USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 48 THR OG1 : rot 180:sc= 0.0762 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.108 USER MOD Set 2.1: A 7 CYS SG : rot 91:sc= -3.78! USER MOD Set 2.2: A 12 CYS SG : rot 83:sc= -0.0265 USER MOD Set 2.3: A 59 CYS SG : rot -63:sc= 2.37 USER MOD Set 2.4: A 62 HIS : no HE2:sc= -1.31! K(o=-2.8!,f=-4.1) USER MOD Single : A 6 THR OG1 : rot 21:sc= 0.803 USER MOD Single : A 11 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -101:sc= 1.17 (180deg=-0.755) USER MOD Single : A 26 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.8) USER MOD Single : A 28 TYR OH : rot 90:sc= 0.0264 USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= 1.51 (180deg=0.888) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.09) USER MOD Single : A 43 THR OG1 : rot 107:sc= 1.39 USER MOD Single : A 54 SER OG : rot 180:sc= 0.125 USER MOD Single : A 55 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.39) USER MOD Single : A 60 SER OG : rot -82:sc= -1.38! USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 0.165 (180deg=-0.143) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 0.828 (180deg=-0.395) USER MOD Single : A 79 THR OG1 : rot 46:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.0612 K(o=0.061,f=-2.2) USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.777) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 9.417 -7.312 1.457 1.00 0.00 N ATOM 67 CA THR A 6 9.459 -6.770 0.110 1.00 0.00 C ATOM 68 C THR A 6 8.122 -6.146 -0.276 1.00 0.00 C ATOM 69 O THR A 6 7.067 -6.572 0.202 1.00 0.00 O ATOM 70 CB THR A 6 9.817 -7.875 -0.901 1.00 0.00 C ATOM 71 OG1 THR A 6 10.164 -9.076 -0.196 1.00 0.00 O ATOM 72 CG2 THR A 6 10.978 -7.448 -1.786 1.00 0.00 C ATOM 0 HA THR A 6 10.225 -5.995 0.090 1.00 0.00 H new ATOM 0 HB THR A 6 8.950 -8.056 -1.536 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.788 -9.044 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.211 -8.246 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.705 -6.547 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.852 -7.244 -1.167 1.00 0.00 H new ATOM 80 N CYS A 7 8.179 -5.134 -1.132 1.00 0.00 N ATOM 81 CA CYS A 7 6.988 -4.459 -1.609 1.00 0.00 C ATOM 82 C CYS A 7 6.273 -5.302 -2.659 1.00 0.00 C ATOM 83 O CYS A 7 6.903 -6.046 -3.418 1.00 0.00 O ATOM 84 CB CYS A 7 7.362 -3.103 -2.206 1.00 0.00 C ATOM 85 SG CYS A 7 5.974 -1.928 -2.340 1.00 0.00 S ATOM 0 H CYS A 7 9.050 -4.762 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 7 6.315 -4.311 -0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.144 -2.654 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.785 -3.261 -3.198 1.00 0.00 H new ATOM 0 HG CYS A 7 5.912 -1.204 -1.262 1.00 0.00 H new ATOM 90 N GLY A 8 4.960 -5.175 -2.695 1.00 0.00 N ATOM 91 CA GLY A 8 4.179 -5.849 -3.706 1.00 0.00 C ATOM 92 C GLY A 8 3.899 -4.941 -4.886 1.00 0.00 C ATOM 93 O GLY A 8 3.230 -5.333 -5.849 1.00 0.00 O ATOM 0 H GLY A 8 4.417 -4.614 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.711 -6.737 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.237 -6.188 -3.274 1.00 0.00 H new ATOM 97 N PHE A 9 4.413 -3.719 -4.803 1.00 0.00 N ATOM 98 CA PHE A 9 4.278 -2.746 -5.878 1.00 0.00 C ATOM 99 C PHE A 9 5.119 -3.169 -7.079 1.00 0.00 C ATOM 100 O PHE A 9 6.076 -3.930 -6.929 1.00 0.00 O ATOM 101 CB PHE A 9 4.729 -1.364 -5.391 1.00 0.00 C ATOM 102 CG PHE A 9 3.648 -0.320 -5.426 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.603 -0.348 -4.514 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.676 0.689 -6.374 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.610 0.612 -4.548 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.686 1.650 -6.413 1.00 0.00 C ATOM 107 CZ PHE A 9 1.652 1.612 -5.500 1.00 0.00 C ATOM 0 H PHE A 9 4.932 -3.377 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 9 3.231 -2.697 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.100 -1.453 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.564 -1.028 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.565 -1.129 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.482 0.724 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.802 0.581 -3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.721 2.431 -7.158 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.877 2.363 -5.530 1.00 0.00 H new ATOM 117 N PRO A 10 4.755 -2.716 -8.293 1.00 0.00 N ATOM 118 CA PRO A 10 5.558 -2.960 -9.498 1.00 0.00 C ATOM 119 C PRO A 10 7.023 -2.572 -9.310 1.00 0.00 C ATOM 120 O PRO A 10 7.926 -3.198 -9.874 1.00 0.00 O ATOM 121 CB PRO A 10 4.896 -2.069 -10.551 1.00 0.00 C ATOM 122 CG PRO A 10 3.481 -1.941 -10.103 1.00 0.00 C ATOM 123 CD PRO A 10 3.511 -1.979 -8.597 1.00 0.00 C ATOM 0 HA PRO A 10 5.579 -4.016 -9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.383 -1.095 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.958 -2.516 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.043 -1.009 -10.460 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.872 -2.753 -10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.525 -0.976 -8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.635 -2.486 -8.191 1.00 0.00 H new ATOM 131 N ASN A 11 7.239 -1.546 -8.507 1.00 0.00 N ATOM 132 CA ASN A 11 8.580 -1.076 -8.180 1.00 0.00 C ATOM 133 C ASN A 11 8.522 -0.077 -7.035 1.00 0.00 C ATOM 134 O ASN A 11 7.893 0.975 -7.153 1.00 0.00 O ATOM 135 CB ASN A 11 9.248 -0.429 -9.397 1.00 0.00 C ATOM 136 CG ASN A 11 10.605 -1.034 -9.691 1.00 0.00 C ATOM 137 OD1 ASN A 11 11.627 -0.353 -9.652 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.622 -2.322 -9.990 1.00 0.00 N ATOM 0 H ASN A 11 6.492 -1.013 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 11 9.174 -1.938 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.603 -0.545 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.359 0.641 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.506 -2.785 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.751 -2.852 -10.012 1.00 0.00 H new ATOM 145 N CYS A 12 9.156 -0.418 -5.923 1.00 0.00 N ATOM 146 CA CYS A 12 9.210 0.472 -4.779 1.00 0.00 C ATOM 147 C CYS A 12 10.514 1.254 -4.777 1.00 0.00 C ATOM 148 O CYS A 12 11.591 0.688 -4.597 1.00 0.00 O ATOM 149 CB CYS A 12 9.082 -0.318 -3.480 1.00 0.00 C ATOM 150 SG CYS A 12 8.665 0.704 -2.031 1.00 0.00 S ATOM 0 H CYS A 12 9.640 -1.306 -5.791 1.00 0.00 H new ATOM 0 HA CYS A 12 8.376 1.170 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.315 -1.083 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.021 -0.837 -3.288 1.00 0.00 H new ATOM 0 HG CYS A 12 7.380 0.899 -1.993 1.00 0.00 H new ATOM 155 N LYS A 13 10.405 2.551 -4.995 1.00 0.00 N ATOM 156 CA LYS A 13 11.566 3.431 -4.990 1.00 0.00 C ATOM 157 C LYS A 13 11.834 3.987 -3.594 1.00 0.00 C ATOM 158 O LYS A 13 12.711 4.835 -3.413 1.00 0.00 O ATOM 159 CB LYS A 13 11.359 4.580 -5.978 1.00 0.00 C ATOM 160 CG LYS A 13 9.980 5.217 -5.892 1.00 0.00 C ATOM 161 CD LYS A 13 10.069 6.733 -5.819 1.00 0.00 C ATOM 162 CE LYS A 13 10.120 7.350 -7.206 1.00 0.00 C ATOM 163 NZ LYS A 13 9.216 8.523 -7.328 1.00 0.00 N ATOM 0 H LYS A 13 9.520 3.024 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 13 12.433 2.845 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.115 5.344 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.516 4.210 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.390 4.928 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.458 4.840 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.209 7.124 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.958 7.021 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.142 7.656 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.842 6.600 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.344 8.240 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.980 8.879 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.691 9.272 -7.871 1.00 0.00 H new ATOM 177 N PHE A 14 11.080 3.510 -2.611 1.00 0.00 N ATOM 178 CA PHE A 14 11.151 4.059 -1.263 1.00 0.00 C ATOM 179 C PHE A 14 12.144 3.292 -0.400 1.00 0.00 C ATOM 180 O PHE A 14 13.105 3.865 0.110 1.00 0.00 O ATOM 181 CB PHE A 14 9.766 4.042 -0.613 1.00 0.00 C ATOM 182 CG PHE A 14 8.798 4.999 -1.248 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.120 6.339 -1.385 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.569 4.559 -1.710 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.237 7.224 -1.970 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.679 5.440 -2.297 1.00 0.00 C ATOM 187 CZ PHE A 14 7.012 6.772 -2.426 1.00 0.00 C ATOM 0 H PHE A 14 10.414 2.746 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 14 11.500 5.089 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.358 3.033 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.866 4.286 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.075 6.696 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.303 3.517 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.502 8.266 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.724 5.085 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.317 7.461 -2.883 1.00 0.00 H new ATOM 197 N ARG A 15 11.926 1.989 -0.264 1.00 0.00 N ATOM 198 CA ARG A 15 12.746 1.161 0.619 1.00 0.00 C ATOM 199 C ARG A 15 14.206 1.112 0.160 1.00 0.00 C ATOM 200 O ARG A 15 15.102 0.798 0.948 1.00 0.00 O ATOM 201 CB ARG A 15 12.176 -0.258 0.704 1.00 0.00 C ATOM 202 CG ARG A 15 11.912 -0.899 -0.647 1.00 0.00 C ATOM 203 CD ARG A 15 12.320 -2.364 -0.659 1.00 0.00 C ATOM 204 NE ARG A 15 13.096 -2.702 -1.854 1.00 0.00 N ATOM 205 CZ ARG A 15 13.681 -3.881 -2.066 1.00 0.00 C ATOM 206 NH1 ARG A 15 13.588 -4.854 -1.165 1.00 0.00 N ATOM 207 NH2 ARG A 15 14.367 -4.085 -3.185 1.00 0.00 N ATOM 0 H ARG A 15 11.189 1.481 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 15 12.722 1.618 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.871 -0.885 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.245 -0.231 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.853 -0.813 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.461 -0.361 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.909 -2.585 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.429 -2.990 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 15 13.196 -1.986 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.065 -4.702 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.039 -5.753 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.445 -3.341 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.816 -4.986 -3.351 1.00 0.00 H new ATOM 368 N ARG A 25 9.119 0.784 8.033 1.00 0.00 N ATOM 369 CA ARG A 25 7.772 1.329 8.067 1.00 0.00 C ATOM 370 C ARG A 25 6.759 0.228 8.357 1.00 0.00 C ATOM 371 O ARG A 25 7.119 -0.944 8.463 1.00 0.00 O ATOM 372 CB ARG A 25 7.448 2.004 6.735 1.00 0.00 C ATOM 373 CG ARG A 25 6.655 3.284 6.890 1.00 0.00 C ATOM 374 CD ARG A 25 6.945 4.262 5.768 1.00 0.00 C ATOM 375 NE ARG A 25 8.154 5.033 6.029 1.00 0.00 N ATOM 376 CZ ARG A 25 8.168 6.219 6.631 1.00 0.00 C ATOM 377 NH1 ARG A 25 7.036 6.759 7.073 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.320 6.849 6.814 1.00 0.00 N ATOM 0 HA ARG A 25 7.715 2.070 8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.378 2.222 6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.886 1.310 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.590 3.053 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.894 3.747 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.055 3.718 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.100 4.939 5.647 1.00 0.00 H new ATOM 0 HE ARG A 25 9.046 4.638 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.153 6.263 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.051 7.669 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.190 6.424 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.336 7.759 7.275 1.00 0.00 H new ATOM 392 N HIS A 26 5.497 0.607 8.491 1.00 0.00 N ATOM 393 CA HIS A 26 4.434 -0.358 8.718 1.00 0.00 C ATOM 394 C HIS A 26 3.989 -0.969 7.399 1.00 0.00 C ATOM 395 O HIS A 26 3.346 -0.312 6.580 1.00 0.00 O ATOM 396 CB HIS A 26 3.237 0.301 9.392 1.00 0.00 C ATOM 397 CG HIS A 26 2.664 -0.489 10.529 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.078 -1.772 10.799 1.00 0.00 N ATOM 399 CD2 HIS A 26 1.711 -0.135 11.422 1.00 0.00 C ATOM 400 CE1 HIS A 26 2.375 -2.164 11.848 1.00 0.00 C ATOM 401 NE2 HIS A 26 1.535 -1.205 12.259 1.00 0.00 N ATOM 0 H HIS A 26 5.185 1.577 8.446 1.00 0.00 H new ATOM 0 HA HIS A 26 4.824 -1.138 9.371 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.536 1.283 9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.458 0.463 8.647 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.189 0.810 11.466 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.466 -3.134 12.314 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.888 -1.261 13.045 1.00 0.00 H new ATOM 409 N PHE A 27 4.334 -2.220 7.199 1.00 0.00 N ATOM 410 CA PHE A 27 3.982 -2.915 5.974 1.00 0.00 C ATOM 411 C PHE A 27 2.593 -3.519 6.104 1.00 0.00 C ATOM 412 O PHE A 27 2.376 -4.438 6.895 1.00 0.00 O ATOM 413 CB PHE A 27 5.013 -4.000 5.656 1.00 0.00 C ATOM 414 CG PHE A 27 6.156 -3.513 4.811 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.165 -2.742 5.365 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.225 -3.835 3.463 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.221 -2.297 4.593 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.281 -3.394 2.688 1.00 0.00 C ATOM 419 CZ PHE A 27 8.280 -2.624 3.253 1.00 0.00 C ATOM 0 H PHE A 27 4.860 -2.782 7.869 1.00 0.00 H new ATOM 0 HA PHE A 27 3.979 -2.200 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.407 -4.400 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.516 -4.822 5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.126 -2.486 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.447 -4.435 3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.999 -1.694 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.326 -3.651 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.105 -2.279 2.648 1.00 0.00 H new ATOM 429 N TYR A 28 1.652 -2.992 5.342 1.00 0.00 N ATOM 430 CA TYR A 28 0.269 -3.437 5.425 1.00 0.00 C ATOM 431 C TYR A 28 0.058 -4.715 4.621 1.00 0.00 C ATOM 432 O TYR A 28 0.689 -4.916 3.582 1.00 0.00 O ATOM 433 CB TYR A 28 -0.672 -2.345 4.920 1.00 0.00 C ATOM 434 CG TYR A 28 -0.537 -1.036 5.664 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.787 -0.961 7.028 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.161 0.125 5.000 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.668 0.235 7.709 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.038 1.322 5.675 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.293 1.374 7.027 1.00 0.00 C ATOM 440 OH TYR A 28 -0.174 2.569 7.702 1.00 0.00 O ATOM 0 H TYR A 28 1.818 -2.254 4.657 1.00 0.00 H new ATOM 0 HA TYR A 28 0.045 -3.646 6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.479 -2.173 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.700 -2.696 5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.079 -1.852 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.038 0.090 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.867 0.278 8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.257 2.215 5.145 1.00 0.00 H new ATOM 0 HH TYR A 28 0.741 2.665 8.038 1.00 0.00 H new ATOM 450 N ARG A 29 -0.837 -5.570 5.101 1.00 0.00 N ATOM 451 CA ARG A 29 -1.127 -6.841 4.435 1.00 0.00 C ATOM 452 C ARG A 29 -2.359 -6.706 3.549 1.00 0.00 C ATOM 453 O ARG A 29 -3.068 -7.686 3.292 1.00 0.00 O ATOM 454 CB ARG A 29 -1.343 -7.969 5.456 1.00 0.00 C ATOM 455 CG ARG A 29 -1.006 -7.595 6.891 1.00 0.00 C ATOM 456 CD ARG A 29 0.476 -7.772 7.183 1.00 0.00 C ATOM 457 NE ARG A 29 1.042 -6.597 7.846 1.00 0.00 N ATOM 458 CZ ARG A 29 1.005 -6.386 9.162 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.522 -7.314 9.980 1.00 0.00 N ATOM 460 NH2 ARG A 29 1.484 -5.258 9.660 1.00 0.00 N ATOM 0 H ARG A 29 -1.377 -5.409 5.951 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.265 -7.097 3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.385 -8.287 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.736 -8.826 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.292 -6.559 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.588 -8.213 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.620 -8.650 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.011 -7.957 6.251 1.00 0.00 H new ATOM 0 HE ARG A 29 1.495 -5.893 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.176 -8.196 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.497 -7.145 10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.880 -4.553 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.457 -5.093 10.666 1.00 0.00 H new ATOM 474 N ILE A 30 -2.579 -5.484 3.072 1.00 0.00 N ATOM 475 CA ILE A 30 -3.755 -5.126 2.283 1.00 0.00 C ATOM 476 C ILE A 30 -5.043 -5.283 3.093 1.00 0.00 C ATOM 477 O ILE A 30 -5.436 -6.393 3.448 1.00 0.00 O ATOM 478 CB ILE A 30 -3.849 -5.953 0.985 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.578 -5.785 0.160 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.069 -5.544 0.169 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.186 -7.029 -0.602 1.00 0.00 C ATOM 0 H ILE A 30 -1.938 -4.705 3.224 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.639 -4.077 2.012 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.957 -7.004 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.717 -4.965 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.760 -5.501 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.114 -6.141 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.972 -5.710 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.995 -4.488 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.273 -6.837 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.014 -7.846 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.987 -7.302 -1.289 1.00 0.00 H new ATOM 493 N PRO A 31 -5.700 -4.157 3.411 1.00 0.00 N ATOM 494 CA PRO A 31 -6.994 -4.141 4.102 1.00 0.00 C ATOM 495 C PRO A 31 -8.052 -4.960 3.373 1.00 0.00 C ATOM 496 O PRO A 31 -8.665 -4.473 2.433 1.00 0.00 O ATOM 497 CB PRO A 31 -7.408 -2.661 4.085 1.00 0.00 C ATOM 498 CG PRO A 31 -6.476 -1.983 3.148 1.00 0.00 C ATOM 499 CD PRO A 31 -5.220 -2.802 3.126 1.00 0.00 C ATOM 0 HA PRO A 31 -6.909 -4.572 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.441 -2.549 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.342 -2.226 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.911 -1.914 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.269 -0.965 3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.720 -2.747 