USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 593 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 20 SER OG : rot -132:sc= 1.37 USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 1.13 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 163:sc= 1.31 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 41 HIS : no HD1:sc= -0.0993 K(o=-0.099,f=-0.67) USER MOD Single : A 51 HIS : no HD1:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 58 CYS SG : rot 88:sc= 1.25 USER MOD Single : A 61 SER OG : rot 76:sc= 0.767 USER MOD Single : A 63 MET CE :methyl -175:sc= -1.44 (180deg=-1.58) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 79 SER OG : rot 69:sc= 1.21 USER MOD Single : A 81 GLN : amide:sc= 0.279 K(o=0.28,f=-3.9!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=0) USER MOD Single : A 86 MET CE :methyl 151:sc= -0.349 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -10.467 9.704 8.480 1.00 0.00 N ATOM 149 CA ASP A 10 -9.691 8.506 8.753 1.00 0.00 C ATOM 150 C ASP A 10 -10.454 7.274 8.283 1.00 0.00 C ATOM 151 O ASP A 10 -11.271 6.700 9.004 1.00 0.00 O ATOM 152 CB ASP A 10 -9.313 8.405 10.241 1.00 0.00 C ATOM 153 CG ASP A 10 -10.505 8.427 11.180 1.00 0.00 C ATOM 154 OD1 ASP A 10 -11.127 9.501 11.336 1.00 0.00 O ATOM 155 OD2 ASP A 10 -10.810 7.378 11.787 1.00 0.00 O ATOM 0 HA ASP A 10 -8.756 8.565 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.753 7.484 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.648 9.231 10.494 1.00 0.00 H new ATOM 160 N VAL A 11 -10.204 6.897 7.043 1.00 0.00 N ATOM 161 CA VAL A 11 -10.888 5.774 6.432 1.00 0.00 C ATOM 162 C VAL A 11 -10.112 4.496 6.690 1.00 0.00 C ATOM 163 O VAL A 11 -8.992 4.326 6.200 1.00 0.00 O ATOM 164 CB VAL A 11 -11.052 5.980 4.913 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.999 4.949 4.325 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.544 7.383 4.617 1.00 0.00 C ATOM 0 H VAL A 11 -9.526 7.357 6.435 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.880 5.700 6.878 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.076 5.849 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.098 5.116 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.603 3.949 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.977 5.041 4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.654 7.510 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.508 7.540 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.825 8.109 4.997 1.00 0.00 H new ATOM 176 N LYS A 12 -10.689 3.609 7.482 1.00 0.00 N ATOM 177 CA LYS A 12 -10.021 2.372 7.818 1.00 0.00 C ATOM 178 C LYS A 12 -10.551 1.210 6.987 1.00 0.00 C ATOM 179 O LYS A 12 -11.657 1.270 6.447 1.00 0.00 O ATOM 180 CB LYS A 12 -10.150 2.071 9.313 1.00 0.00 C ATOM 181 CG LYS A 12 -9.359 3.030 10.187 1.00 0.00 C ATOM 182 CD LYS A 12 -9.359 2.594 11.641 1.00 0.00 C ATOM 183 CE LYS A 12 -8.440 3.468 12.484 1.00 0.00 C ATOM 184 NZ LYS A 12 -8.407 3.027 13.902 1.00 0.00 N ATOM 0 H LYS A 12 -11.612 3.724 7.900 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.964 2.494 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.202 2.115 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.811 1.053 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.333 3.090 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.784 4.030 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.373 2.643 12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.039 1.554 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.432 3.439 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.776 4.504 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.771 3.646 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.365 3.078 14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.062 2.047 13.953 1.00 0.00 H new ATOM 198 N TRP A 13 -9.751 0.157 6.896 1.00 0.00 N ATOM 199 CA TRP A 13 -10.097 -1.011 6.098 1.00 0.00 C ATOM 200 C TRP A 13 -10.908 -2.008 6.907 1.00 0.00 C ATOM 201 O TRP A 13 -11.288 -1.738 8.050 1.00 0.00 O ATOM 202 CB TRP A 13 -8.831 -1.697 5.582 1.00 0.00 C ATOM 203 CG TRP A 13 -8.546 -1.434 4.136 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.359 -1.724 3.081 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.356 -0.861 3.584 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.753 -1.358 1.906 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.522 -0.826 2.188 1.00 0.00 C ATOM 208 CE3 TRP A 13 -6.168 -0.374 4.133 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.546 -0.319 1.334 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -5.200 0.128 3.286 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.393 0.152 1.899 1.00 0.00 C ATOM 0 H TRP A 13 -8.850 0.088 7.369 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.699 -0.668 5.256 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.981 -1.363 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.924 -2.772 5.734 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.337 -2.176 3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.154 -1.465 0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.009 -0.390 5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.694 -0.298 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.278 0.509 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.616 0.550 1.263 1.00 0.00 H new ATOM 222 N GLU A 14 -11.177 -3.157 6.294 1.00 0.00 N ATOM 223 CA GLU A 14 -11.864 -4.249 6.967 1.00 0.00 C ATOM 224 C GLU A 14 -11.087 -4.680 8.201 1.00 0.00 C ATOM 225 O GLU A 14 -11.554 -4.521 9.328 1.00 0.00 O ATOM 226 CB GLU A 14 -12.008 -5.451 6.031 1.00 0.00 C ATOM 227 CG GLU A 14 -12.694 -5.145 4.713 1.00 0.00 C ATOM 228 CD GLU A 14 -12.915 -6.396 3.889 1.00 0.00 C ATOM 229 OE1 GLU A 14 -12.023 -6.763 3.097 1.00 0.00 O ATOM 230 OE2 GLU A 14 -13.979 -7.031 4.049 1.00 0.00 O ATOM 0 H GLU A 14 -10.927 -3.354 5.325 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.853 -3.895 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.017 -5.855 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.570 -6.231 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.652 -4.663 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.090 -4.438 4.145 1.00 0.00 H new ATOM 237 N LYS A 15 -9.891 -5.213 7.960 1.00 0.00 N ATOM 238 CA LYS A 15 -9.025 -5.733 9.016 1.00 0.00 C ATOM 239 C LYS A 15 -7.779 -6.414 8.426 1.00 0.00 C ATOM 240 O LYS A 15 -6.660 -6.023 8.747 1.00 0.00 O ATOM 241 CB LYS A 15 -9.785 -6.711 9.929 1.00 0.00 C ATOM 242 CG LYS A 15 -8.908 -7.415 10.950 1.00 0.00 C ATOM 243 CD LYS A 15 -9.721 -8.382 11.791 1.00 0.00 C ATOM 244 CE LYS A 15 -8.838 -9.211 12.705 1.00 0.00 C ATOM 245 NZ LYS A 15 -9.635 -10.161 13.520 1.00 0.00 N ATOM 0 H LYS A 15 -9.494 -5.297 7.024 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.701 -4.884 9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.570 -6.166 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.277 -7.461 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.110 -7.954 10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.432 -6.677 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.443 -7.826 12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.290 -9.043 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.112 -9.763 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.273 -8.551 13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.999 -10.711 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.311 -9.632 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.154 -10.807 12.892 1.00 0.00 H new ATOM 259 N PRO A 16 -7.935 -7.435 7.547 1.00 0.00 N ATOM 260 CA PRO A 16 -6.791 -8.181 7.019 1.00 0.00 C ATOM 261 C PRO A 16 -6.074 -7.463 5.875 1.00 0.00 C ATOM 262 O PRO A 16 -6.286 -7.766 4.696 1.00 0.00 O ATOM 263 CB PRO A 16 -7.422 -9.482 6.531 1.00 0.00 C ATOM 264 CG PRO A 16 -8.800 -9.098 6.116 1.00 0.00 C ATOM 265 CD PRO A 16 -9.213 -7.952 7.003 1.00 0.00 C ATOM 0 HA PRO A 16 -6.016 -8.316 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.861 -9.907 5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.440 -10.234 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.821 -8.803 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.486 -9.938 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.746 -7.185 6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.879 -8.284 7.799 1.00 0.00 H new ATOM 273 N VAL A 17 -5.249 -6.490 6.223 1.00 0.00 N ATOM 274 CA VAL A 17 -4.398 -5.827 5.249 1.00 0.00 C ATOM 275 C VAL A 17 -2.939 -6.085 5.594 1.00 0.00 C ATOM 276 O VAL A 17 -2.316 -5.312 6.319 1.00 0.00 O ATOM 277 CB VAL A 17 -4.658 -4.309 5.186 1.00 0.00 C ATOM 278 CG1 VAL A 17 -3.881 -3.669 4.044 1.00 0.00 C ATOM 279 CG2 VAL A 17 -6.145 -4.029 5.046 1.00 0.00 C ATOM 0 H VAL A 17 -5.150 -6.141 7.176 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.633 -6.239 4.267 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.309 -3.866 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.082 -2.598 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.814 -3.835 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.190 -4.116 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.310 -2.952 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.517 -4.490 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.676 -4.443 5.903 1.00 0.00 H new ATOM 289 N THR A 18 -2.417 -7.191 5.098 1.00 0.00 N ATOM 290 CA THR A 18 -1.075 -7.626 5.435 1.00 0.00 C ATOM 291 C THR A 18 -0.096 -7.345 4.303 1.00 0.00 C ATOM 292 O THR A 18 -0.166 -7.959 3.237 1.00 0.00 O ATOM 293 CB THR A 18 -1.074 -9.128 5.753 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.407 -9.649 5.615 1.00 0.00 O ATOM 295 CG2 THR A 18 -0.571 -9.385 7.163 1.00 0.00 C ATOM 0 H THR A 18 -2.908 -7.810 4.453 1.00 0.00 H new ATOM 0 HA THR A 18 -0.754 -7.063 6.311 1.00 0.00 H new ATOM 0 HB THR A 18 -0.406 -9.629 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.370 -10.625 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.580 -10.456 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.446 -9.006 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.218 -8.877 7.878 1.00 0.00 H new ATOM 303 N ILE A 19 0.808 -6.408 4.535 1.00 0.00 N ATOM 304 CA ILE A 19 1.819 -6.065 3.552 1.00 0.00 C ATOM 305 C ILE A 19 3.150 -6.700 3.939 1.00 0.00 C ATOM 306 O ILE A 19 3.523 -6.716 5.114 1.00 0.00 O ATOM 307 CB ILE A 19 1.977 -4.530 3.425 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.847 -4.169 2.220 1.00 0.00 C ATOM 309 CG2 ILE A 19 2.567 -3.930 4.697 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.050 -2.680 2.056 1.00 0.00 C ATOM 0 H ILE A 19 0.861 -5.870 5.400 1.00 0.00 H new ATOM 0 HA ILE A 19 1.501 -6.451 2.583 1.00 0.00 H new ATOM 0 HB ILE A 19 0.983 -4.108 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.819 -4.652 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.387 -4.568 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.666 -2.851 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.909 -4.143 5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.548 -4.366 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.676 -2.492 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.084 -2.194 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.537 -2.279 2.945 1.00 0.00 H new ATOM 322 N SER A 20 3.852 -7.242 2.962 1.00 0.00 N ATOM 323 CA SER A 20 5.120 -7.892 3.223 1.00 0.00 C ATOM 324 C SER A 20 6.239 -7.169 2.475 1.00 0.00 C ATOM 325 O SER A 20 6.064 -6.739 1.335 1.00 0.00 O ATOM 326 CB SER A 20 5.047 -9.371 2.820 1.00 0.00 C ATOM 327 OG SER A 20 6.176 -10.092 3.288 1.00 0.00 O ATOM 0 H SER A 20 3.566 -7.245 1.983 1.00 0.00 H new ATOM 0 HA SER A 20 5.338 -7.844 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.137 -9.815 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.987 -9.451 1.735 1.00 0.00 H new ATOM 0 HG SER A 20 6.541 -10.637 2.560 1.00 0.00 H new ATOM 333 N LEU A 21 7.374 -7.003 3.137 1.00 0.00 N ATOM 334 CA LEU A 21 8.509 -6.295 2.556 1.00 0.00 C ATOM 335 C LEU A 21 9.709 -7.220 2.432 1.00 0.00 C ATOM 336 O LEU A 21 9.701 -8.330 2.963 1.00 0.00 O ATOM 337 CB LEU A 21 8.897 -5.081 3.412 1.00 0.00 C ATOM 338 CG LEU A 21 8.031 -3.826 3.243 1.00 0.00 C ATOM 339 CD1 LEU A 21 6.612 -4.052 3.741 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.665 -2.654 3.973 1.00 0.00 C ATOM 0 H LEU A 21 7.536 -7.350 4.082 1.00 0.00 H new ATOM 0 HA LEU A 21 8.210 -5.952 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.868 -5.378 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.930 -4.817 3.184 1.00 0.00 H new ATOM 0 HG LEU A 21 7.975 -3.600 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.029 -3.141 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.153 -4.864 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.635 -4.313 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.043 -1.768 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.751 -2.890 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.656 -2.463 3.562 1.00 0.00 H new ATOM 352 N GLN A 22 10.755 -6.741 1.759 1.00 0.00 N ATOM 353 CA GLN A 22 11.990 -7.507 1.595 1.00 0.00 C ATOM 354 C GLN A 22 12.694 -7.687 2.937 1.00 0.00 C ATOM 355 O GLN A 22 13.590 -8.516 3.079 1.00 0.00 O ATOM 356 CB GLN A 22 12.930 -6.810 0.610 1.00 0.00 C ATOM 357 CG GLN A 22 12.312 -6.566 -0.757 1.00 0.00 C ATOM 358 CD GLN A 22 13.294 -5.972 -1.748 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.226 -5.260 -1.372 1.00 0.00 O ATOM 360 NE2 GLN A 22 13.087 -6.257 -3.022 1.00 0.00 N ATOM 0 H GLN A 22 10.771 -5.822 1.317 1.00 0.00 H new ATOM 0 HA GLN A 22 11.727 -8.488 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.242 -5.855 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.829 -7.415 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.930 -7.508 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.459 -5.895 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.303 -6.851 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.712 -5.883 -3.736 1.00 0.00 H new ATOM 369 N ASN A 23 12.274 -6.899 3.921 1.00 0.00 N ATOM 370 CA ASN A 23 12.819 -6.983 5.271 1.00 0.00 C ATOM 371 C ASN A 23 12.214 -8.165 6.023 1.00 0.00 C ATOM 372 O ASN A 23 12.573 -8.430 7.172 1.00 0.00 O ATOM 373 CB ASN A 23 12.542 -5.685 6.038 1.00 0.00 C ATOM 374 CG ASN A 23 13.242 -4.484 5.431 1.00 0.00 C ATOM 375 OD1 ASN A 23 12.733 -3.864 4.499 1.00 0.00 O ATOM 376 ND2 ASN A 23 14.399 -4.131 5.972 1.00 0.00 N ATOM 0 H ASN A 23 11.551 -6.189 3.807 1.00 0.00 H new ATOM 0 HA ASN A 23 13.896 -7.130 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.468 -5.502 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.864 -5.803 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.901 -3.318 5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.787 -4.673 6.744 1.00 0.00 H new ATOM 383 N GLY A 24 11.294 -8.868 5.366 1.00 0.00 N ATOM 384 CA GLY A 24 10.651 -10.018 5.971 1.00 0.00 C ATOM 385 C GLY A 24 9.754 -9.634 7.129 1.00 0.00 C ATOM 386 O GLY A 24 9.838 -10.219 8.207 1.00 0.00 O ATOM 0 H GLY A 24 10.982 -8.657 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.063 -10.541 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.413 -10.715 6.320 1.00 0.00 H new ATOM 390 N ALA A 25 8.898 -8.647 6.911 1.00 0.00 N ATOM 391 CA ALA A 25 8.004 -8.175 7.958 1.00 0.00 C ATOM 392 C ALA A 25 6.610 -7.887 7.412 1.00 0.00 C ATOM 393 O ALA A 25 6.383 -6.852 6.778 1.00 0.00 O ATOM 394 CB ALA A 25 8.576 -6.933 8.623 1.00 0.00 C ATOM 0 H ALA A 25 8.803 -8.158 6.021 1.00 0.00 H new ATOM 0 HA ALA A 25 7.916 -8.967 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.896 -6.592 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.545 -7.169 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.698 -6.146 7.879 1.00 0.00 H new ATOM 400 N PRO A 26 5.671 -8.821 7.618 1.00 0.00 N ATOM 401 CA PRO A 26 4.267 -8.639 7.265 1.00 0.00 C ATOM 402 C PRO A 26 3.531 -7.811 8.313 1.00 0.00 C ATOM 403 O PRO A 26 3.424 -8.212 9.473 1.00 0.00 O ATOM 404 CB PRO A 26 3.708 -10.071 7.219 1.00 0.00 C ATOM 405 CG PRO A 26 4.870 -10.977 7.488 1.00 0.00 C ATOM 406 CD PRO A 26 5.899 -10.144 8.195 1.00 0.00 C ATOM 0 HA PRO A 26 4.145 -8.102 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.925 -10.208 7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.263 -10.285 6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.568 -11.825 8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.270 -11.383 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.754 -10.148 9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.912 -10.501 8.008 1.00 0.00 H new ATOM 414 N ARG A 27 3.045 -6.651 7.906 1.00 0.00 N ATOM 415 CA ARG A 27 2.332 -5.763 8.814 1.00 0.00 C ATOM 416 C ARG A 27 0.873 -5.636 8.426 1.00 0.00 C ATOM 417 O ARG A 27 0.535 -5.624 7.242 1.00 0.00 O ATOM 418 CB ARG A 27 2.974 -4.379 8.839 1.00 0.00 C ATOM 419 CG ARG A 27 4.187 -4.292 9.740 1.00 0.00 C ATOM 420 CD ARG A 27 4.798 -2.905 9.703 1.00 0.00 C ATOM 421 NE ARG A 27 5.851 -2.754 10.698 1.00 0.00 N ATOM 422 CZ ARG A 27 7.149 -2.755 10.413 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.563 -2.930 9.164 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.035 -2.605 11.383 1.00 0.00 N ATOM 0 H ARG A 27 3.130 -6.300 6.952 1.00 0.00 H new ATOM 0 HA ARG A 27 2.393 -6.203 9.810 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.264 -4.103 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.234 -3.650 9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.902 -4.540 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.929 -5.028 9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.205 -2.713 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.022 -2.160 9.879 1.00 0.00 H new ATOM 0 HE ARG A 27 5.575 -2.641 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.883 -3.065 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.561 -2.930 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.721 -2.489 12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.032 -2.605 11.168 1.00 0.00 H new ATOM 438 N ILE A 28 0.020 -5.543 9.434 1.00 0.00 N ATOM 439 CA ILE A 28 -1.405 -5.373 9.227 1.00 0.00 C ATOM 440 C ILE A 28 -1.792 -3.905 9.355 1.00 0.00 C ATOM 441 O ILE A 28 -1.635 -3.302 10.419 1.00 0.00 O ATOM 442 CB ILE A 28 -2.225 -6.199 10.242 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.835 -7.678 10.170 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.714 -6.027 9.983 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.542 -8.546 11.188 1.00 0.00 C ATOM 0 H ILE A 28 0.297 -5.583 10.415 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.630 -5.727 8.221 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.003 -5.834 11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.055 -8.054 9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.758 -7.768 10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.279 -6.615 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.981 -4.975 10.