USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 410 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 5 GLN : amide:sc= 0.322 K(o=0.66,f=-0.45) USER MOD Set 1.2: A 19 TYR OH : rot -15:sc= 0.335 USER MOD Single : A 1 GLY N :NH3+ 154:sc= 1.21 (180deg=0.764) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00939 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.591 K(o=0.59,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 21 ASN : amide:sc= -0.0754 K(o=-0.075,f=-0.75) USER MOD Single : B 1 PHE N :NH3+ -115:sc= 0.0799 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 5 HIS : no HE2:sc= 0.799 K(o=0.8,f=-2.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : B 16 TYR OH : rot 4:sc= 1.17 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 87:sc= 1.26 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0.897 (180deg=0.842) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.622 -2.876 4.271 1.00 0.00 N ATOM 2 CA GLY A 1 10.385 -4.137 4.134 1.00 0.00 C ATOM 3 C GLY A 1 9.979 -4.903 2.885 1.00 0.00 C ATOM 4 O GLY A 1 9.804 -4.293 1.833 1.00 0.00 O ATOM 0 H1 GLY A 1 9.574 -2.607 5.274 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.096 -2.123 3.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.659 -3.011 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.452 -3.915 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.221 -4.760 5.013 1.00 0.00 H new ATOM 10 N ILE A 2 9.825 -6.228 3.015 1.00 0.00 N ATOM 11 CA ILE A 2 9.285 -7.260 2.091 1.00 0.00 C ATOM 12 C ILE A 2 9.932 -7.385 0.697 1.00 0.00 C ATOM 13 O ILE A 2 10.262 -8.495 0.274 1.00 0.00 O ATOM 14 CB ILE A 2 7.732 -7.257 2.074 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.105 -8.468 1.346 1.00 0.00 C ATOM 16 CG2 ILE A 2 7.098 -5.991 1.471 1.00 0.00 C ATOM 17 CD1 ILE A 2 7.503 -9.837 1.906 1.00 0.00 C ATOM 0 H ILE A 2 10.113 -6.670 3.888 1.00 0.00 H new ATOM 0 HA ILE A 2 9.616 -8.197 2.538 1.00 0.00 H new ATOM 0 HB ILE A 2 7.504 -7.304 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.020 -8.376 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.387 -8.426 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.012 -6.078 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.408 -5.119 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.424 -5.878 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.013 -10.622 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.584 -9.958 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.195 -9.907 2.949 1.00 0.00 H new ATOM 29 N VAL A 3 10.151 -6.276 -0.010 1.00 0.00 N ATOM 30 CA VAL A 3 10.768 -6.229 -1.348 1.00 0.00 C ATOM 31 C VAL A 3 11.984 -5.303 -1.445 1.00 0.00 C ATOM 32 O VAL A 3 12.846 -5.523 -2.290 1.00 0.00 O ATOM 33 CB VAL A 3 9.735 -5.888 -2.439 1.00 0.00 C ATOM 34 CG1 VAL A 3 8.658 -6.974 -2.560 1.00 0.00 C ATOM 35 CG2 VAL A 3 9.047 -4.530 -2.225 1.00 0.00 C ATOM 0 H VAL A 3 9.898 -5.352 0.339 1.00 0.00 H new ATOM 0 HA VAL A 3 11.143 -7.238 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 3 10.311 -5.833 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.948 -6.697 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.127 -7.924 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.133 -7.073 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.332 -4.353 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.524 -4.534 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.796 -3.738 -2.225 1.00 0.00 H new ATOM 45 N GLU A 4 12.097 -4.299 -0.575 1.00 0.00 N ATOM 46 CA GLU A 4 13.209 -3.336 -0.655 1.00 0.00 C ATOM 47 C GLU A 4 14.521 -3.900 -0.099 1.00 0.00 C ATOM 48 O GLU A 4 15.578 -3.652 -0.675 1.00 0.00 O ATOM 49 CB GLU A 4 12.807 -2.004 -0.002 1.00 0.00 C ATOM 50 CG GLU A 4 12.752 -2.039 1.534 1.00 0.00 C ATOM 51 CD GLU A 4 12.058 -0.792 2.105 1.00 0.00 C ATOM 52 OE1 GLU A 4 12.590 0.334 1.952 1.00 0.00 O ATOM 53 OE2 GLU A 4 10.979 -0.940 2.726 1.00 0.00 O ATOM 0 H GLU A 4 11.442 -4.127 0.188 1.00 0.00 H new ATOM 0 HA GLU A 4 13.410 -3.142 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.515 -1.234 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.829 -1.708 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.220 -2.933 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.764 -2.108 1.933 1.00 0.00 H new ATOM 60 N GLN A 5 14.456 -4.706 0.964 1.00 0.00 N ATOM 61 CA GLN A 5 15.627 -5.174 1.720 1.00 0.00 C ATOM 62 C GLN A 5 16.565 -6.033 0.858 1.00 0.00 C ATOM 63 O GLN A 5 17.776 -5.822 0.852 1.00 0.00 O ATOM 64 CB GLN A 5 15.146 -5.974 2.941 1.00 0.00 C ATOM 65 CG GLN A 5 14.378 -5.121 3.961 1.00 0.00 C ATOM 66 CD GLN A 5 13.673 -5.994 4.998 1.00 0.00 C ATOM 67 OE1 GLN A 5 12.529 -6.388 4.828 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.319 -6.350 6.086 1.00 0.00 N ATOM 0 H GLN A 5 13.573 -5.060 1.332 1.00 0.00 H new ATOM 0 HA GLN A 5 16.198 -4.303 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.506 -6.789 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.007 -6.428 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.068 -4.442 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.644 -4.504 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.275 -6.028 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.865 -6.948 6.776 1.00 0.00 H new ATOM 77 N CYS A 6 15.994 -6.951 0.073 1.00 0.00 N ATOM 78 CA CYS A 6 16.732 -7.838 -0.829 1.00 0.00 C ATOM 79 C CYS A 6 17.089 -7.190 -2.177 1.00 0.00 C ATOM 80 O CYS A 6 17.930 -7.718 -2.905 1.00 0.00 O ATOM 81 CB CYS A 6 15.908 -9.111 -1.034 1.00 0.00 C ATOM 82 SG CYS A 6 15.432 -9.977 0.485 1.00 0.00 S ATOM 0 H CYS A 6 14.985 -7.101 0.047 1.00 0.00 H new ATOM 0 HA CYS A 6 17.690 -8.069 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.003 -8.854 -1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.479 -9.797 -1.660 1.00 0.00 H new ATOM 87 N CYS A 7 16.466 -6.055 -2.514 1.00 0.00 N ATOM 88 CA CYS A 7 16.811 -5.263 -3.695 1.00 0.00 C ATOM 89 C CYS A 7 17.954 -4.264 -3.402 1.00 0.00 C ATOM 90 O CYS A 7 18.848 -4.074 -4.232 1.00 0.00 O ATOM 91 CB CYS A 7 15.520 -4.614 -4.206 1.00 0.00 C ATOM 92 SG CYS A 7 15.681 -3.678 -5.751 1.00 0.00 S ATOM 0 H CYS A 7 15.701 -5.659 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 7 17.215 -5.894 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.773 -5.395 -4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.139 -3.946 -3.434 1.00 0.00 H new ATOM 97 N THR A 8 17.979 -3.671 -2.197 1.00 0.00 N ATOM 98 CA THR A 8 18.975 -2.672 -1.754 1.00 0.00 C ATOM 99 C THR A 8 20.192 -3.267 -1.020 1.00 0.00 C ATOM 100 O THR A 8 21.251 -2.635 -0.951 1.00 0.00 O ATOM 101 CB THR A 8 18.270 -1.578 -0.929 1.00 0.00 C ATOM 102 OG1 THR A 8 19.037 -0.390 -0.932 1.00 0.00 O ATOM 103 CG2 THR A 8 17.992 -1.963 0.525 1.00 0.00 C ATOM 0 H THR A 8 17.285 -3.878 -1.478 1.00 0.00 H new ATOM 0 HA THR A 8 19.405 -2.228 -2.652 1.00 0.00 H new ATOM 0 HB THR A 8 17.305 -1.435 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.578 0.297 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.494 -1.136 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.350 -2.844 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.933 -2.184 1.029 1.00 0.00 H new ATOM 111 N SER A 9 20.079 -4.504 -0.518 1.00 0.00 N ATOM 112 CA SER A 9 21.158 -5.303 0.089 1.00 0.00 C ATOM 113 C SER A 9 21.027 -6.793 -0.281 1.00 0.00 C ATOM 114 O SER A 9 20.100 -7.178 -0.996 1.00 0.00 O ATOM 115 CB SER A 9 21.143 -5.121 1.611 1.00 0.00 C ATOM 116 OG SER A 9 22.382 -5.532 2.173 1.00 0.00 O ATOM 0 H SER A 9 19.189 -5.002 -0.523 1.00 0.00 H new ATOM 0 HA SER A 9 22.112 -4.950 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.954 -4.076 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.329 -5.702 2.045 1.00 0.00 H new ATOM 0 HG SER A 9 22.357 -5.408 3.145 1.00 0.00 H new ATOM 122 N ILE A 10 21.942 -7.648 0.187 1.00 0.00 N ATOM 123 CA ILE A 10 21.899 -9.099 -0.071 1.00 0.00 C ATOM 124 C ILE A 10 20.837 -9.806 0.785 1.00 0.00 C ATOM 125 O ILE A 10 20.533 -9.377 1.905 1.00 0.00 O ATOM 126 CB ILE A 10 23.289 -9.774 0.051 1.00 0.00 C ATOM 127 CG1 ILE A 10 23.909 -9.747 1.470 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.264 -9.154 -0.959 1.00 0.00 C ATOM 129 CD1 ILE A 10 23.534 -10.964 2.330 1.00 0.00 C ATOM 0 H ILE A 10 22.736 -7.357 0.757 1.00 0.00 H new ATOM 0 HA ILE A 10 21.598 -9.213 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 10 23.118 -10.828 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.994 -9.696 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.587 -8.839 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.238 -9.634 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.882 -9.300 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.365 -8.087 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.004 -10.876 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 10 22.451 -11.005 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 10 23.880 -11.875 1.842 1.00 0.00 H new ATOM 141 N CYS A 11 20.312 -10.928 0.283 1.00 0.00 N ATOM 142 CA CYS A 11 19.430 -11.816 1.041 1.00 0.00 C ATOM 143 C CYS A 11 19.796 -13.302 0.919 1.00 0.00 C ATOM 144 O CYS A 11 19.889 -13.853 -0.181 1.00 0.00 O ATOM 145 CB CYS A 11 17.972 -11.592 0.640 1.00 0.00 C ATOM 146 SG CYS A 11 17.196 -10.182 1.463 1.00 0.00 S ATOM 0 H CYS A 11 20.490 -11.247 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 11 19.567 -11.554 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.920 -11.444 -0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.401 -12.492 0.866 1.00 0.00 H new ATOM 151 N SER A 12 19.931 -13.949 2.079 1.00 0.00 N ATOM 152 CA SER A 12 20.041 -15.404 2.244 1.00 0.00 C ATOM 153 C SER A 12 18.669 -16.018 2.552 1.00 0.00 C ATOM 154 O SER A 12 17.724 -15.311 2.910 1.00 0.00 O ATOM 155 CB SER A 12 21.047 -15.740 3.358 1.00 0.00 C ATOM 156 OG SER A 12 22.343 -15.290 3.005 1.00 0.00 O ATOM 0 H SER A 12 19.968 -13.453 2.969 1.00 0.00 H new ATOM 0 HA SER A 12 20.403 -15.832 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.735 -15.273 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.063 -16.816 3.530 1.00 0.00 H new ATOM 0 HG SER A 12 22.972 -15.509 3.724 1.00 0.00 H new ATOM 162 N LEU A 13 18.547 -17.348 2.477 1.00 0.00 N ATOM 163 CA LEU A 13 17.284 -18.057 2.728 1.00 