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.504 -2.462 3.875 1.00 0.00 H new ATOM 507 N LYS A 32 -8.277 -6.193 3.811 1.00 0.00 N ATOM 508 CA LYS A 32 -9.270 -7.055 3.170 1.00 0.00 C ATOM 509 C LYS A 32 -10.669 -6.711 3.653 1.00 0.00 C ATOM 510 O LYS A 32 -11.667 -7.254 3.177 1.00 0.00 O ATOM 511 CB LYS A 32 -8.961 -8.529 3.438 1.00 0.00 C ATOM 512 CG LYS A 32 -8.387 -9.261 2.236 1.00 0.00 C ATOM 513 CD LYS A 32 -7.140 -8.576 1.701 1.00 0.00 C ATOM 514 CE LYS A 32 -5.881 -9.366 2.028 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.418 -9.126 3.421 1.00 0.00 N ATOM 0 H LYS A 32 -7.791 -6.618 4.601 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.224 -6.884 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.255 -8.598 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.875 -9.031 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.147 -10.287 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.139 -9.313 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.225 -8.457 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.063 -7.576 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.074 -10.430 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.090 -9.092 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.378 -9.109 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.787 -8.213 3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.765 -9.888 4.038 1.00 0.00 H new ATOM 529 N ARG A 33 -10.715 -5.793 4.595 1.00 0.00 N ATOM 530 CA ARG A 33 -11.963 -5.306 5.161 1.00 0.00 C ATOM 531 C ARG A 33 -11.797 -3.852 5.592 1.00 0.00 C ATOM 532 O ARG A 33 -10.867 -3.521 6.331 1.00 0.00 O ATOM 533 CB ARG A 33 -12.410 -6.163 6.350 1.00 0.00 C ATOM 534 CG ARG A 33 -11.268 -6.745 7.168 1.00 0.00 C ATOM 535 CD ARG A 33 -11.790 -7.497 8.381 1.00 0.00 C ATOM 536 NE ARG A 33 -12.634 -6.651 9.228 1.00 0.00 N ATOM 537 CZ ARG A 33 -12.181 -5.956 10.270 1.00 0.00 C ATOM 538 NH1 ARG A 33 -10.906 -6.050 10.625 1.00 0.00 N ATOM 539 NH2 ARG A 33 -13.005 -5.181 10.969 1.00 0.00 N ATOM 0 H ARG A 33 -9.884 -5.358 4.995 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.736 -5.373 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.037 -5.557 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.030 -6.980 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.677 -7.418 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.603 -5.944 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.361 -8.365 8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.949 -7.871 8.965 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.628 -6.591 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.274 -6.654 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.558 -5.518 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.989 -5.117 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.653 -4.651 11.766 1.00 0.00 H new ATOM 553 N PRO A 34 -12.674 -2.952 5.119 1.00 0.00 N ATOM 554 CA PRO A 34 -13.777 -3.304 4.212 1.00 0.00 C ATOM 555 C PRO A 34 -13.285 -3.702 2.820 1.00 0.00 C ATOM 556 O PRO A 34 -12.229 -3.255 2.370 1.00 0.00 O ATOM 557 CB PRO A 34 -14.600 -2.016 4.143 1.00 0.00 C ATOM 558 CG PRO A 34 -13.633 -0.929 4.451 1.00 0.00 C ATOM 559 CD PRO A 34 -12.659 -1.513 5.435 1.00 0.00 C ATOM 0 HA PRO A 34 -14.339 -4.168 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.044 -1.883 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.420 -2.031 4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.123 -0.593 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.141 -0.061 4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.663 -1.086 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.966 -1.325 6.464 1.00 0.00 H new ATOM 567 N LEU A 35 -14.055 -4.552 2.150 1.00 0.00 N ATOM 568 CA LEU A 35 -13.703 -5.034 0.819 1.00 0.00 C ATOM 569 C LEU A 35 -13.544 -3.884 -0.173 1.00 0.00 C ATOM 570 O LEU A 35 -12.740 -3.970 -1.100 1.00 0.00 O ATOM 571 CB LEU A 35 -14.757 -6.018 0.307 1.00 0.00 C ATOM 572 CG LEU A 35 -14.209 -7.152 -0.563 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.532 -8.504 0.055 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.772 -7.056 -1.974 1.00 0.00 C ATOM 0 H LEU A 35 -14.934 -4.924 2.510 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.744 -5.545 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.274 -6.453 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.501 -5.466 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.125 -7.054 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.134 -9.298 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.081 -8.569 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.613 -8.616 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.373 -7.869 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.859 -7.130 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.487 -6.101 -2.415 1.00 0.00 H new ATOM 586 N ILE A 36 -14.312 -2.816 0.023 1.00 0.00 N ATOM 587 CA ILE A 36 -14.209 -1.633 -0.829 1.00 0.00 C ATOM 588 C ILE A 36 -12.811 -1.022 -0.731 1.00 0.00 C ATOM 589 O ILE A 36 -12.219 -0.637 -1.743 1.00 0.00 O ATOM 590 CB ILE A 36 -15.286 -0.579 -0.463 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.671 -1.062 -0.912 1.00 0.00 C ATOM 592 CG2 ILE A 36 -14.968 0.777 -1.085 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.702 -1.616 -2.323 1.00 0.00 C ATOM 0 H ILE A 36 -15.011 -2.744 0.762 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.383 -1.947 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.286 -0.457 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.017 -1.832 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.374 -0.232 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.742 1.494 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.002 1.127 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.933 0.680 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.715 -1.936 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.388 -0.843 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.025 -2.468 -2.394 1.00 0.00 H new ATOM 605 N LEU A 37 -12.277 -0.967 0.487 1.00 0.00 N ATOM 606 CA LEU A 37 -10.915 -0.491 0.706 1.00 0.00 C ATOM 607 C LEU A 37 -9.937 -1.380 -0.049 1.00 0.00 C ATOM 608 O LEU A 37 -9.055 -0.896 -0.751 1.00 0.00 O ATOM 609 CB LEU A 37 -10.576 -0.501 2.203 1.00 0.00 C ATOM 610 CG LEU A 37 -10.024 0.809 2.773 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.402 0.569 4.139 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.004 1.419 1.832 1.00 0.00 C ATOM 0 H LEU A 37 -12.767 -1.246 1.337 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.837 0.532 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.476 -0.765 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.846 -1.290 2.385 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.852 1.510 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.014 1.509 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.158 0.176 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.588 -0.150 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.626 2.348 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.178 0.722 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.474 1.625 0.870 1.00 0.00 H new ATOM 624 N ARG A 38 -10.136 -2.684 0.083 1.00 0.00 N ATOM 625 CA ARG A 38 -9.300 -3.679 -0.574 1.00 0.00 C ATOM 626 C ARG A 38 -9.349 -3.532 -2.091 1.00 0.00 C ATOM 627 O ARG A 38 -8.321 -3.588 -2.765 1.00 0.00 O ATOM 628 CB ARG A 38 -9.769 -5.074 -0.167 1.00 0.00 C ATOM 629 CG ARG A 38 -8.936 -6.203 -0.736 1.00 0.00 C ATOM 630 CD ARG A 38 -9.818 -7.337 -1.225 1.00 0.00 C ATOM 631 NE ARG A 38 -10.394 -7.048 -2.536 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.613 -7.972 -3.469 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.328 -9.243 -3.228 1.00 0.00 N ATOM 634 NH2 ARG A 38 -11.126 -7.628 -4.641 1.00 0.00 N ATOM 0 H ARG A 38 -10.884 -3.083 0.650 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.267 -3.528 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.760 -5.144 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.803 -5.204 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.326 -5.831 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.250 -6.574 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.233 -8.255 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.619 -7.511 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.643 -6.082 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.940 -9.516 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.497 -9.948 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.355 -6.652 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.292 -8.339 -5.353 1.00 0.00 H new ATOM 648 N GLN A 39 -10.551 -3.344 -2.621 1.00 0.00 N ATOM 649 CA GLN A 39 -10.748 -3.199 -4.056 1.00 0.00 C ATOM 650 C GLN A 39 -10.008 -1.974 -4.579 1.00 0.00 C ATOM 651 O GLN A 39 -9.320 -2.036 -5.599 1.00 0.00 O ATOM 652 CB GLN A 39 -12.240 -3.085 -4.374 1.00 0.00 C ATOM 653 CG GLN A 39 -12.636 -3.736 -5.687 1.00 0.00 C ATOM 654 CD GLN A 39 -12.902 -2.719 -6.780 1.00 0.00 C ATOM 655 OE1 GLN A 39 -11.979 -2.085 -7.292 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.163 -2.562 -7.148 1.00 0.00 N ATOM 0 H GLN A 39 -11.409 -3.288 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.346 -4.084 -4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.811 -3.542 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.517 -2.031 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.843 -4.411 -6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.529 -4.343 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.897 -3.108 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.401 -1.895 -7.882 1.00 0.00 H new ATOM 665 N ARG A 40 -10.139 -0.869 -3.862 1.00 0.00 N ATOM 666 CA ARG A 40 -9.489 0.370 -4.251 1.00 0.00 C ATOM 667 C ARG A 40 -7.989 0.302 -4.000 1.00 0.00 C ATOM 668 O ARG A 40 -7.215 0.993 -4.654 1.00 0.00 O ATOM 669 CB ARG A 40 -10.087 1.550 -3.493 1.00 0.00 C ATOM 670 CG ARG A 40 -11.372 2.067 -4.096 1.00 0.00 C ATOM 671 CD ARG A 40 -11.112 2.885 -5.349 1.00 0.00 C ATOM 672 NE ARG A 40 -12.164 2.702 -6.344 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.988 2.116 -7.527 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.790 1.660 -7.887 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.014 1.990 -8.355 1.00 0.00 N ATOM 0 H ARG A 40 -10.691 -0.806 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.656 0.512 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.274 1.251 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.358 2.360 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.025 1.228 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.898 2.679 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.040 3.940 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.152 2.598 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.097 3.046 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.996 1.758 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.666 1.213 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.933 2.341 -8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.885 1.542 -9.262 1.00 0.00 H new ATOM 689 N TRP A 41 -7.584 -0.539 -3.066 1.00 0.00 N ATOM 690 CA TRP A 41 -6.177 -0.692 -2.731 1.00 0.00 C ATOM 691 C TRP A 41 -5.404 -1.309 -3.891 1.00 0.00 C ATOM 692 O TRP A 41 -4.215 -1.054 -4.065 1.00 0.00 O ATOM 693 CB TRP A 41 -6.037 -1.532 -1.460 1.00 0.00 C ATOM 694 CG TRP A 41 -5.571 -0.717 -0.303 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.194 0.372 0.225 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.375 -0.908 0.451 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.459 0.871 1.269 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.339 0.102 1.429 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.332 -1.838 0.398 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.301 0.211 2.344 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.304 -1.728 1.310 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.297 -0.710 2.271 1.00 0.00 C ATOM 0 H TRP A 41 -8.212 -1.130 -2.522 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.749 0.293 -2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.997 -1.988 -1.219 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.333 -2.345 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.129 0.782 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.707 1.683 1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.332 -2.625 -0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.289 0.996 3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.491 -2.439 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.477 -0.652 2.972 1.00 0.00 H new ATOM 713 N LEU A 42 -6.102 -2.095 -4.702 1.00 0.00 N ATOM 714 CA LEU A 42 -5.503 -2.734 -5.872 1.00 0.00 C ATOM 715 C LEU A 42 -5.221 -1.725 -6.991 1.00 0.00 C ATOM 716 O LEU A 42 -4.446 -2.013 -7.904 1.00 0.00 O ATOM 717 CB LEU A 42 -6.414 -3.843 -6.412 1.00 0.00 C ATOM 718 CG LEU A 42 -6.985 -4.812 -5.372 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.686 -5.973 -6.059 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.888 -5.329 -4.456 1.00 0.00 C ATOM 0 H LEU A 42 -7.091 -2.307 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.556 -3.164 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.246 -3.377 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.853 -4.420 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.712 -4.271 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.086 -6.653 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.501 -5.593 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.974 -6.507 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.317 -6.015 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.136 -5.852 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.423 -4.491 -3.937 1.00 0.00 H new ATOM 732 N THR A 43 -5.859 -0.556 -6.916 1.00 0.00 N ATOM 733 CA THR A 43 -5.790 0.449 -7.982 1.00 0.00 C ATOM 734 C THR A 43 -4.355 0.766 -8.416 1.00 0.00 C ATOM 735 O THR A 43 -3.990 0.529 -9.567 1.00 0.00 O ATOM 736 CB THR A 43 -6.487 1.761 -7.556 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.820 1.483 -7.109 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.535 2.765 -8.700 1.00 0.00 C ATOM 0 H THR A 43 -6.435 -0.279 -6.121 1.00 0.00 H new ATOM 0 HA THR A 43 -6.309 0.010 -8.834 1.00 0.00 H new ATOM 0 HB THR A 43 -5.906 2.197 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.864 1.577 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.032 3.675 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.520 3.002 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.088 2.337 -9.537 1.00 0.00 H new ATOM 746 N ALA A 44 -3.542 1.265 -7.493 1.00 0.00 N ATOM 747 CA ALA A 44 -2.225 1.788 -7.848 1.00 0.00 C ATOM 748 C ALA A 44 -1.195 0.680 -8.056 1.00 0.00 C ATOM 749 O ALA A 44 -0.117 0.922 -8.597 1.00 0.00 O ATOM 750 CB ALA A 44 -1.750 2.766 -6.791 1.00 0.00 C ATOM 0 H ALA A 44 -3.767 1.319 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.327 2.308 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.767 3.150 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.455 3.594 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.685 2.258 -5.829 1.00 0.00 H new ATOM 756 N ILE A 45 -1.518 -0.531 -7.623 1.00 0.00 N ATOM 757 CA ILE A 45 -0.630 -1.667 -7.840 1.00 0.00 C ATOM 758 C ILE A 45 -0.954 -2.333 -9.169 1.00 0.00 C ATOM 759 O ILE A 45 -0.109 -3.008 -9.765 1.00 0.00 O ATOM 760 CB ILE A 45 -0.728 -2.726 -6.716 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.868 -2.398 -5.747 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.595 -2.840 -5.972 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.940 -3.325 -4.553 1.00 0.00 C ATOM 0 H ILE A 45 -2.380 -0.752 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 45 0.386 -1.273 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.948 -3.689 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.749 -1.374 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.814 -2.441 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.507 -3.589 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.380 -3.136 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.847 -1.877 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.771 -3.030 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.091 -4.349 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.009 -3.265 -3.989 1.00 0.00 H new ATOM 775 N GLY A 46 -2.183 -2.128 -9.625 1.00 0.00 N ATOM 776 CA GLY A 46 -2.642 -2.742 -10.853 1.00 0.00 C ATOM 777 C GLY A 46 -2.667 -4.252 -10.749 1.00 0.00 C ATOM 778 O GLY A 46 -2.352 -4.956 -11.704 1.00 0.00 O ATOM 0 H GLY A 46 -2.875 -1.541 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.641 -2.377 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.990 -2.445 -11.674 1.00 0.00 H new ATOM 782 N ARG A 47 -3.040 -4.751 -9.580 1.00 0.00 N ATOM 783 CA ARG A 47 -2.999 -6.181 -9.321 1.00 0.00 C ATOM 784 C ARG A 47 -4.400 -6.761 -9.218 1.00 0.00 C ATOM 785 O ARG A 47 -5.294 -6.148 -8.636 1.00 0.00 O ATOM 786 CB ARG A 47 -2.230 -6.460 -8.029 1.00 0.00 C ATOM 787 CG ARG A 47 -0.806 -5.934 -8.040 1.00 0.00 C ATOM 788 CD ARG A 47 0.200 -7.066 -7.969 1.00 0.00 C ATOM 789 NE ARG A 47 1.580 -6.582 -7.929 1.00 0.00 N ATOM 790 CZ ARG A 47 2.412 -6.622 -8.968 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.008 -7.116 -10.133 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.653 -6.175 -8.841 1.00 0.00 N ATOM 0 H ARG A 47 -3.374 -4.188 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.490 -6.659 -10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.767 -6.012 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.209 -7.536 -7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.638 -5.352 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.658 -5.260 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.003 -7.669 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.071 -7.718 -8.833 1.00 0.00 H new ATOM 0 HE ARG A 47 1.926 -6.190 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.056 -7.467 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.650 -7.144 -10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.971 -5.800 -7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.290 -6.206 -9.637 1.00 0.00 H new ATOM 806 N THR A 48 -4.585 -7.934 -9.801 1.00 0.00 N ATOM 807 CA THR A 48 -5.832 -8.664 -9.675 1.00 0.00 C ATOM 808 C THR A 48 -5.782 -9.577 -8.448 1.00 0.00 C ATOM 809 O THR A 48 -4.761 -9.630 -7.755 1.00 0.00 O ATOM 810 CB THR A 48 -6.094 -9.500 -10.937 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.900 -9.564 -11.728 