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.950 -6.368 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.214 -9.579 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.303 -8.197 12.193 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.619 -8.488 11.031 1.00 0.00 H new ATOM 457 N PHE A 29 -2.275 -3.328 8.267 1.00 0.00 N ATOM 458 CA PHE A 29 -2.777 -1.965 8.290 1.00 0.00 C ATOM 459 C PHE A 29 -4.227 -1.954 8.741 1.00 0.00 C ATOM 460 O PHE A 29 -5.042 -2.741 8.259 1.00 0.00 O ATOM 461 CB PHE A 29 -2.664 -1.306 6.915 1.00 0.00 C ATOM 462 CG PHE A 29 -1.253 -1.046 6.476 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.377 -0.355 7.297 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.807 -1.481 5.240 1.00 0.00 C ATOM 465 CE1 PHE A 29 0.919 -0.104 6.892 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.488 -1.235 4.831 1.00 0.00 C ATOM 467 CZ PHE A 29 1.352 -0.546 5.659 1.00 0.00 C ATOM 0 H PHE A 29 -2.330 -3.783 7.356 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.168 -1.396 8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.151 -1.943 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.209 -0.362 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.711 -0.009 8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.480 -2.019 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.593 0.438 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.825 -1.581 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.366 -0.353 5.342 1.00 0.00 H new ATOM 477 N ASN A 30 -4.546 -1.065 9.664 1.00 0.00 N ATOM 478 CA ASN A 30 -5.900 -0.956 10.173 1.00 0.00 C ATOM 479 C ASN A 30 -6.707 -0.061 9.251 1.00 0.00 C ATOM 480 O ASN A 30 -7.902 -0.273 9.036 1.00 0.00 O ATOM 481 CB ASN A 30 -5.908 -0.382 11.594 1.00 0.00 C ATOM 482 CG ASN A 30 -4.969 -1.118 12.528 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.336 -2.130 13.127 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.757 -0.601 12.681 1.00 0.00 N ATOM 0 H ASN A 30 -3.884 -0.407 10.077 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.344 -1.951 10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.627 0.670 11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.921 -0.427 11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.090 -1.043 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.492 0.239 12.166 1.00 0.00 H new ATOM 491 N GLY A 31 -6.038 0.937 8.699 1.00 0.00 N ATOM 492 CA GLY A 31 -6.689 1.852 7.800 1.00 0.00 C ATOM 493 C GLY A 31 -5.800 2.268 6.655 1.00 0.00 C ATOM 494 O GLY A 31 -4.640 1.860 6.579 1.00 0.00 O ATOM 0 H GLY A 31 -5.049 1.127 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.592 1.387 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.003 2.738 8.352 1.00 0.00 H new ATOM 498 N VAL A 32 -6.340 3.095 5.773 1.00 0.00 N ATOM 499 CA VAL A 32 -5.634 3.484 4.565 1.00 0.00 C ATOM 500 C VAL A 32 -4.581 4.554 4.858 1.00 0.00 C ATOM 501 O VAL A 32 -3.595 4.680 4.132 1.00 0.00 O ATOM 502 CB VAL A 32 -6.612 3.999 3.487 1.00 0.00 C ATOM 503 CG1 VAL A 32 -5.901 4.181 2.157 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.796 3.054 3.335 1.00 0.00 C ATOM 0 H VAL A 32 -7.267 3.510 5.873 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.132 2.593 4.187 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.989 4.970 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.609 4.544 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.093 4.903 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.490 3.226 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.472 3.437 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.438 2.067 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.327 2.980 4.284 1.00 0.00 H new ATOM 514 N TYR A 33 -4.774 5.311 5.934 1.00 0.00 N ATOM 515 CA TYR A 33 -3.836 6.373 6.272 1.00 0.00 C ATOM 516 C TYR A 33 -2.496 5.785 6.689 1.00 0.00 C ATOM 517 O TYR A 33 -1.446 6.268 6.274 1.00 0.00 O ATOM 518 CB TYR A 33 -4.377 7.278 7.380 1.00 0.00 C ATOM 519 CG TYR A 33 -3.467 8.453 7.668 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.444 9.556 6.825 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.618 8.452 8.768 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.602 10.623 7.067 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.774 9.517 9.020 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.770 10.601 8.166 1.00 0.00 C ATOM 525 OH TYR A 33 -0.925 11.661 8.403 1.00 0.00 O ATOM 0 H TYR A 33 -5.559 5.211 6.577 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.700 6.983 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.362 7.647 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.508 6.693 8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.096 9.580 5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.618 7.605 9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.595 11.471 6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.121 9.501 9.880 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.407 11.490 9.217 1.00 0.00 H new ATOM 535 N GLU A 34 -2.542 4.737 7.504 1.00 0.00 N ATOM 536 CA GLU A 34 -1.330 4.041 7.927 1.00 0.00 C ATOM 537 C GLU A 34 -0.583 3.499 6.715 1.00 0.00 C ATOM 538 O GLU A 34 0.645 3.530 6.664 1.00 0.00 O ATOM 539 CB GLU A 34 -1.678 2.896 8.874 1.00 0.00 C ATOM 540 CG GLU A 34 -2.349 3.353 10.155 1.00 0.00 C ATOM 541 CD GLU A 34 -3.033 2.215 10.876 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.895 1.567 10.260 1.00 0.00 O ATOM 543 OE2 GLU A 34 -2.714 1.966 12.056 1.00 0.00 O ATOM 0 H GLU A 34 -3.405 4.350 7.886 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.690 4.751 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.335 2.196 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.767 2.352 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.605 3.803 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.081 4.127 9.924 1.00 0.00 H new ATOM 550 N ALA A 35 -1.342 3.016 5.739 1.00 0.00 N ATOM 551 CA ALA A 35 -0.770 2.506 4.503 1.00 0.00 C ATOM 552 C ALA A 35 -0.051 3.616 3.743 1.00 0.00 C ATOM 553 O ALA A 35 1.111 3.468 3.363 1.00 0.00 O ATOM 554 CB ALA A 35 -1.858 1.881 3.642 1.00 0.00 C ATOM 0 H ALA A 35 -2.360 2.968 5.782 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.037 1.738 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.419 1.502 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.325 1.060 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.610 2.633 3.404 1.00 0.00 H new ATOM 560 N PHE A 36 -0.742 4.735 3.548 1.00 0.00 N ATOM 561 CA PHE A 36 -0.174 5.877 2.837 1.00 0.00 C ATOM 562 C PHE A 36 1.031 6.441 3.584 1.00 0.00 C ATOM 563 O PHE A 36 2.063 6.742 2.979 1.00 0.00 O ATOM 564 CB PHE A 36 -1.230 6.972 2.650 1.00 0.00 C ATOM 565 CG PHE A 36 -0.707 8.194 1.947 1.00 0.00 C ATOM 566 CD1 PHE A 36 -0.338 8.137 0.612 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.570 9.395 2.627 1.00 0.00 C ATOM 568 CE1 PHE A 36 0.156 9.255 -0.032 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.074 10.515 1.986 1.00 0.00 C ATOM 570 CZ PHE A 36 0.290 10.445 0.656 1.00 0.00 C ATOM 0 H PHE A 36 -1.698 4.876 3.873 1.00 0.00 H new ATOM 0 HA PHE A 36 0.156 5.531 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.067 6.566 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.618 7.262 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.438 7.209 0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.854 9.456 3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.437 9.198 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.029 11.445 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.679 11.319 0.155 1.00 0.00 H new ATOM 580 N ASP A 37 0.893 6.577 4.898 1.00 0.00 N ATOM 581 CA ASP A 37 1.964 7.112 5.730 1.00 0.00 C ATOM 582 C ASP A 37 3.193 6.221 5.642 1.00 0.00 C ATOM 583 O ASP A 37 4.316 6.709 5.530 1.00 0.00 O ATOM 584 CB ASP A 37 1.506 7.244 7.188 1.00 0.00 C ATOM 585 CG ASP A 37 2.545 7.914 8.067 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.790 9.127 7.883 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.110 7.239 8.955 1.00 0.00 O ATOM 0 H ASP A 37 0.048 6.324 5.411 1.00 0.00 H new ATOM 0 HA ASP A 37 2.222 8.105 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.580 7.818 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.282 6.254 7.586 1.00 0.00 H new ATOM 592 N PHE A 38 2.968 4.913 