0.00 C ATOM 164 C LEU A 13 16.638 -17.750 4.090 1.00 0.00 C ATOM 165 O LEU A 13 15.415 -17.694 4.183 1.00 0.00 O ATOM 166 CB LEU A 13 17.458 -19.574 2.509 1.00 0.00 C ATOM 167 CG LEU A 13 18.181 -20.396 3.594 1.00 0.00 C ATOM 168 CD1 LEU A 13 18.139 -21.873 3.202 1.00 0.00 C ATOM 169 CD2 LEU A 13 19.654 -20.009 3.761 1.00 0.00 C ATOM 0 H LEU A 13 19.323 -17.966 2.240 1.00 0.00 H new ATOM 0 HA LEU A 13 16.577 -17.671 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.466 -20.005 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.998 -19.714 1.572 1.00 0.00 H new ATOM 0 HG LEU A 13 17.667 -20.197 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.648 -22.466 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.102 -22.199 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.637 -22.009 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.106 -20.624 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.181 -20.169 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.725 -18.958 4.042 1.00 0.00 H new ATOM 181 N TYR A 14 17.430 -17.458 5.124 1.00 0.00 N ATOM 182 CA TYR A 14 16.927 -17.116 6.460 1.00 0.00 C ATOM 183 C TYR A 14 16.220 -15.746 6.506 1.00 0.00 C ATOM 184 O TYR A 14 15.292 -15.552 7.295 1.00 0.00 O ATOM 185 CB TYR A 14 18.094 -17.178 7.456 1.00 0.00 C ATOM 186 CG TYR A 14 18.945 -18.437 7.394 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.343 -19.713 7.370 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.350 -18.329 7.351 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.140 -20.874 7.324 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.150 -19.488 7.307 1.00 0.00 C ATOM 191 CZ TYR A 14 20.547 -20.765 7.301 1.00 0.00 C ATOM 192 OH TYR A 14 21.316 -21.890 7.264 1.00 0.00 O ATOM 0 H TYR A 14 18.448 -17.452 5.059 1.00 0.00 H new ATOM 0 HA TYR A 14 16.164 -17.844 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.739 -16.316 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.693 -17.082 8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.267 -19.800 7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.815 -17.354 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.674 -21.848 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.226 -19.400 7.278 1.00 0.00 H new ATOM 0 HH TYR A 14 22.263 -21.639 7.251 1.00 0.00 H new ATOM 202 N GLN A 15 16.611 -14.811 5.629 1.00 0.00 N ATOM 203 CA GLN A 15 15.928 -13.523 5.441 1.00 0.00 C ATOM 204 C GLN A 15 14.636 -13.686 4.622 1.00 0.00 C ATOM 205 O GLN A 15 13.665 -12.966 4.852 1.00 0.00 O ATOM 206 CB GLN A 15 16.877 -12.516 4.761 1.00 0.00 C ATOM 207 CG GLN A 15 18.090 -12.132 5.628 1.00 0.00 C ATOM 208 CD GLN A 15 19.193 -11.498 4.789 1.00 0.00 C ATOM 209 OE1 GLN A 15 20.152 -12.150 4.398 1.00 0.00 O ATOM 210 NE2 GLN A 15 19.085 -10.241 4.419 1.00 0.00 N ATOM 0 H GLN A 15 17.422 -14.930 5.022 1.00 0.00 H new ATOM 0 HA GLN A 15 15.649 -13.141 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 15 17.232 -12.941 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 15 16.318 -11.614 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 15 17.777 -11.436 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.476 -13.019 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.292 -9.683 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.794 -9.824 3.816 1.00 0.00 H new ATOM 219 N LEU A 16 14.594 -14.661 3.706 1.00 0.00 N ATOM 220 CA LEU A 16 13.411 -14.975 