.972 -28.016 1.00 0.00 C ATOM 1712 CD1 ILE B 222 0.855 -10.540 -28.588 1.00 0.00 C ATOM 0 H ILE B 222 -0.432 -7.254 -25.825 1.00 0.00 H new ATOM 0 HA ILE B 222 -2.302 -9.414 -25.428 1.00 0.00 H new ATOM 0 HB ILE B 222 -0.817 -11.056 -26.647 1.00 0.00 H new ATOM 0 HG12 ILE B 222 0.183 -8.554 -28.091 1.00 0.00 H new ATOM 0 HG13 ILE B 222 1.101 -9.335 -26.819 1.00 0.00 H new ATOM 0 HG21 ILE B 222 -1.789 -10.592 -28.871 1.00 0.00 H new ATOM 0 HG22 ILE B 222 -2.985 -10.344 -27.576 1.00 0.00 H new ATOM 0 HG23 ILE B 222 -2.203 -8.943 -28.345 1.00 0.00 H new ATOM 0 HD11 ILE B 222 1.782 -10.188 -29.041 1.00 0.00 H new ATOM 0 HD12 ILE B 222 1.038 -11.483 -28.073 1.00 0.00 H new ATOM 0 HD13 ILE B 222 0.105 -10.690 -29.365 1.00 0.00 H new ATOM 1724 N ARG B 223 -0.013 -10.720 -24.417 1.00 0.00 N ATOM 1725 CA ARG B 223 0.944 -11.128 -23.397 1.00 0.00 C ATOM 1726 C ARG B 223 2.168 -10.222 -23.420 1.00 0.00 C ATOM 1727 O ARG B 223 2.305 -9.348 -24.274 1.00 0.00 O ATOM 1728 CB ARG B 223 1.365 -12.572 -23.600 1.00 0.00 C ATOM 1729 CG ARG B 223 1.612 -12.821 -25.081 1.00 0.00 C ATOM 1730 CD ARG B 223 2.098 -14.246 -25.263 1.00 0.00 C ATOM 1731 NE ARG B 223 2.374 -14.504 -26.674 1.00 0.00 N ATOM 1732 CZ ARG B 223 3.549 -14.192 -27.217 1.00 0.00 C ATOM 1733 NH1 ARG B 223 4.483 -13.652 -26.482 1.00 0.00 N ATOM 1734 NH2 ARG B 223 3.768 -14.424 -28.482 1.00 0.00 N ATOM 0 H ARG B 223 -0.437 -11.495 -24.927 1.00 0.00 H new ATOM 0 HA ARG B 223 0.458 -11.040 -22.425 1.00 0.00 H new ATOM 0 HB2 ARG B 223 2.269 -12.783 -23.028 1.00 0.00 H new ATOM 0 HB3 ARG B 223 0.590 -13.244 -23.231 1.00 0.00 H new ATOM 0 HG2 ARG B 223 0.696 -12.659 -25.649 1.00 0.00 H new ATOM 0 HG3 ARG B 223 2.352 -12.118 -25.464 1.00 0.00 H new ATOM 0 HD2 ARG B 223 2.999 -14.410 -24.672 1.00 0.00 H new ATOM 0 HD3 ARG B 223 1.346 -14.945 -24.898 1.00 0.00 H new ATOM 0 HE ARG B 223 1.653 -14.932 -27.255 1.00 0.00 H new ATOM 0 HH11 ARG B 223 4.312 -13.470 -25.493 1.00 0.00 H new ATOM 0 HH12 ARG B 223 5.384 -13.412 -26.897 1.00 0.00 H new ATOM 0 HH21 ARG B 223 3.038 -14.845 -29.057 1.00 0.00 H new ATOM 0 HH22 ARG B 223 4.669 -14.184 -28.896 1.00 0.00 H new ATOM 1748 N LEU B 224 3.056 -10.437 -22.474 1.00 0.00 N ATOM 1749 CA LEU B 224 4.255 -9.629 -22.386 1.00 0.00 C ATOM 1750 C LEU B 224 5.093 -9.759 -23.650 1.00 0.00 C ATOM 1751 O LEU B 224 5.502 -10.855 -24.030 1.00 0.00 O ATOM 1752 CB LEU B 224 5.081 -10.056 -21.170 1.00 0.00 C ATOM 1753 CG LEU B 224 4.373 -9.645 -19.866 1.00 0.00 C ATOM 1754 CD1 LEU B 224 4.238 -8.115 -19.797 1.00 0.00 C ATOM 1755 CD2 LEU B 224 2.978 -10.294 -19.792 1.00 0.00 C ATOM 0 H LEU B 224 2.973 -11.159 -21.759 1.00 0.00 H new ATOM 0 HA LEU B 224 3.958 -8.586 -22.277 1.00 0.00 H new ATOM 0 HB2 LEU B 224 5.230 -11.136 -21.185 1.00 0.00 H new ATOM 0 HB3 LEU B 224 6.069 -9.597 -21.215 1.00 0.00 H new ATOM 0 HG LEU B 224 4.971 -9.989 -19.022 1.00 0.00 H new ATOM 0 HD11 LEU B 224 3.736 -7.835 -18.871 1.00 0.00 H new ATOM 0 HD12 LEU B 224 5.228 -7.661 -19.824 1.00 0.00 H new ATOM 0 HD13 LEU B 224 3.654 -7.763 -20.647 1.00 0.00 H new ATOM 0 HD21 LEU B 224 2.487 -9.996 -18.866 1.00 0.00 H new ATOM 0 HD22 LEU B 224 2.379 -9.967 -20.642 1.00 0.00 H new ATOM 0 HD23 LEU B 224 3.080 -11.379 -19.816 1.00 0.00 H new ATOM 1767 N GLU B 225 5.352 -8.621 -24.288 1.00 0.00 N ATOM 1768 CA GLU B 225 6.148 -8.591 -25.508 1.00 0.00 C ATOM 1769 C GLU B 225 7.626 -8.533 -25.172 1.00 0.00 C ATOM 1770 O GLU B 225 8.035 -7.845 -24.238 1.00 0.00 O ATOM 1771 CB GLU B 225 5.755 -7.380 -26.358 1.00 0.00 C ATOM 1772 CG GLU B 225 6.554 -7.396 -27.660 1.00 0.00 C ATOM 1773 CD GLU B 225 6.065 -6.294 -28.589 1.00 0.00 C ATOM 1774 OE1 GLU B 225 6.426 -5.150 -28.365 1.00 0.00 O ATOM 1775 OE2 GLU B 225 5.337 -6.609 -29.518 1.00 0.00 O ATOM 0 H GLU B 225 5.021 -7.707 -23.979 1.00 0.00 H new ATOM 0 HA GLU B 225 5.955 -9.502 -26.075 1.00 0.00 H new ATOM 0 HB2 GLU B 225 4.687 -7.404 -26.573 1.00 0.00 H new ATOM 0 HB3 GLU B 225 5.949 -6.458 -25.810 1.00 0.00 H new ATOM 0 HG2 GLU B 225 7.614 -7.258 -27.447 1.00 0.00 H new ATOM 0 HG3 GLU B 225 6.450 -8.365 -28.147 1.00 0.00 H new