5.662 1.00 0.00 N ATOM 593 CA PHE A 38 4.049 3.944 5.545 1.00 0.00 C ATOM 594 C PHE A 38 4.766 4.095 4.207 1.00 0.00 C ATOM 595 O PHE A 38 5.996 4.144 4.158 1.00 0.00 O ATOM 596 CB PHE A 38 3.502 2.522 5.694 1.00 0.00 C ATOM 597 CG PHE A 38 4.560 1.455 5.648 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.467 1.320 6.685 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.640 0.582 4.573 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.437 0.336 6.652 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.608 -0.401 4.535 1.00 0.00 C ATOM 602 CZ PHE A 38 6.507 -0.524 5.576 1.00 0.00 C ATOM 0 H PHE A 38 2.041 4.498 5.759 1.00 0.00 H new ATOM 0 HA PHE A 38 4.767 4.132 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.965 2.447 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.778 2.337 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.416 1.991 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.938 0.672 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.139 0.241 7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.662 -1.074 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.265 -1.293 5.548 1.00 0.00 H new ATOM 612 N LEU A 39 3.987 4.187 3.131 1.00 0.00 N ATOM 613 CA LEU A 39 4.540 4.331 1.787 1.00 0.00 C ATOM 614 C LEU A 39 5.372 5.603 1.673 1.00 0.00 C ATOM 615 O LEU A 39 6.492 5.582 1.161 1.00 0.00 O ATOM 616 CB LEU A 39 3.420 4.365 0.743 1.00 0.00 C ATOM 617 CG LEU A 39 2.547 3.111 0.663 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.454 3.301 -0.377 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.390 1.886 0.335 1.00 0.00 C ATOM 0 H LEU A 39 2.968 4.164 3.165 1.00 0.00 H new ATOM 0 HA LEU A 39 5.181 3.469 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.777 5.219 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.867 4.537 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 39 2.082 2.950 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.838 2.403 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.832 4.152 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.907 3.484 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.749 1.006 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.885 2.031 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.141 1.742 1.112 1.00 0.00 H new ATOM 631 N GLN A 40 4.817 6.709 2.153 1.00 0.00 N ATOM 632 CA GLN A 40 5.494 7.995 2.079 1.00 0.00 C ATOM 633 C GLN A 40 6.727 8.011 2.977 1.00 0.00 C ATOM 634 O GLN A 40 7.765 8.562 2.609 1.00 0.00 O ATOM 635 CB GLN A 40 4.537 9.126 2.471 1.00 0.00 C ATOM 636 CG GLN A 40 5.148 10.512 2.341 1.00 0.00 C ATOM 637 CD GLN A 40 4.181 11.621 2.710 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.970 11.496 2.532 1.00 0.00 O ATOM 639 NE2 GLN A 40 4.710 12.714 3.231 1.00 0.00 N ATOM 0 H GLN A 40 3.900 6.740 2.598 1.00 0.00 H new ATOM 0 HA GLN A 40 5.817 8.150 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.646 9.070 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.213 8.976 3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.028 10.577 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.487 10.659 1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.719 12.779 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.109 13.492 3.501 1.00 0.00 H new ATOM 648 N HIS A 41 6.613 7.388 4.146 1.00 0.00 N ATOM 649 CA HIS A 41 7.712 7.350 5.105 1.00 0.00 C ATOM 650 C HIS A 41 8.862 6.512 4.583 1.00 0.00 C ATOM 651 O HIS A 41 9.968 7.018 4.394 1.00 0.00 O ATOM 652 CB HIS A 41 7.253 6.794 6.456 1.00 0.00 C ATOM 653 CG HIS A 41 6.634 7.814 7.358 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.681 7.722 8.728 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.943 8.944 7.082 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.048 8.749 9.259 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.588 9.511 8.282 1.00 0.00 N ATOM 0 H HIS A 41 5.770 6.902 4.452 1.00 0.00 H new ATOM 0 HA HIS A 41 8.051 8.377 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.533 5.994 6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.109 6.348 6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.713 9.329 6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.926 8.936 10.316 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.058 10.375 8.399 1.00 0.00 H new ATOM 666 N GLU A 42 8.605 5.235 4.343 1.00 0.00 N ATOM 667 CA GLU A 42 9.650 4.339 3.894 1.00 0.00 C ATOM 668 C GLU A 42 9.079 3.127 3.168 1.00 0.00 C ATOM 669 O GLU A 42 8.813 2.086 3.770 1.00 0.00 O ATOM 670 CB GLU A 42 10.517 3.895 5.073 1.00 0.00 C ATOM 671 CG GLU A 42 11.677 3.004 4.670 1.00 0.00 C ATOM 672 CD GLU A 42 12.565 2.644 5.838 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.152 1.809 6.672 1.00 0.00 O ATOM 674 OE2 GLU A 42 13.684 3.190 5.925 1.00 0.00 O ATOM 0 H GLU A 42 7.688 4.802 4.452 1.00 0.00 H new ATOM 0 HA GLU A 42 10.271 4.887 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.906 4.778 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.894 3.363 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.289 2.091 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.271 3.509 3.909 1.00 0.00 H new ATOM 681 N TRP A 43 8.848 3.294 1.878 1.00 0.00 N ATOM 682 CA TRP A 43 8.551 2.175 1.001 1.00 0.00 C ATOM 683 C TRP A 43 9.817 1.822 0.228 1.00 0.00 C ATOM 684 O TRP A 43 10.268 2.596 -0.619 1.00 0.00 O ATOM 685 CB TRP A 43 7.399 2.529 0.052 1.00 0.00 C ATOM 686 CG TRP A 43 7.017 1.428 -0.895 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.057 1.477 -2.259 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.529 0.121 -0.558 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.628 0.287 -2.790 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.297 -0.562 -1.769 1.00 0.00 C ATOM 691 CE3 TRP A 43 6.267 -0.541 0.646 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.817 -1.868 -1.809 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.790 -1.834 0.602 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.568 -2.487 -0.617 1.00 0.00 C ATOM 0 H TRP A 43 8.861 4.201 1.412 1.00 0.00 H new ATOM 0 HA TRP A 43 8.233 1.312 1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.526 2.801 0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.678 3.409 -0.527 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.380 2.330 -2.837 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.566 0.070 -3.785 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.435 -0.049 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.648 -2.373 -2.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.583 -2.354 1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.193 -3.500 -0.615 1.00 0.00 H new ATOM 705 N PRO A 44 10.415 0.658 0.524 1.00 0.00 N ATOM 706 CA PRO A 44 11.726 0.260 -0.017 1.00 0.00 C ATOM 707 C PRO A 44 11.684 -0.157 -1.487 1.00 0.00 C ATOM 708 O PRO A 44 12.465 -1.002 -1.921 1.00 0.00 O ATOM 709 CB PRO A 44 12.108 -0.933 0.859 1.00 0.00 C ATOM 710 CG PRO A 44 10.807 -1.528 1.263 1.00 0.00 C ATOM 711 CD PRO A 44 9.860 -0.371 1.424 1.00 0.00 C ATOM 0 HA PRO A 44 12.433 1.089 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.719 -1.649 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.688 -0.619 1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.446 -2.227 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.905 -2.086 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.843 -0.643 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.823 -0.023 2.456 1.00 0.00 H new ATOM 719 N ALA A 45 10.796 0.455 -2.249 1.00 0.00 N ATOM 720 CA ALA A 45 10.681 0.178 -3.668 1.00 0.00 C ATOM 721 C ALA A 45 10.302 1.448 -4.413 1.00 0.00 C ATOM 722 O ALA A 45 9.409 2.182 -3.993 1.00 0.00 O ATOM 723 CB ALA A 45 9.660 -0.920 -3.917 1.00 0.00 C ATOM 0 H ALA A 45 10.138 1.154 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 45 11.645 -0.170 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.588 -1.114 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.972 -1.830 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.687 -0.605 -3.539 1.00 0.00 H new ATOM 729 N ARG A 46 11.001 1.722 -5.499 1.00 0.00 N ATOM 730 CA ARG A 46 10.753 2.917 -6.290 1.00 0.00 C ATOM 731 C ARG A 46 10.769 2.572 -7.771 1.00 0.00 C ATOM 732 O ARG A 46 11.355 1.567 -8.175 1.00 0.00 O ATOM 733 CB ARG A 46 11.803 3.985 -5.975 1.00 0.00 C ATOM 734 CG ARG A 46 11.666 4.580 -4.582 1.00 0.00 C ATOM 735 CD ARG A 46 13.007 5.046 -4.039 1.00 0.00 C ATOM 736 NE ARG A 46 13.952 3.935 -3.932 1.00 0.00 N ATOM 737 CZ ARG A 46 14.308 3.360 -2.782 1.00 0.00 C ATOM 738 NH1 ARG A 46 13.833 3.815 -1.625 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.134 2.322 -2.790 1.00 0.00 N ATOM 0 H ARG A 46 11.750 1.130 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 46 9.770 3.314 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.796 3.548 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.728 4.785 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.973 5.420 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.238 3.837 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.419 5.815 -4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.866 5.502 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 46 14.366 3.576 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.192 4.609 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.110 3.370 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.496 1.965 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.407 1.881 -1.912 1.00 0.00 H new ATOM 753 N GLY A 47 10.129 3.402 -8.575 1.00 0.00 N ATOM 754 CA GLY A 47 10.060 3.143 -9.996 1.00 0.00 C ATOM 755 C GLY A 47 9.395 4.269 -10.749 1.00 0.00 C ATOM 756 O GLY A 47 10.026 5.282 -11.037 1.00 0.00 O ATOM 0 H GLY A 47 9.655 4.252 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.067 2.993 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.510 2.218 -10.169 1.00 0.00 H new ATOM 760 N ASP A 48 8.114 4.110 -11.050 1.00 0.00 N ATOM 761 CA ASP A 48 7.390 5.112 -11.817 1.00 0.00 C ATOM 762 C ASP A 48 5.906 5.154 -11.425 1.00 0.00 C ATOM 763 O ASP A 48 5.559 5.649 -10.351 1.00 0.00 O ATOM 764 CB ASP A 48 7.563 4.840 -13.319 1.00 0.00 C ATOM 765 CG ASP A 48 6.912 5.887 -14.199 1.00 0.00 C ATOM 766 OD1 ASP A 48 7.365 7.050 -14.190 1.00 0.00 O ATOM 767 OD2 ASP A 48 5.945 5.548 -14.905 1.00 0.00 O ATOM 0 H ASP A 48 7.557 3.300 -10.776 1.00 0.00 H new ATOM 0 HA ASP A 48 7.807 6.093 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.627 4.791 -13.552 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.140 3.864 -13.555 1.00 0.00 H new ATOM 772 N ARG A 49 5.041 4.588 -12.261 1.00 0.00 N ATOM 773 CA ARG A 49 3.597 4.726 -12.081 1.00 0.00 C ATOM 774 C ARG A 49 3.057 3.807 -10.998 1.00 0.00 C ATOM 775 O ARG A 49 2.088 4.150 -10.329 1.00 0.00 O ATOM 776 CB ARG A 49 2.859 4.474 -13.395 1.00 0.00 C ATOM 777 CG ARG A 49 2.939 5.639 -14.364 1.00 0.00 C ATOM 778 CD ARG A 49 2.284 5.309 -15.692 1.00 0.00 C ATOM 779 NE ARG A 49 2.324 6.439 -16.618 1.00 0.00 N ATOM 780 CZ ARG A 49 2.436 6.315 -17.939 1.00 0.00 C ATOM 781 NH1 ARG A 49 2.522 5.110 -18.491 1.00 0.00 N ATOM 782 NH2 ARG A 49 2.459 7.399 -18.706 1.00 0.00 N ATOM 0 H ARG A 49 5.313 4.029 -13.070 1.00 0.00 H new ATOM 0 HA ARG A 49 3.419 5.752 -11.760 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.274 3.586 -13.871 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.812 4.261 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.454 6.511 -13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.983 5.904 -14.529 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.788 4.454 -16.142 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.248 5.016 -15.522 1.00 0.00 H new ATOM 0 HE ARG A 49 2.262 7.380 -16.229 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.502 4.277 -17.903 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.608 5.018 -19.503 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.391 8.325 -18.283 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.545 7.306 -19.718 1.00 0.00 H new ATOM 796 N ALA A 50 3.675 2.646 -10.820 1.00 0.00 N ATOM 797 CA ALA A 50 3.236 1.708 -9.791 1.00 0.00 C ATOM 798 C ALA A 50 3.363 2.335 -8.405 1.00 0.00 C ATOM 799 O ALA A 50 2.575 2.049 -7.503 1.00 0.00 O ATOM 800 CB ALA A 50 4.032 0.416 -9.867 1.00 0.00 C ATOM 0 H ALA A 50 4.475 2.332 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 50 2.186 1.473 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.689 -0.269 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.889 -0.043 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.090 0.631 -9.719 1.00 0.00 H new ATOM 806 N HIS A 51 4.347 3.212 -8.253 1.00 0.00 N ATOM 807 CA HIS A 51 4.557 3.917 -6.996 1.00 0.00 C ATOM 808 C HIS A 51 3.551 5.063 -6.874 1.00 0.00 C ATOM 809 O HIS A 51 2.967 5.285 -5.808 1.00 0.00 O ATOM 810 CB HIS A 51 5.991 4.453 -6.933 1.00 0.00 C ATOM 811 CG HIS A 51 6.420 4.912 -5.570 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.362 6.223 -5.160 1.00 0.00 N ATOM 813 CD2 HIS A 51 6.945 4.221 -4.532 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.836 6.321 -3.932 1.00 0.00 C ATOM 815 NE2 HIS A 51 7.199 5.119 -3.524 1.00 0.00 N ATOM 0 H HIS A 51 5.014 3.452 -8.987 1.00 0.00 H new ATOM 0 HA HIS A 51 4.407 3.228 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.673 3.673 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.086 5.285 -7.630 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.131 3.157 -4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.914 7.232 -3.357 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.600 4.895 -2.614 1.00 0.00 H new ATOM 824 N GLU A 52 3.346 5.773 -7.984 1.00 0.00 N ATOM 825 CA GLU A 52 2.392 6.878 -8.034 1.00 0.00 C ATOM 826 C GLU A 52 0.975 6.389 -7.736 1.00 0.00 C ATOM 827 O GLU A 52 0.272 6.971 -6.909 1.00 0.00 O ATOM 828 CB GLU A 52 2.421 7.559 -9.407 1.00 0.00 C ATOM 829 CG GLU A 52 3.756 8.203 -9.753 1.00 0.00 C ATOM 830 CD GLU A 52 3.748 8.872 -11.117 1.00 0.00 C ATOM 831 OE1 GLU A 52 2.778 8.678 -11.875 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.710 9.606 -11.434 1.00 0.00 O ATOM 0 H GLU A 52 3.831 5.600 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 52 2.684 7.601 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.176 6.822 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.643 8.322 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.006 8.942 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.538 7.444 -9.730 1.00 0.00 H new ATOM 839 N GLN A 53 0.571 5.312 -8.408 1.00 0.00 N ATOM 840 CA GLN A 53 -0.764 4.745 -8.235 1.00 0.00 C ATOM 841 C GLN A 53 -1.022 4.373 -6.784 1.00 0.00 C ATOM 842 O GLN A 53 -2.094 4.654 -6.252 1.00 0.00 O ATOM 843 CB GLN A 53 -0.958 3.515 -9.122 1.00 0.00 C ATOM 844 CG GLN A 53 -1.094 3.840 -10.600 1.00 0.00 C ATOM 845 CD GLN A 53 -1.350 2.608 -11.447 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.897 1.508 -11.130 1.00 0.00 O ATOM 847 NE2 GLN A 53 -2.090 2.783 -12.529 1.00 0.00 N ATOM 0 H GLN A 53 1.153 4.813 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.480 5.512 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.112 2.842 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.849 2.979 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.911 4.548 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.184 4.331 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.447 3.711 -12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.304 1.990 -13.134 1.00 0.00 H new ATOM 856 N ALA A 54 -0.036 3.749 -6.146 1.00 0.00 N ATOM 857 CA ALA A 54 -0.160 3.356 -4.746 1.00 0.00 C ATOM 858 C ALA A 54 -0.504 4.559 -3.874 1.00 0.00 C ATOM 859 O ALA A 54 -1.390 4.490 -3.022 1.00 0.00 O ATOM 860 CB ALA A 54 1.123 2.698 -4.259 1.00 0.00 C ATOM 0 H ALA A 54 0.856 3.505 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.972 2.633 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.011 2.412 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.327 1.810 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.951 3.400 -4.357 1.00 0.00 H new ATOM 866 N LEU A 55 0.185 5.669 -4.113 1.00 0.00 N ATOM 867 CA LEU A 55 -0.059 6.895 -3.363 1.00 0.00 C ATOM 868 C LEU A 55 -1.447 7.457 -3.674 1.00 0.00 C ATOM 869 O LEU A 55 -2.162 7.907 -2.777 1.00 0.00 O ATOM 870 CB LEU A 55 1.013 7.939 -3.686 1.00 0.00 C ATOM 871 CG LEU A 55 2.453 7.506 -3.401 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.426 8.610 -3.776 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.618 7.124 -1.937 1.00 0.00 C ATOM 0 H LEU A 55 0.916 5.745 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.013 6.657 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.933 8.204 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.802 8.842 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 55 2.674 6.630 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.445 8.284 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.329 8.836 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.204 9.504 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.648 6.819 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.376 7.981 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.948 6.298 -1.699 1.00 0.00 H new ATOM 885 N ARG A 56 -1.823 7.408 -4.949 1.00 0.00 N ATOM 886 CA ARG A 56 -3.109 7.938 -5.400 1.00 0.00 C ATOM 887 C ARG A 56 -4.270 7.134 -4.823 1.00 0.00 C ATOM 888 O ARG A 56 -5.230 7.704 -4.303 1.00 0.00 O ATOM 889 CB ARG A 56 -3.176 7.940 -6.932 1.00 0.00 C ATOM 890 CG ARG A 56 -2.129 8.831 -7.578 1.00 0.00 C ATOM 891 CD ARG A 56 -2.178 8.762 -9.097 1.00 0.00 C ATOM 892 NE ARG A 56 -1.149 9.605 -9.708 1.00 0.00 N ATOM 893 CZ ARG A 56 -0.651 9.425 -10.931 1.00 0.00 C ATOM 894 NH1 ARG A 56 -1.126 8.470 -11.722 1.00 0.00 N ATOM 895 NH2 ARG A 56 0.313 10.221 -11.369 1.00 0.00 N ATOM 0 H ARG A 56 -1.253 7.005 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.195 8.963 -5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.050 6.920 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.167 8.270 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.282 9.861 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.138 8.534 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.042 