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.223 -8.899 -11.762 1.00 0.00 C ATOM 0 H THR A 48 -3.880 -8.403 -10.370 1.00 0.00 H new ATOM 0 HA THR A 48 -6.644 -7.947 -9.555 1.00 0.00 H new ATOM 0 HB THR A 48 -6.388 -10.504 -10.631 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.068 -10.099 -12.532 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.389 -9.509 -12.650 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.135 -8.871 -11.165 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.955 -7.886 -12.063 1.00 0.00 H new ATOM 820 N GLU A 49 -6.859 -10.314 -8.204 1.00 0.00 N ATOM 821 CA GLU A 49 -6.972 -11.158 -7.014 1.00 0.00 C ATOM 822 C GLU A 49 -6.001 -12.340 -7.075 1.00 0.00 C ATOM 823 O GLU A 49 -5.721 -12.979 -6.063 1.00 0.00 O ATOM 824 CB GLU A 49 -8.407 -11.674 -6.863 1.00 0.00 C ATOM 825 CG GLU A 49 -9.474 -10.662 -7.264 1.00 0.00 C ATOM 826 CD GLU A 49 -10.524 -10.457 -6.187 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.443 -11.125 -5.134 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.430 -9.618 -6.377 1.00 0.00 O ATOM 0 H GLU A 49 -7.673 -10.346 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.714 -10.548 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.525 -12.572 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.570 -11.967 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.997 -9.707 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.960 -10.997 -8.180 1.00 0.00 H new ATOM 835 N GLU A 50 -5.499 -12.636 -8.266 1.00 0.00 N ATOM 836 CA GLU A 50 -4.518 -13.704 -8.435 1.00 0.00 C ATOM 837 C GLU A 50 -3.126 -13.226 -8.038 1.00 0.00 C ATOM 838 O GLU A 50 -2.278 -14.014 -7.622 1.00 0.00 O ATOM 839 CB GLU A 50 -4.489 -14.187 -9.885 1.00 0.00 C ATOM 840 CG GLU A 50 -5.697 -15.014 -10.285 1.00 0.00 C ATOM 841 CD GLU A 50 -6.322 -14.527 -11.571 1.00 0.00 C ATOM 842 OE1 GLU A 50 -5.630 -14.536 -12.612 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.500 -14.118 -11.545 1.00 0.00 O ATOM 0 H GLU A 50 -5.753 -12.154 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.813 -14.529 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.420 -13.322 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.588 -14.780 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.400 -16.056 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.439 -14.980 -9.487 1.00 0.00 H new ATOM 850 N THR A 51 -2.908 -11.927 -8.153 1.00 0.00 N ATOM 851 CA THR A 51 -1.595 -11.346 -7.928 1.00 0.00 C ATOM 852 C THR A 51 -1.572 -10.519 -6.649 1.00 0.00 C ATOM 853 O THR A 51 -0.738 -9.633 -6.484 1.00 0.00 O ATOM 854 CB THR A 51 -1.193 -10.448 -9.114 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.337 -9.705 -9.563 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.645 -11.281 -10.265 1.00 0.00 C ATOM 0 H THR A 51 -3.629 -11.250 -8.403 1.00 0.00 H new ATOM 0 HA THR A 51 -0.885 -12.167 -7.832 1.00 0.00 H new ATOM 0 HB THR A 51 -0.413 -9.764 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.080 -9.133 -10.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.368 -10.624 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.234 -11.832 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.407 -11.984 -10.601 1.00 0.00 H new ATOM 864 N VAL A 52 -2.491 -10.805 -5.748 1.00 0.00 N ATOM 865 CA VAL A 52 -2.634 -10.010 -4.543 1.00 0.00 C ATOM 866 C VAL A 52 -2.833 -10.908 -3.326 1.00 0.00 C ATOM 867 O VAL A 52 -2.890 -12.131 -3.453 1.00 0.00 O ATOM 868 CB VAL A 52 -3.805 -9.000 -4.693 1.00 0.00 C ATOM 869 CG1 VAL A 52 -5.148 -9.646 -4.388 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.584 -7.771 -3.824 1.00 0.00 C ATOM 0 H VAL A 52 -3.149 -11.580 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.716 -9.442 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.824 -8.680 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.942 -8.908 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.319 -10.473 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.148 -10.020 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.419 -7.082 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.516 -8.072 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.659 -7.277 -4.121 1.00 0.00 H new ATOM 880 N VAL A 53 -2.885 -10.283 -2.154 1.00 0.00 N ATOM 881 CA VAL A 53 -3.155 -10.958 -0.889 1.00 0.00 C ATOM 882 C VAL A 53 -1.893 -11.586 -0.293 1.00 0.00 C ATOM 883 O VAL A 53 -1.354 -11.081 0.692 1.00 0.00 O ATOM 884 CB VAL A 53 -4.272 -12.031 -1.002 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.455 -12.758 0.322 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.589 -11.406 -1.450 1.00 0.00 C ATOM 0 H VAL A 53 -2.739 -9.278 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.510 -10.177 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.964 -12.755 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.242 -13.505 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.522 -13.249 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.732 -12.041 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.353 -12.180 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.900 -10.654 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.456 -10.937 -2.425 1.00 0.00 H new ATOM 896 N SER A 54 -1.418 -12.672 -0.887 1.00 0.00 N ATOM 897 CA SER A 54 -0.319 -13.434 -0.308 1.00 0.00 C ATOM 898 C SER A 54 1.021 -12.713 -0.450 1.00 0.00 C ATOM 899 O SER A 54 1.559 -12.190 0.524 1.00 0.00 O ATOM 900 CB SER A 54 -0.243 -14.811 -0.961 1.00 0.00 C ATOM 901 OG SER A 54 -1.247 -14.960 -1.952 1.00 0.00 O ATOM 0 H SER A 54 -1.775 -13.045 -1.767 1.00 0.00 H new ATOM 0 HA SER A 54 -0.519 -13.541 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.740 -14.950 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.359 -15.584 -0.202 1.00 0.00 H new ATOM 0 HG SER A 54 -1.177 -15.849 -2.357 1.00 0.00 H new ATOM 907 N GLN A 55 1.537 -12.665 -1.673 1.00 0.00 N ATOM 908 CA GLN A 55 2.885 -12.153 -1.925 1.00 0.00 C ATOM 909 C GLN A 55 2.918 -10.629 -1.997 1.00 0.00 C ATOM 910 O GLN A 55 3.915 -10.046 -2.413 1.00 0.00 O ATOM 911 CB GLN A 55 3.432 -12.738 -3.231 1.00 0.00 C ATOM 912 CG GLN A 55 4.595 -13.695 -3.031 1.00 0.00 C ATOM 913 CD GLN A 55 5.946 -13.024 -3.203 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.180 -12.299 -4.174 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.846 -13.262 -2.261 1.00 0.00 N ATOM 0 H GLN A 55 1.043 -12.975 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 55 3.510 -12.461 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.628 -13.260 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.752 -11.922 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.535 -14.129 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.510 -14.517 -3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.613 -13.868 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.772 -12.840 -2.322 1.00 0.00 H new ATOM 924 N LEU A 56 1.837 -9.983 -1.594 1.00 0.00 N ATOM 925 CA LEU A 56 1.749 -8.540 -1.723 1.00 0.00 C ATOM 926 C LEU A 56 1.670 -7.850 -0.370 1.00 0.00 C ATOM 927 O LEU A 56 0.732 -8.059 0.399 1.00 0.00 O ATOM 928 CB LEU A 56 0.548 -8.155 -2.583 1.00 0.00 C ATOM 929 CG LEU A 56 0.890 -7.319 -3.814 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.608 -8.168 -4.852 1.00 0.00 C ATOM 931 CD2 LEU A 56 -0.366 -6.694 -4.396 1.00 0.00 C ATOM 0 H LEU A 56 1.018 -10.428 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 56 2.663 -8.201 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.043 -9.065 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.160 -7.599 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 56 1.561 -6.514 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.844 -7.556 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.530 -8.562 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.965 -8.995 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.105 -6.101 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.064 -7.480 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.832 -6.051 -3.649 1.00 0.00 H new ATOM 943 N ARG A 57 2.675 -7.046 -0.078 1.00 0.00 N ATOM 944 CA ARG A 57 2.666 -6.185 1.096 1.00 0.00 C ATOM 945 C ARG A 57 2.957 -4.762 0.655 1.00 0.00 C ATOM 946 O ARG A 57 3.731 -4.552 -0.276 1.00 0.00 O ATOM 947 CB ARG A 57 3.700 -6.644 2.125 1.00 0.00 C ATOM 948 CG ARG A 57 3.406 -8.018 2.705 1.00 0.00 C ATOM 949 CD ARG A 57 2.158 -8.007 3.572 1.00 0.00 C ATOM 950 NE ARG A 57 1.865 -9.330 4.113 1.00 0.00 N ATOM 951 CZ ARG A 57 1.198 -10.282 3.457 1.00 0.00 C ATOM 952 NH1 ARG A 57 0.701 -10.047 2.247 1.00 0.00 N ATOM 953 NH2 ARG A 57 1.015 -11.466 4.024 1.00 0.00 N ATOM 0 H ARG A 57 3.520 -6.969 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 57 1.686 -6.236 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.685 -6.658 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.742 -5.917 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.280 -8.736 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.258 -8.353 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.290 -7.300 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.309 -7.658 2.984 1.00 0.00 H new ATOM 0 HE ARG A 57 2.192 -9.542 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.828 -9.133 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.193 -10.781 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.383 -11.647 