2.898 1.00 0.00 C ATOM 221 C LEU A 16 12.366 -15.790 3.690 1.00 0.00 C ATOM 222 O LEU A 16 11.172 -15.501 3.609 1.00 0.00 O ATOM 223 CB LEU A 16 13.877 -15.667 1.600 1.00 0.00 C ATOM 224 CG LEU A 16 14.681 -14.750 0.652 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.349 -15.574 -0.448 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.796 -13.711 -0.034 1.00 0.00 C ATOM 0 H LEU A 16 15.393 -15.262 3.503 1.00 0.00 H new ATOM 0 HA LEU A 16 12.890 -14.056 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.490 -16.530 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.004 -16.045 1.069 1.00 0.00 H new ATOM 0 HG LEU A 16 15.421 -14.244 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.911 -14.913 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.026 -16.300 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.586 -16.098 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.406 -13.090 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.030 -14.217 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.320 -13.084 0.720 1.00 0.00 H new ATOM 238 N GLU A 17 12.775 -16.732 4.544 1.00 0.00 N ATOM 239 CA GLU A 17 11.852 -17.465 5.429 1.00 0.00 C ATOM 240 C GLU A 17 11.120 -16.557 6.437 1.00 0.00 C ATOM 241 O GLU A 17 10.016 -16.892 6.864 1.00 0.00 O ATOM 242 CB GLU A 17 12.566 -18.607 6.170 1.00 0.00 C ATOM 243 CG GLU A 17 12.860 -19.805 5.259 1.00 0.00 C ATOM 244 CD GLU A 17 13.117 -21.080 6.081 1.00 0.00 C ATOM 245 OE1 GLU A 17 14.192 -21.208 6.715 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.230 -21.971 6.084 1.00 0.00 O ATOM 0 H GLU A 17 13.751 -17.011 4.645 1.00 0.00 H new ATOM 0 HA GLU A 17 11.094 -17.888 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.501 -18.235 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.949 -18.934 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.019 -19.967 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.729 -19.588 4.638 1.00 0.00 H new ATOM 253 N ASN A 18 11.663 -15.376 6.761 1.00 0.00 N ATOM 254 CA ASN A 18 10.971 -14.366 7.568 1.00 0.00 C ATOM 255 C ASN A 18 9.699 -13.833 6.873 1.00 0.00 C ATOM 256 O ASN A 18 8.691 -13.582 7.533 1.00 0.00 O ATOM 257 CB ASN A 18 11.962 -13.233 7.879 1.00 0.00 C ATOM 258 CG ASN A 18 11.410 -12.207 8.858 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.778 -12.525 9.857 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.646 -10.938 8.609 1.00 0.00 N ATOM 0 H ASN A 18 12.599 -15.094 6.469 1.00 0.00 H new ATOM 0 HA ASN A 18 10.630 -14.824 8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.877 -13.661 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.233 -12.731 6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.303 -10.221 9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.172 -10.671 7.777 1.00 0.00 H new ATOM 267 N TYR A 19 9.712 -13.723 5.539 1.00 0.00 N ATOM 268 CA TYR A 19 8.530 -13.400 4.728 1.00 0.00 C ATOM 269 C TYR A 19 7.624 -14.622 4.537 1.00 0.00 C ATOM 270 O TYR A 19 6.398 -14.495 4.555 1.00 0.00 O ATOM 271 CB TYR A 19 8.958 -12.871 3.354 1.00 0.00 C ATOM 272 CG TYR A 19 10.051 -11.819 3.343 1.00 0.00 C ATOM 273 CD1 TYR A 19 10.050 -10.756 4.269 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.069 -11.905 2.369 1.00 0.00 C ATOM 275 CE1 TYR A 19 11.069 -9.786 4.236 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.088 -10.933 2.331 1.00 0.00 C ATOM 277 CZ TYR A 19 12.087 -9.870 3.259 