7.730 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.162 9.078 -9.445 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.788 10.385 -9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.880 7.865 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.737 8.341 -12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.670 10.966 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.698 10.088 -12.304 1.00 0.00 H new ATOM 909 N LEU A 57 -4.164 5.812 -4.902 1.00 0.00 N ATOM 910 CA LEU A 57 -5.207 4.918 -4.406 1.00 0.00 C ATOM 911 C LEU A 57 -5.465 5.144 -2.921 1.00 0.00 C ATOM 912 O LEU A 57 -6.615 5.151 -2.471 1.00 0.00 O ATOM 913 CB LEU A 57 -4.808 3.460 -4.644 1.00 0.00 C ATOM 914 CG LEU A 57 -4.687 3.050 -6.112 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.996 1.702 -6.232 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.059 3.000 -6.767 1.00 0.00 C ATOM 0 H LEU A 57 -3.361 5.332 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.125 5.137 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.853 3.276 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.543 2.815 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.084 3.797 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.918 1.425 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.998 1.765 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.576 0.947 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.953 2.706 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.684 2.274 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.524 3.984 -6.712 1.00 0.00 H new ATOM 928 N CYS A 58 -4.393 5.340 -2.167 1.00 0.00 N ATOM 929 CA CYS A 58 -4.505 5.554 -0.733 1.00 0.00 C ATOM 930 C CYS A 58 -5.229 6.863 -0.419 1.00 0.00 C ATOM 931 O CYS A 58 -6.155 6.887 0.392 1.00 0.00 O ATOM 932 CB CYS A 58 -3.124 5.546 -0.081 1.00 0.00 C ATOM 933 SG CYS A 58 -2.234 3.984 -0.264 1.00 0.00 S ATOM 0 H CYS A 58 -3.438 5.355 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.095 4.735 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.524 6.347 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.233 5.768 0.981 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.564 3.994 -1.378 1.00 0.00 H new ATOM 939 N ARG A 59 -4.829 7.948 -1.075 1.00 0.00 N ATOM 940 CA ARG A 59 -5.420 9.252 -0.796 1.00 0.00 C ATOM 941 C ARG A 59 -6.856 9.325 -1.304 1.00 0.00 C ATOM 942 O ARG A 59 -7.697 9.996 -0.709 1.00 0.00 O ATOM 943 CB ARG A 59 -4.583 10.383 -1.397 1.00 0.00 C ATOM 944 CG ARG A 59 -3.160 10.423 -0.868 1.00 0.00 C ATOM 945 CD ARG A 59 -2.590 11.833 -0.878 1.00 0.00 C ATOM 946 NE ARG A 59 -2.607 12.444 -2.207 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.261 13.710 -2.445 1.00 0.00 C ATOM 948 NH1 ARG A 59 -1.822 14.482 -1.457 1.00 0.00 N ATOM 949 NH2 ARG A 59 -2.341 14.200 -3.675 1.00 0.00 N ATOM 0 H ARG A 59 -4.107 7.951 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.432 9.378 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.557 10.270 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.068 11.336 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.140 10.031 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.529 9.772 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.162 12.456 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.565 11.808 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.900 11.869 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.748 14.107 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.559 15.449 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.667 13.609 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.076 15.168 -3.856 1.00 0.00 H new ATOM 963 N ALA A 60 -7.135 8.623 -2.397 1.00 0.00 N ATOM 964 CA ALA A 60 -8.489 8.561 -2.934 1.00 0.00 C ATOM 965 C ALA A 60 -9.427 7.891 -1.937 1.00 0.00 C ATOM 966 O ALA A 60 -10.533 8.369 -1.684 1.00 0.00 O ATOM 967 CB ALA A 60 -8.503 7.817 -4.263 1.00 0.00 C ATOM 0 H ALA A 60 -6.444 8.091 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.839 9.579 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.522 7.781 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.863 8.335 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.134 6.802 -4.116 1.00 0.00 H new ATOM 973 N SER A 61 -8.966 6.792 -1.353 1.00 0.00 N ATOM 974 CA SER A 61 -9.750 6.061 -0.368 1.00 0.00 C ATOM 975 C SER A 61 -10.024 6.925 0.861 1.00 0.00 C ATOM 976 O SER A 61 -11.105 6.855 1.446 1.00 0.00 O ATOM 977 CB SER A 61 -9.020 4.782 0.036 1.00 0.00 C ATOM 978 OG SER A 61 -8.723 3.989 -1.101 1.00 0.00 O ATOM 0 H SER A 61 -8.050 6.387 -1.546 1.00 0.00 H new ATOM 0 HA SER A 61 -10.708 5.797 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.098 5.035 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.635 4.211 0.732 1.00 0.00 H new ATOM 0 HG SER A 61 -7.968 4.383 -1.587 1.00 0.00 H new ATOM 984 N LEU A 62 -9.055 7.765 1.222 1.00 0.00 N ATOM 985 CA LEU A 62 -9.188 8.647 2.381 1.00 0.00 C ATOM 986 C LEU A 62 -10.244 9.726 2.148 1.00 0.00 C ATOM 987 O LEU A 62 -10.722 10.351 3.091 1.00 0.00 O ATOM 988 CB LEU A 62 -7.843 9.295 2.720 1.00 0.00 C ATOM 989 CG LEU A 62 -6.790 8.344 3.290 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.473 9.071 3.499 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.275 7.739 4.599 1.00 0.00 C ATOM 0 H LEU A 62 -8.167 7.853 0.727 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.512 8.035 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.442 9.757 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.014 10.096 3.439 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.629 7.538 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.736 8.379 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.118 9.461 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.619 9.896 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.514 7.064 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.462 8.535 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.197 7.184 4.424 1.00 0.00 H new ATOM 1003 N MET A 63 -10.608 9.942 0.891 1.00 0.00 N ATOM 1004 CA MET A 63 -11.639 10.915 0.557 1.00 0.00 C ATOM 1005 C MET A 63 -12.985 10.225 0.360 1.00 0.00 C ATOM 1006 O MET A 63 -14.022 10.881 0.233 1.00 0.00 O ATOM 1007 CB MET A 63 -11.256 11.695 -0.700 1.00 0.00 C ATOM 1008 CG MET A 63 -10.039 12.588 -0.517 1.00 0.00 C ATOM 1009 SD MET A 63 -9.623 13.513 -2.009 1.00 0.00 S ATOM 1010 CE MET A 63 -9.272 12.175 -3.147 1.00 0.00 C ATOM 0 H MET A 63 -10.206 9.458 0.088 1.00 0.00 H new ATOM 0 HA MET A 63 -11.726 11.616 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.061 10.991 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.103 12.308 -1.009 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.226 13.287 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.186 11.977 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.913 12.585 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.509 11.525 -2.720 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.181 11.600 -3.324 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.967 8.899 0.350 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.189 8.138 0.177 1.00 0.00 C ATOM 1022 C GLY A 64 -14.412 7.713 -1.261 1.00 0.00 C ATOM 1023 O GLY A 64 -15.464 7.168 -1.599 1.00 0.00 O ATOM 0 H GLY A 64 -12.124 8.335 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.155 7.253 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.036 8.737 0.511 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.416 7.954 -2.107 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.500 7.604 -3.525 1.00 0.00 C ATOM 1029 C ASP A 65 -13.535 6.098 -3.716 1.00 0.00 C ATOM 1030 O ASP A 65 -14.118 5.595 -4.678 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.309 8.173 -4.292 1.00 0.00 C ATOM 1032 CG ASP A 65 -12.388 9.670 -4.495 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -12.483 10.409 -3.494 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -12.334 10.113 -5.660 1.00 0.00 O ATOM 0 H ASP A 65 -12.536 8.392 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.424 8.035 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.392 7.934 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.245 7.684 -5.264 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.899 5.385 -2.802 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.819 3.938 -2.879 1.00 0.00 C ATOM 1041 C VAL A 66 -13.423 3.311 -1.628 1.00 0.00 C ATOM 1042 O VAL A 66 -13.142 3.744 -0.511 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.356 3.467 -3.042 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.291 1.958 -3.218 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.685 4.169 -4.215 1.00 0.00 C ATOM 0 H VAL A 66 -12.428 5.789 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.383 3.618 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.816 3.731 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.252 1.649 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.721 1.471 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.853 1.671 