4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.506 -12.197 3.526 1.00 0.00 H new ATOM 967 N ILE A 58 2.326 -3.790 1.290 1.00 0.00 N ATOM 968 CA ILE A 58 2.471 -2.411 0.853 1.00 0.00 C ATOM 969 C ILE A 58 2.957 -1.510 1.982 1.00 0.00 C ATOM 970 O ILE A 58 2.397 -1.507 3.082 1.00 0.00 O ATOM 971 CB ILE A 58 1.151 -1.846 0.284 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.487 -2.857 -0.666 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.407 -0.525 -0.426 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.207 -3.030 -1.990 1.00 0.00 C ATOM 0 H ILE A 58 1.717 -3.925 2.097 1.00 0.00 H new ATOM 0 HA ILE A 58 3.219 -2.421 0.061 1.00 0.00 H new ATOM 0 HB ILE A 58 0.466 -1.667 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.430 -3.824 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.537 -2.538 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.469 -0.137 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.827 0.192 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.109 -0.682 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.675 -3.759 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.241 -2.074 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.223 -3.381 -1.809 1.00 0.00 H new ATOM 986 N CYS A 59 4.016 -0.764 1.692 1.00 0.00 N ATOM 987 CA CYS A 59 4.583 0.204 2.614 1.00 0.00 C ATOM 988 C CYS A 59 3.621 1.350 2.922 1.00 0.00 C ATOM 989 O CYS A 59 2.751 1.689 2.118 1.00 0.00 O ATOM 990 CB CYS A 59 5.852 0.769 1.993 1.00 0.00 C ATOM 991 SG CYS A 59 6.779 -0.465 1.025 1.00 0.00 S ATOM 0 H CYS A 59 4.508 -0.817 0.800 1.00 0.00 H new ATOM 0 HA CYS A 59 4.791 -0.305 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.592 1.608 1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.494 1.160 2.783 1.00 0.00 H new ATOM 0 HG CYS A 59 7.186 -1.417 1.811 1.00 0.00 H new ATOM 996 N SER A 60 3.811 1.966 4.081 1.00 0.00 N ATOM 997 CA SER A 60 3.049 3.147 4.455 1.00 0.00 C ATOM 998 C SER A 60 3.678 4.395 3.837 1.00 0.00 C ATOM 999 O SER A 60 3.143 5.497 3.949 1.00 0.00 O ATOM 1000 CB SER A 60 2.993 3.271 5.976 1.00 0.00 C ATOM 1001 OG SER A 60 3.792 2.274 6.591 1.00 0.00 O ATOM 0 H SER A 60 4.490 1.665 4.780 1.00 0.00 H new ATOM 0 HA SER A 60 2.031 3.050 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.340 4.259 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.961 3.178 6.316 1.00 0.00 H new ATOM 0 HG SER A 60 3.287 1.436 6.643 1.00 0.00 H new ATOM 1007 N ALA A 61 4.812 4.203 3.167 1.00 0.00 N ATOM 1008 CA ALA A 61 5.498 5.289 2.473 1.00 0.00 C ATOM 1009 C ALA A 61 4.742 5.655 1.207 1.00 0.00 C ATOM 1010 O ALA A 61 5.052 6.634 0.534 1.00 0.00 O ATOM 1011 CB ALA A 61 6.930 4.889 2.138 1.00 0.00 C ATOM 0 H ALA A 61 5.277 3.299 3.090 1.00 0.00 H new ATOM 0 HA ALA A 61 5.530 6.159 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.426 5.711 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.469 4.661 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.921 4.009 1.495 1.00 0.00 H new ATOM 1017 N HIS A 62 3.729 4.858 0.902 1.00 0.00 N ATOM 1018 CA HIS A 62 2.912 5.057 -0.279 1.00 0.00 C ATOM 1019 C HIS A 62 1.727 5.967 0.041 1.00 0.00 C ATOM 1020 O HIS A 62 0.741 6.021 -0.695 1.00 0.00 O ATOM 1021 CB HIS A 62 2.440 3.700 -0.802 1.00 0.00 C ATOM 1022 CG HIS A 62 3.561 2.854 -1.329 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.073 2.979 -2.606 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.300 1.881 -0.718 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.083 2.101 -2.731 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.251 1.424 -1.617 1.00 0.00 N ATOM 0 H HIS A 62 3.453 4.056 1.468 1.00 0.00 H new ATOM 0 HA HIS A 62 3.504 5.545 -1.054 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.933 3.164 0.000 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.707 3.857 -1.593 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.743 3.623 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.166 1.528 0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.675 1.970 -3.624 1.00 0.00 H new ATOM 1034 N PHE A 63 1.838 6.671 1.162 1.00 0.00 N ATOM 1035 CA PHE A 63 0.833 7.635 1.588 1.00 0.00 C ATOM 1036 C PHE A 63 1.519 8.961 1.894 1.00 0.00 C ATOM 1037 O PHE A 63 2.744 9.016 1.981 1.00 0.00 O ATOM 1038 CB PHE A 63 0.088 7.132 2.831 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.531 5.773 2.663 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.183 4.630 2.979 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.823 5.639 2.182 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.377 3.380 2.818 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.388 4.388 2.022 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.662 3.260 2.338 1.00 0.00 C ATOM 0 H PHE A 63 2.629 6.588 1.801 1.00 0.00 H new ATOM 0 HA PHE A 63 0.104 7.768 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.782 7.103 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.694 7.847 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.191 4.718 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.394 6.520 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.192 2.496 3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.397 4.294 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.101 2.282 2.209 1.00 0.00 H new ATOM 1054 N GLU A 64 0.744 10.019 2.084 1.00 0.00 N ATOM 1055 CA GLU A 64 1.315 11.345 2.327 1.00 0.00 C ATOM 1056 C GLU A 64 1.568 11.560 3.820 1.00 0.00 C ATOM 1057 O GLU A 64 1.225 12.600 4.386 1.00 0.00 O ATOM 1058 CB GLU A 64 0.405 12.456 1.774 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.046 12.044 1.571 1.00 0.00 C ATOM 1060 CD GLU A 64 -1.773 11.799 2.877 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.346 12.761 3.431 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -1.759 10.648 3.362 1.00 0.00 O ATOM 0 H GLU A 64 -0.276 9.991 2.076 1.00 0.00 H new ATOM 0 HA GLU A 64 2.268 11.395 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.436 13.306 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.809 12.797 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.565 12.822 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.081 11.138 0.965 1.00 0.00 H new ATOM 1069 N GLY A 65 2.191 10.574 4.445 1.00 0.00 N ATOM 1070 CA GLY A 65 2.456 10.631 5.867 1.00 0.00 C ATOM 1071 C GLY A 65 2.704 9.250 6.430 1.00 0.00 C ATOM 1072 O GLY A 65 3.636 9.042 7.210 1.00 0.00 O ATOM 0 H GLY A 65 2.522 9.725 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.323 11.264 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.610 11.090 6.380 1.00 0.00 H new ATOM 1076 N GLY A 66 1.858 8.310 6.042 1.00 0.00 N ATOM 1077 CA GLY A 66 2.072 6.929 6.410 1.00 0.00 C ATOM 1078 C GLY A 66 1.001 6.392 7.330 1.00 0.00 C ATOM 1079 O GLY A 66 1.308 5.825 8.379 1.00 0.00 O ATOM 0 H GLY A 66 1.025 8.480 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.107 6.319 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.043 6.834 6.897 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.255 6.572 6.944 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.369 6.063 7.730 1.00 0.00 C ATOM 1085 C GLU A 67 -2.468 5.525 6.824 1.00 0.00 C ATOM 1086 O GLU A 67 -3.009 6.249 5.987 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.939 7.159 8.641 1.00 0.00 C ATOM 1088 CG GLU A 67 -3.298 6.811 9.234 1.00 0.00 C ATOM 1089 CD GLU A 67 -3.418 7.200 10.691 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -3.800 8.354 10.971 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.124 6.359 11.567 1.00 0.00 O ATOM 0 H GLU A 67 -0.527 7.065 6.094 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.994 5.249 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.236 7.349 9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.026 8.084 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.078 7.314 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.470 5.739 9.133 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.772 4.247 6.978 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.917 3.653 6.315 1.00 0.00 C ATOM 1100 C LYS A 68 -5.068 3.539 7.305 1.00 0.00 C ATOM 1101 O LYS A 68 -4.988 2.782 8.275 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.572 2.267 5.761 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.793 1.480 5.291 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.725 0.019 5.712 1.00 0.00 C ATOM 1105 CE LYS A 68 -5.296 -0.199 7.109 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.733 0.189 7.215 1.00 0.00 N ATOM 0 H LYS A 68 -2.239 3.600 7.559 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.207 4.291 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.879 2.379 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.055 1.695 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.696 1.934 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.868 1.542 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.276 -0.591 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.689 -0.318 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.187 -1.249 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.715 0.378 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.136 -0.207 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.812 1.226 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.254 -0.181 6.394 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.123 4.287 7.070 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.306 4.210 7.902 1.00 0.00 C ATOM 1122 C LYS A 69 -8.443 3.585 7.102 1.00 0.00 C ATOM 1123 O LYS A 69 -8.441 2.378 6.851 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.691 5.601 8.409 1.00 0.00 C ATOM 1125 CG LYS A 69 -7.388 5.816 9.881 1.00 0.00 C ATOM 1126 CD LYS A 69 -8.136 7.021 10.424 1.00 0.00 C ATOM 1127 CE LYS A 69 -9.455 6.618 11.063 1.00 0.00 C ATOM 1128 NZ LYS A 69 -10.537 6.445 10.059 1.00 0.00 N ATOM 0 H LYS A 69 -6.187 4.959 6.306 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.101 3.585 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.160 6.352 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.756 5.759 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.666 4.927 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.316 5.958 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.516 7.534 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.323 7.728 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.320 5.687 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.752 7.376 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.457 6.406 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.528 7.247 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.385 5.561 9.533 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.382 4.409 6.667 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.503 3.942 5.872 1.00 0.00 C ATOM 1144 C GLU A 70 -10.657 4.823 4.642 1.00 0.00 C ATOM 1145 O GLU A 70 -11.340 5.847 4.683 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.795 3.952 6.692 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.825 2.924 7.813 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.754 3.563 9.182 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.634 3.821 9.665 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -12.815 3.820 9.779 1.00 0.00 O ATOM 0 H GLU A 70 -9.388 5.412 6.853 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.307 2.916 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.934 4.945 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.638 3.772 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.738 2.334 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.989 2.235 7.693 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.990 4.441 3.564 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.080 5.196 2.334 1.00 0.00 C ATOM 1159 C GLY A 71 -8.728 5.423 1.691 1.00 0.00 C ATOM 1160 O GLY A 71 -8.630 5.528 0.471 1.00 0.00 O ATOM 0 H GLY A 71 -9.387 3.620 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.727 4.668 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.548 6.159 2.536 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.691 5.493 2.507 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.342 5.763 2.021 1.00 0.00 C ATOM 1166 C ASP A 72 -5.827 4.623 1.147 1.00 0.00 C ATOM 1167 O ASP A 72 -5.609 3.513 1.632 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.371 5.972 3.190 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.036 6.512 4.442 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.877 5.800 5.031 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.721 7.651 4.843 1.00 0.00 O ATOM 0 H ASP A 72 -7.755 5.366 3.517 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.395 6.673 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.889 5.023 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.585 6.661 2.880 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.644 4.907 -0.139 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.068 3.951 -1.079 1.00 0.00 C ATOM 1178 C ILE A 73 -3.580 4.236 -1.282 1.00 0.00 C ATOM 1179 O ILE A 73 -3.179 5.394 -1.429 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.795 4.009 -2.445 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.238 3.544 -2.289 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.076 3.172 -3.498 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.246 4.563 -2.760 1.00 0.00 C ATOM 0 H ILE A 73 -5.890 5.804 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.192 2.953 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.788 5.044 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.377 2.619 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.427 3.313 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.614 3.236 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.062 3.548 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.037 2.132 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.253 4.170 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.132 5.481 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.082 4.776 -3.816 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.747 3.188 -1.298 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.304 3.328 -1.477 1.00 0.00 C ATOM 1197 C PRO A 74 -0.955 3.730 -2.903 1.00 0.00 C ATOM 1198 O PRO A 74 -1.207 2.982 -3.844 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.776 1.927 -1.172 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.904 1.021 -1.513 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.152 1.779 -1.173 1.00 0.00 C ATOM 0 HA PRO A 74 -0.877 4.103 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.109 1.699 -1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.492 1.830 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.885 0.753 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.844 0.092 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.967 1.534 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.498 1.549 -0.165 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.387 4.910 -3.064 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.055 5.414 -4.386 1.00 0.00 C ATOM 1211 C VAL A 75 1.418 5.164 -4.698 1.00 0.00 C ATOM 1212 O VAL A 75 2.210 4.901 -3.794 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.385 6.918 -4.516 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.893 7.123 -4.499 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.287 7.722 -3.411 1.00 0.00 C ATOM 0 H VAL A 75 -0.145 5.538 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.665 4.874 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 75 0.005 7.278 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.117 8.186 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.343 6.584 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.301 6.746 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.038 8.777 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.063 7.370 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.368 7.595 -3.474 1.00 0.00 H new ATOM 1225 N PRO A 76 1.806 5.234 -5.982 1.00 0.00 N ATOM 1226 CA PRO A 76 3.188 4.977 -6.398 1.00 0.00 C ATOM 1227 C PRO A 76 4.165 5.963 -5.770 1.00 0.00 C ATOM 1228 O PRO A 76 5.289 5.608 -5.420 1.00 0.00 O ATOM 1229 CB PRO A 76 3.163 5.146 -7.921 1.00 0.00 C ATOM 1230 CG PRO A 76 1.898 5.873 -8.228 1.00 0.00 C ATOM 1231 CD PRO A 76 0.932 5.565 -7.118 1.00 0.00 C ATOM 0 HA PRO A 76 3.524 3.989 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.031 5.708 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.190 4.179 -8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.077 6.946 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.494 5.555 -9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.291 6.418 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.277 4.733 -7.376 1.00 0.00 H new ATOM 1239 N ASP A 77 3.709 7.195 -5.626 1.00 0.00 N ATOM 1240 CA ASP A 77 4.499 8.257 -5.030 1.00 0.00 C ATOM 1241 C ASP A 77 3.584 9.419 -4.688 1.00 0.00 C ATOM 1242 O ASP A 77 2.994 10.026 -5.580 1.00 0.00 O ATOM 1243 CB ASP A 77 5.604 8.713 -5.986 1.00 0.00 C ATOM 1244 CG ASP A 77 6.605 9.632 -5.317 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.204 10.723 -4.872 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.800 9.272 -5.247 1.00 0.00 O ATOM 0 H ASP A 77 2.777 7.487 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 77 4.975 7.885 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.124 7.839 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.156 9.227 -6.836 1.00 0.00 H new ATOM 1251 N PRO A 78 3.435 9.734 -3.395 1.00 0.00 N ATOM 1252 CA PRO A 78 2.513 10.777 -2.936 1.00 0.00 C ATOM 1253 C PRO A 78 2.923 12.184 -3.376 1.00 0.00 C ATOM 1254 O PRO A 78 2.149 13.132 -3.235 1.00 0.00 O ATOM 1255 CB PRO A 78 2.556 10.657 -1.410 1.00 0.00 C ATOM 1256 CG PRO A 78 3.850 9.985 -1.106 1.00 0.00 C ATOM 1257 CD PRO A 78 4.148 9.090 -2.276 1.00 0.00 C ATOM 0 HA PRO A 78 1.519 10.638 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.501 11.637 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.713 10.075 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.645 10.718 -0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.781 9.408 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.219 9.024 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.792 8.074 -2.105 1.00 0.00 H new ATOM 1265 N THR A 79 4.128 12.320 -3.908 1.00 0.00 N ATOM 1266 CA THR A 79 4.603 13.614 -4.371 1.00 0.00 C ATOM 1267 C THR A 79 4.719 13.647 -5.896 1.00 0.00 C ATOM 1268 O THR A 79 4.966 14.696 -6.488 1.00 0.00 O ATOM 1269 CB THR A 79 5.960 13.964 -3.728 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.694 12.766 -3.443 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.754 14.740 -2.438 1.00 0.00 C ATOM 