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.657 3.820 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.229 3.945 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.689 5.246 -4.045 1.00 0.00 H new ATOM 1055 N ALA A 67 -14.248 2.289 -1.823 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.940 1.620 -0.723 1.00 0.00 C ATOM 1057 C ALA A 67 -14.046 0.597 -0.018 1.00 0.00 C ATOM 1058 O ALA A 67 -14.536 -0.314 0.646 1.00 0.00 O ATOM 1059 CB ALA A 67 -16.200 0.947 -1.246 1.00 0.00 C ATOM 0 H ALA A 67 -14.457 1.901 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.206 2.377 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.714 0.449 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.858 1.697 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.932 0.212 -2.005 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.739 0.755 -0.157 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.806 -0.140 0.502 1.00 0.00 C ATOM 1067 C GLY A 68 -11.462 -1.358 -0.334 1.00 0.00 C ATOM 1068 O GLY A 68 -10.293 -1.724 -0.445 1.00 0.00 O ATOM 0 H GLY A 68 -12.304 1.489 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.891 0.405 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.232 -0.466 1.451 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.479 -1.976 -0.926 1.00 0.00 N ATOM 1073 CA GLU A 69 -12.304 -3.192 -1.727 1.00 0.00 C ATOM 1074 C GLU A 69 -11.283 -3.001 -2.843 1.00 0.00 C ATOM 1075 O GLU A 69 -10.249 -3.668 -2.867 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.639 -3.624 -2.334 1.00 0.00 C ATOM 1077 CG GLU A 69 -14.687 -4.023 -1.310 1.00 0.00 C ATOM 1078 CD GLU A 69 -16.044 -4.260 -1.939 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -16.184 -5.217 -2.730 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -16.973 -3.471 -1.671 1.00 0.00 O ATOM 0 H GLU A 69 -13.445 -1.653 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.932 -3.966 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.031 -2.807 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.465 -4.464 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.364 -4.929 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.770 -3.241 -0.555 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.584 -2.087 -3.760 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.712 -1.814 -4.900 1.00 0.00 C ATOM 1089 C ILE A 70 -9.309 -1.433 -4.435 1.00 0.00 C ATOM 1090 O ILE A 70 -8.312 -1.802 -5.052 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.284 -0.677 -5.776 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.692 -1.032 -6.265 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.364 -0.394 -6.956 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.350 0.067 -7.073 1.00 0.00 C ATOM 0 H ILE A 70 -12.431 -1.519 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.657 -2.727 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.348 0.225 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.639 -1.936 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.319 -1.263 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.784 0.410 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.382 -0.096 -6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.266 -1.293 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.343 -0.256 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.436 0.966 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.745 0.283 -7.954 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.242 -0.707 -3.328 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.970 -0.257 -2.787 1.00 0.00 C ATOM 1108 C ALA A 71 -7.160 -1.427 -2.247 1.00 0.00 C ATOM 1109 O ALA A 71 -5.942 -1.453 -2.381 1.00 0.00 O ATOM 1110 CB ALA A 71 -8.194 0.781 -1.700 1.00 0.00 C ATOM 0 H ALA A 71 -10.057 -0.417 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.402 0.201 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.232 1.108 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.724 1.637 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.787 0.344 -0.896 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.841 -2.403 -1.652 1.00 0.00 N ATOM 1117 CA ARG A 72 -7.160 -3.537 -1.042 1.00 0.00 C ATOM 1118 C ARG A 72 -6.468 -4.392 -2.102 1.00 0.00 C ATOM 1119 O ARG A 72 -5.295 -4.737 -1.962 1.00 0.00 O ATOM 1120 CB ARG A 72 -8.147 -4.385 -0.236 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.486 -5.495 0.565 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.511 -6.321 1.323 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.887 -7.387 2.109 1.00 0.00 N ATOM 1124 CZ ARG A 72 -8.401 -8.608 2.247 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -9.548 -8.919 1.659 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.771 -9.514 2.982 1.00 0.00 N ATOM 0 H ARG A 72 -8.858 -2.430 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.398 -3.150 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.698 -3.736 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.875 -4.825 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.920 -6.142 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.773 -5.063 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.083 -5.670 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.218 -6.758 0.617 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.005 -7.182 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.039 -8.222 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.939 -9.855 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.892 -9.276 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.165 -10.449 3.087 1.00 0.00 H new ATOM 1140 N THR A 73 -7.188 -4.713 -3.171 1.00 0.00 N ATOM 1141 CA THR A 73 -6.648 -5.547 -4.227 1.00 0.00 C ATOM 1142 C THR A 73 -5.576 -4.805 -5.023 1.00 0.00 C ATOM 1143 O THR A 73 -4.523 -5.362 -5.337 1.00 0.00 O ATOM 1144 CB THR A 73 -7.770 -6.022 -5.167 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.599 -4.915 -5.547 1.00 0.00 O ATOM 1146 CG2 THR A 73 -8.618 -7.091 -4.497 1.00 0.00 C ATOM 0 H THR A 73 -8.148 -4.406 -3.325 1.00 0.00 H new ATOM 0 HA THR A 73 -6.186 -6.417 -3.760 1.00 0.00 H new ATOM 0 HB THR A 73 -7.309 -6.449 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.309 -5.228 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.405 -7.412 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.991 -7.944 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.067 -6.684 -3.591 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.841 -3.538 -5.322 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.905 -2.720 -6.080 1.00 0.00 C ATOM 1156 C ALA A 74 -3.625 -2.466 -5.290 1.00 0.00 C ATOM 1157 O ALA A 74 -2.536 -2.400 -5.864 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.553 -1.406 -6.478 1.00 0.00 C ATOM 0 H ALA A 74 -6.698 -3.056 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.637 -3.267 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.841 -0.806 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.430 -1.605 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.854 -0.863 -5.582 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.759 -2.327 -3.975 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.605 -2.110 -3.110 1.00 0.00 C ATOM 1166 C PHE A 75 -1.672 -3.312 -3.168 1.00 0.00 C ATOM 1167 O PHE A 75 -0.456 -3.160 -3.290 1.00 0.00 O ATOM 1168 CB PHE A 75 -3.046 -1.860 -1.666 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.936 -1.384 -0.773 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.132 -2.287 -0.095 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.696 -0.029 -0.615 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.110 -1.847 0.721 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.677 0.416 0.200 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.118 -0.492 0.869 1.00 0.00 C ATOM 0 H PHE A 75 -4.653 -2.361 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.073 -1.227 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.847 -1.121 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.461 -2.781 -1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.307 -3.347 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.314 0.687 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.511 -2.560 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.501 1.475 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.917 -0.144 1.507 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.250 -4.507 -3.089 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.478 -5.742 -3.173 1.00 0.00 C ATOM 1186 C VAL A 76 -0.734 -5.818 -4.506 1.00 0.00 C ATOM 1187 O VAL A 76 0.424 -6.235 -4.562 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.381 -6.987 -3.009 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.580 -8.272 -3.171 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.079 -6.966 -1.657 1.00 0.00 C ATOM 0 H VAL A 76 -3.253 -4.646 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.756 -5.733 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.137 -6.958 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.241 -9.130 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.129 -8.297 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.795 -8.309 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.710 -7.849 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.333 -6.963 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.695 -6.070 -1.579 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.399 -5.386 -5.572 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.804 -5.389 -6.903 1.00 0.00 C ATOM 1202 C ALA A 77 0.388 -4.438 -6.980 1.00 0.00 C ATOM 1203 O ALA A 77 1.431 -4.781 -7.534 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.846 -5.025 -7.948 1.00 0.00 C ATOM 0 H ALA A 77 -2.354 -5.028 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.439 -6.396 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.387 -5.031 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.658 -5.751 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.241 -4.031 -7.737 1.00 0.00 H new ATOM 1210 N ALA A 78 0.236 -3.250 -6.408 1.00 0.00 N ATOM 1211 CA ALA A 78 1.303 -2.253 -6.421 1.00 0.00 C ATOM 1212 C ALA A 78 2.470 -2.684 -5.539 1.00 0.00 C ATOM 1213 O ALA A 78 3.629 -2.390 -5.831 1.00 0.00 O ATOM 1214 CB ALA A 78 0.768 -0.905 -5.964 1.00 0.00 C ATOM 0 H ALA A 78 -0.614 -2.952 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 78 1.668 -2.162 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.573 -0.170 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.029 -0.583 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.376 -0.994 -4.951 1.00 0.00 H new ATOM 1220 N SER A 79 2.157 -3.408 -4.471 1.00 0.00 N ATOM 1221 CA SER A 79 3.167 -3.839 -3.513 1.00 0.00 C ATOM 1222 C SER A 79 4.024 -4.981 -4.065 1.00 0.00 C ATOM 1223 O SER A 79 4.971 -5.423 -3.411 1.00 0.00 O ATOM 1224 CB SER A 79 2.493 -4.272 -2.207 1.00 0.00 C ATOM 1225 OG SER A 79 1.712 -3.221 -1.671 1.00 0.00 O ATOM 0 H SER A 79 1.209 -3.710 -4.247 1.00 0.00 H new ATOM 0 HA SER A 79 3.828 -2.994 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.863 -5.143 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.251 -4.573 -1.484 1.00 0.00 H new ATOM 0 HG SER A 79 0.933 -3.066 -2.245 1.00 0.00 H new ATOM 1231 N ARG A 80 3.708 -5.446 -5.277 1.00 0.00 N ATOM 1232 CA ARG A 80 4.455 -6.544 -5.887 1.00 0.00 C ATOM 1233 C ARG A 80 5.898 -6.119 -6.179 1.00 0.00 C ATOM 1234 O ARG A 80 6.756 -6.956 -6.464 1.00 0.00 O ATOM 1235 CB ARG A 80 3.765 -7.033 -7.169 1.00 0.00 C ATOM 1236 CG ARG A 80 4.103 -6.233 -8.421 1.00 0.00 C ATOM 1237 CD ARG A 80 3.274 -6.700 -9.607 1.00 0.00 C ATOM 1238 NE ARG A 80 3.817 -6.244 -10.888 1.00 0.00 N ATOM 1239 CZ ARG A 80 3.068 -5.949 -11.952 1.00 0.00 C ATOM 1240 NH1 ARG A 80 1.746 -5.957 -11.857 1.00 0.00 N ATOM 1241 NH2 ARG A 80 3.644 -5.628 -13.105 1.00 0.00 N ATOM 0 H ARG A 80 2.946 -5.082 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 80 4.477 -7.372 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.037 -8.075 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.686 -7.005 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.921 -5.174 -8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.163 -6.340 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.224 -7.789 -9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.253 -6.334 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 80 4.829 -6.146 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.300 -6.189 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.175 -5.731 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.661 -5.607 -13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.069 -5.403 -13.917 1.00 0.00 H new ATOM 1255 N GLN A 81 6.155 -4.812 -6.091 1.00 0.00 N ATOM 1256 CA GLN A 81 7.503 -4.270 -6.240 1.00 0.00 C ATOM 1257 C GLN A 81 8.455 -4.908 -5.235 1.00 0.00 C ATOM 1258 O GLN A 81 9.622 -5.160 -5.539 1.00 0.00 O ATOM 1259 CB GLN A 81 7.502 -2.757 -6.030 1.00 0.00 C ATOM 1260 CG GLN A 81 6.764 -1.978 -7.101 1.00 0.00 C ATOM 1261 CD GLN A 81 6.778 -0.485 -6.835 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.786 -0.042 -5.686 1.00 0.00 O ATOM 1263 NE2 GLN A 81 6.804 0.300 -7.897 1.00 0.00 N ATOM 0 H GLN A 81 5.439 -4.106 -5.916 1.00 0.00 H new ATOM 0 HA GLN A 81 7.840 -4.496 -7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.052 -2.537 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.534 -2.407 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.219 -2.177 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.733 -2.326 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.796 -0.107 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.832 1.313 -7.782 1.00 0.00 H new ATOM 1272 N ALA A 82 7.941 -5.180 -4.041 1.00 0.00 N ATOM 1273 CA ALA A 82 8.742 -5.754 -2.972 1.00 0.00 C ATOM 1274 C ALA A 82 9.072 -7.216 -3.252 1.00 0.00 C ATOM 1275 O ALA A 82 9.980 -7.778 -2.639 1.00 0.00 O ATOM 1276 CB ALA A 82 8.016 -5.619 -1.641 1.00 0.00 C ATOM 0 H ALA A 82 6.967 -5.010 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 82 9.681 -5.204 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.626 -6.052 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.840 -4.565 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.062 -6.143 -1.692 1.00 0.00 H new ATOM 1282 N HIS A 83 8.337 -7.817 -4.191 1.00 0.00 N ATOM 1283 CA HIS A 83 8.516 -9.226 -4.548 1.00 0.00 C ATOM 1284 C HIS A 83 8.292 -10.127 -3.342 1.00 0.00 C ATOM 1285 O HIS A 83 8.955 -11.152 -3.186 1.00 0.00 O ATOM 1286 CB HIS A 83 9.909 -9.469 -5.141 1.00 0.00 C ATOM 1287 CG HIS A 83 10.038 -9.029 -6.568 1.00 0.00 C ATOM 1288 ND1 HIS A 83 11.019 -8.173 -7.011 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.311 -9.358 -7.660 1.00 0.00 C ATOM 1290 CE1 HIS A 83 10.891 -7.998 -8.313 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.861 -8.708 -8.735 1.00 0.00 N ATOM 0 H HIS A 83 7.606 -7.344 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 83 7.771 -9.473 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.648 -8.941 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.143 -10.532 -5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.453 -10.014 -7.681 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.524 -7.377 -8.930 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.530 -8.764 -9.698 1.00 0.00 H new ATOM 1300 N CYS A 84 7.344 -9.744 -2.502 1.00 0.00 N ATOM 1301 CA CYS A 84 7.020 -10.507 -1.315 1.00 0.00 C ATOM 1302 C CYS A 84 5.637 -10.113 -0.820 1.00 0.00 C ATOM 1303 O CYS A 84 5.462 -9.076 -0.192 1.00 0.00 O ATOM 1304 CB CYS A 84 8.066 -10.272 -0.219 1.00 0.00 C ATOM 1305 SG CYS A 84 7.936 -11.409 1.180 1.00 0.00 S ATOM 0 H CYS A 84 6.783 -8.901 -2.625 1.00 0.00 H new ATOM 0 HA CYS A 84 7.024 -11.568 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.061 -10.362 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.970 -9.250 0.147 1.00 0.00 H new ATOM 0 HG CYS A 84 8.861 -11.133 2.051 1.00 0.00 H new ATOM 1311 N LEU A 85 4.656 -10.922 -1.158 1.00 0.00 N ATOM 1312 CA LEU A 85 3.287 -10.699 -0.721 1.00 0.00 C ATOM 1313 C LEU A 85 2.795 -11.914 0.048 1.00 0.00 C ATOM 1314 O LEU A 85 3.526 -12.889 0.196 1.00 0.00 O ATOM 1315 CB LEU A 85 2.381 -10.449 -1.930 1.00 0.00 C ATOM 1316 CG LEU A 85 2.769 -9.256 -2.805 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.910 -9.215 -4.058 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.631 -7.957 -2.026 1.00 0.00 C ATOM 0 H LEU A 85 4.780 -11.750 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 85 3.258 -9.823 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.375 -11.346 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.361 -10.301 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 85 3.811 -9.372 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.199 -8.360 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.053 -10.133 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.861 -9.122 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.911 -7.119 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.598 -7.836 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.285 -7.984 -1.154 1.00 0.00 H new ATOM 1330 N MET A 86 1.567 -11.861 0.548 1.00 0.00 N ATOM 1331 CA MET A 86 0.963 -13.044 1.149 1.00 0.00 C ATOM 1332 C MET A 86 0.718 -14.108 0.084 1.00 0.00 C ATOM 1333 O MET A 86 0.775 -15.305 0.360 1.00 0.00 O ATOM 1334 CB MET A 86 -0.336 -12.706 1.874 1.00 0.00 C ATOM 1335 CG MET A 86 -0.128 -12.105 3.252 1.00 0.00 C ATOM 1336 SD MET A 86 -1.637 -12.117 4.239 1.00 0.00 S ATOM 1337 CE MET A 86 -1.940 -13.879 4.379 1.00 0.00 C ATOM 0 H MET A 86 0.978 -11.028 0.551 1.00 0.00 H new ATOM 0 HA MET A 86 1.660 -13.435 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.910 -12.007 1.266 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.935 -13.612 1.969 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.650 -12.661 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.228 -11.080 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.465 -14.085 5.312 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.549 -14.211 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.990 -14.413 4.372 1.00 0.00 H new