0 H THR A 79 4.791 11.555 -4.029 1.00 0.00 H new ATOM 0 HA THR A 79 3.870 14.361 -4.066 1.00 0.00 H new ATOM 0 HB THR A 79 6.521 14.579 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.651 12.165 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.722 14.978 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.215 15.663 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.177 14.136 -1.738 1.00 0.00 H new ATOM 1279 N VAL A 80 4.529 12.494 -6.528 1.00 0.00 N ATOM 1280 CA VAL A 80 4.612 12.394 -7.979 1.00 0.00 C ATOM 1281 C VAL A 80 3.231 12.127 -8.576 1.00 0.00 C ATOM 1282 O VAL A 80 2.804 12.796 -9.521 1.00 0.00 O ATOM 1283 CB VAL A 80 5.597 11.278 -8.402 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.376 10.859 -9.848 1.00 0.00 C ATOM 1285 CG2 VAL A 80 7.035 11.729 -8.192 1.00 0.00 C ATOM 0 H VAL A 80 4.316 11.615 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 80 4.985 13.345 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 80 5.406 10.410 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.085 10.074 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.359 10.485 -9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.526 11.718 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.714 10.932 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.229 12.618 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.194 11.960 -7.139 1.00 0.00 H new ATOM 1295 N ASP A 81 2.533 11.158 -8.008 1.00 0.00 N ATOM 1296 CA ASP A 81 1.200 10.794 -8.470 1.00 0.00 C ATOM 1297 C ASP A 81 0.151 11.443 -7.580 1.00 0.00 C ATOM 1298 O ASP A 81 0.482 12.216 -6.678 1.00 0.00 O ATOM 1299 CB ASP A 81 1.023 9.271 -8.463 1.00 0.00 C ATOM 1300 CG ASP A 81 0.103 8.780 -9.567 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.130 8.923 -9.431 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.611 8.241 -10.573 1.00 0.00 O ATOM 0 H ASP A 81 2.869 10.604 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 81 1.076 11.151 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.998 8.796 -8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.622 8.961 -7.498 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.107 11.124 -7.820 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.189 11.686 -7.034 1.00 0.00 C ATOM 1309 C LYS A 82 -2.640 10.685 -5.985 1.00 0.00 C ATOM 1310 O LYS A 82 -3.258 9.670 -6.314 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.370 12.077 -7.928 1.00 0.00 C ATOM 1312 CG LYS A 82 -2.988 12.372 -9.371 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.723 11.455 -10.328 1.00 0.00 C ATOM 1314 CE LYS A 82 -3.029 11.380 -11.675 1.00 0.00 C ATOM 1315 NZ LYS A 82 -3.930 10.853 -12.730 1.00 0.00 N ATOM 0 H LYS A 82 -1.405 10.479 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.823 12.586 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.103 11.271 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.856 12.956 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.220 13.411 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.912 12.249 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.790 10.456 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.744 11.813 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.678 12.372 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.149 10.741 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.420 10.817 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.245 9.896 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.757 11.476 -12.823 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.280 10.955 -4.733 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.714 10.145 -3.603 1.00 0.00 C ATOM 1331 C GLN A 83 -4.226 9.927 -3.644 1.00 0.00 C ATOM 1332 O GLN A 83 -5.000 10.884 -3.736 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.309 10.814 -2.288 1.00 0.00 C ATOM 1334 CG GLN A 83 -1.880 9.832 -1.211 1.00 0.00 C ATOM 1335 CD GLN A 83 -3.058 9.297 -0.427 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -3.729 10.041 0.281 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.318 8.006 -0.551 1.00 0.00 N ATOM 0 H GLN A 83 -1.681 11.739 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.226 9.172 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.491 11.509 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.147 11.403 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.344 9.002 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.184 10.322 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.734 7.423 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.103 7.593 -0.047 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.639 8.666 -3.581 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.043 8.322 -3.720 1.00 0.00 C ATOM 1348 C ILE A 84 -6.653 7.993 -2.366 1.00 0.00 C ATOM 1349 O ILE A 84 -6.073 7.245 -1.577 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.273 7.123 -4.673 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.271 7.127 -5.832 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.698 7.146 -5.214 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.734 5.753 -6.168 1.00 0.00 C ATOM 0 H ILE A 84 -4.020 7.869 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.528 9.198 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.120 6.208 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.751 7.547 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.438 7.783 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.847 6.298 -5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.403 7.083 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.864 8.074 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.031 5.830 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.225 5.338 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.559 5.099 -6.452 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.816 8.564 -2.092 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.535 8.287 -0.857 1.00 0.00 C ATOM 1367 C LYS A 85 -10.022 8.115 -1.141 1.00 0.00 C ATOM 1368 O LYS A 85 -10.640 8.966 -1.782 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.336 9.414 0.161 1.00 0.00 C ATOM 1370 CG LYS A 85 -6.886 9.667 0.540 1.00 0.00 C ATOM 1371 CD LYS A 85 -6.605 9.274 1.980 1.00 0.00 C ATOM 1372 CE LYS A 85 -6.899 10.415 2.937 1.00 0.00 C ATOM 1373 NZ LYS A 85 -6.715 10.008 4.354 1.00 0.00 N ATOM 0 H LYS A 85 -8.284 9.225 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.135 7.364 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.759 10.333 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.899 9.176 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.232 9.103 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.652 10.722 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.212 8.409 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.562 8.974 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.243 11.256 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.922 10.760 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.568 10.249 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.552 8.982 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.896 10.508 4.755 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.589 7.016 -0.664 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.016 6.765 -0.802 1.00 0.00 C ATOM 1389 C ILE A 86 -12.782 7.565 0.239 1.00 0.00 C ATOM 1390 O ILE A 86 -12.383 7.622 1.403 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.367 5.270 -0.627 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.333 4.379 -1.311 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.752 4.981 -1.182 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.907 3.194 -0.470 1.00 0.00 C ATOM 0 H ILE A 86 -10.079 6.280 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.298 7.068 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.359 5.047 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.744 4.017 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.454 4.976 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.983 3.924 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.490 5.583 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.778 5.229 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.172 2.605 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.467 3.549 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.776 2.574 -0.248 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.869 8.189 -0.182 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.684 8.979 0.720 1.00 0.00 C ATOM 1408 C GLU A 87 -15.545 8.072 1.593 1.00 0.00 C ATOM 1409 O GLU A 87 -16.569 7.544 1.152 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.555 9.949 -0.072 1.00 0.00 C ATOM 1411 CG GLU A 87 -16.130 11.073 0.767 1.00 0.00 C ATOM 1412 CD GLU A 87 -17.396 11.640 0.172 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -18.420 10.924 0.153 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -17.372 12.801 -0.291 1.00 0.00 O ATOM 0 H GLU A 87 -14.206 8.163 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.027 9.556 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.964 10.377 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.373 9.396 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.336 10.705 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.389 11.867 0.864 1.00 0.00 H new