1.00 0.00 C ATOM 278 OH TYR A 19 13.060 -8.921 3.212 1.00 0.00 O ATOM 0 H TYR A 19 10.557 -13.858 4.983 1.00 0.00 H new ATOM 0 HA TYR A 19 7.968 -12.634 5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.292 -13.716 2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.080 -12.455 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.264 -10.686 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.067 -12.715 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.073 -8.980 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.871 -11.002 1.590 1.00 0.00 H new ATOM 0 HH TYR A 19 12.787 -8.146 3.746 1.00 0.00 H new ATOM 288 N CYS A 20 8.214 -15.816 4.390 1.00 0.00 N ATOM 289 CA CYS A 20 7.465 -17.069 4.230 1.00 0.00 C ATOM 290 C CYS A 20 6.583 -17.385 5.458 1.00 0.00 C ATOM 291 O CYS A 20 5.448 -17.842 5.315 1.00 0.00 O ATOM 292 CB CYS A 20 8.445 -18.214 3.955 1.00 0.00 C ATOM 293 SG CYS A 20 7.665 -19.640 3.160 1.00 0.00 S ATOM 0 H CYS A 20 9.226 -15.940 4.379 1.00 0.00 H new ATOM 0 HA CYS A 20 6.789 -16.954 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.253 -17.849 3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.897 -18.531 4.895 1.00 0.00 H new ATOM 298 N ASN A 21 7.082 -17.073 6.663 1.00 0.00 N ATOM 299 CA ASN A 21 6.369 -17.211 7.937 1.00 0.00 C ATOM 300 C ASN A 21 5.546 -15.955 8.333 1.00 0.00 C ATOM 301 O ASN A 21 5.117 -15.826 9.483 1.00 0.00 O ATOM 302 CB ASN A 21 7.404 -17.629 9.001 1.00 0.00 C ATOM 303 CG ASN A 21 6.782 -18.200 10.270 1.00 0.00 C ATOM 304 OD1 ASN A 21 5.714 -18.795 10.276 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.457 -18.074 11.394 1.00 0.00 N ATOM 0 H ASN A 21 8.026 -16.705 6.779 1.00 0.00 H new ATOM 0 HA ASN A 21 5.604 -17.982 7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.075 -18.372 8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.012 -16.763 9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.088 -18.471 12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.349 -17.580 11.400 1.00 0.00 H new ATOM 312 N GLY A 22 5.343 -15.011 7.399 1.00 0.00 N ATOM 313 CA GLY A 22 4.594 -13.755 7.599 1.00 0.00 C ATOM 314 C GLY A 22 3.095 -13.958 7.845 1.00 0.00 C ATOM 315 O GLY A 22 2.455 -14.697 7.061 1.00 0.00 O ATOM 316 OXT GLY A 22 2.562 -13.348 8.799 1.00 0.00 O ATOM 0 H GLY A 22 5.708 -15.103 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.022 -13.219 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.726 -13.121 6.722 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 25.222 -20.772 1.444 1.00 0.00 N ATOM 322 CA PHE B 1 24.191 -20.161 0.562 1.00 0.00 C ATOM 323 C PHE B 1 24.773 -18.968 -0.207 1.00 0.00 C ATOM 324 O PHE B 1 25.837 -18.455 0.148 1.00 0.00 O ATOM 325 CB PHE B 1 22.940 -19.760 1.367 1.00 0.00 C ATOM 326 CG PHE B 1 21.688 -19.535 0.535 1.00 0.00 C ATOM 327 CD1 PHE B 1 20.949 -20.633 0.048 1.00 0.00 C ATOM 328 CD2 PHE B 1 21.248 -18.227 0.264 1.00 0.00 C ATOM 329 CE1 PHE B 1 19.783 -20.416 -0.706 1.00 0.00 C ATOM 330 CE2 PHE B 1 20.084 -18.010 -0.499 1.00 0.00 C ATOM 331 CZ PHE B 1 19.353 -19.107 -0.985 1.00 0.00 C ATOM 0 H1 PHE B 1 25.428 -21.738 1.119 1.00 0.00 H new ATOM 0 H2 PHE B 1 26.091 -20.202 1.409 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.868 -20.804 2.421 1.00 0.00 H new ATOM 0 HA PHE B 1 23.881 -20.908 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.735 -20.538 2.103 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.159 -18.847 1.921 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.279 -21.640 0.254 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.806 -17.384 0.643 1.00 0.00 H new ATOM 0 HE1 PHE B 1 19.215 -21.258 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE B 1 19.754 -17.003 -0.710 1.00 0.00 H new ATOM 0 HZ PHE B 1 18.461 -18.945 -1.572 1.00 0.00 H new ATOM 343 N VAL B 2 24.095 -18.507 -1.261 1.00 0.00 N ATOM 344 CA VAL B 2 24.511 -17.355 -2.088 1.00 0.00 C ATOM 345 C VAL B 2 24.312 -16.003 -1.385 1.00 0.00 C ATOM 346 O VAL B 2 23.426 -15.847 -0.546 1.00 0.00 O ATOM 347 CB VAL B 2 23.807 -17.364 -3.456 1.00 0.00 C ATOM 348 CG1 VAL B 2 24.275 -18.556 -4.299 1.00 0.00 C ATOM 349 CG2 VAL B 2 22.276 -17.401 -3.363 1.00 0.00 C ATOM 0 H VAL B 2 23.221 -18.929 -1.576 1.00 0.00 H new ATOM 0 HA VAL B 2 25.583 -17.472 -2.246 1.00 0.00 H new ATOM 0 HB VAL B 2 24.085 -16.422 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL B 2 23.765 -18.543 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL B 2 25.351 -18.489 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL B 2 24.042 -19.484 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL B 2 21.851 -17.405 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL B 2 21.965 -18.301 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL B 2 21.923 -16.522 -2.823 1.00 0.00 H new ATOM 359 N ASN B 3 25.130 -15.010 -1.747 1.00 0.00 N ATOM 360 CA ASN B 3 25.085 -13.641 -1.213 1.00 0.00 C ATOM 361 C ASN B 3 24.832 -12.659 -2.370 1.00 0.00 C ATOM 362 O ASN B 3 25.770 -12.167 -3.000 1.00 0.00 O ATOM 363 CB ASN B 3 26.394 -13.354 -0.447 1.00 0.00 C ATOM 364 CG ASN B 3 26.517 -14.124 0.863 1.00 0.00 C ATOM 365 OD1 ASN B 3 26.210 -13.628 1.937 1.00 0.00 O ATOM 366 ND2 ASN B 3 26.973 -15.358 0.828 1.00 0.00 N ATOM 0 H ASN B 3 25.866 -15.139 -2.442 1.00 0.00 H new ATOM 0 HA ASN B 3 24.267 -13.518 -0.504 1.00 0.00 H new ATOM 0 HB2 ASN B 3 27.241 -13.603 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN B 3 26.456 -12.286 -0.238 1.00 0.00 H new ATOM 0 HD21 ASN B 3 27.067 -15.891 1.692 1.00 0.00 H new ATOM 0 HD22 ASN B 3 27.232 -15.781 -0.063 1.00 0.00 H new ATOM 373 N GLN B 4 23.554 -12.429 -2.693 1.00 0.00 N ATOM 374 CA GLN B 4 23.115 -11.694 -3.890 1.00 0.00 C ATOM 375 C GLN B 4 21.902 -10.782 -3.640 1.00 0.00 C ATOM 376 O GLN B 4 21.116 -11.018 -2.719 1.00 0.00 O ATOM 377 CB GLN B 4 22.834 -12.689 -5.037 1.00 0.00 C ATOM 378 CG GLN B 4 21.644 -13.632 -4.768 1.00 0.00 C ATOM 379 CD GLN B 4 21.370 -14.609 -5.915 1.00 0.00 C ATOM 380 OE1 GLN B 4 22.080 -14.694 -6.910 1.00 0.00 O ATOM 381 NE2 GLN B 4 20.317 -15.396 -5.814 1.00 0.00 N ATOM 0 H GLN B 4 22.777 -12.755 -2.118 1.00 0.00 H new ATOM 0 HA GLN B 4 23.929 -11.027 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN B 4 22.641 -12.129 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN B 4 23.727 -13.288 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN B 4 21.838 -14.198 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN B 4 20.750 -13.035 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN B 4 19.715 -15.339 -4.993 1.00 0.00 H new ATOM 0 HE22 GLN B 4 20.105 -16.062 -6.557 1.00 0.00 H new ATOM 390 N HIS B 5 21.742 -9.765 -4.496 1.00 0.00 N ATOM 391 CA HIS B 5 20.539 -8.931 -4.574 1.00 0.00 C ATOM 392 C HIS B 5 19.511 -9.578 -5.518 1.00 0.00 C ATOM 393 O HIS B 5 19.876 -10.192 -6.523 1.00 0.00 O ATOM 394 CB HIS B 5 20.871 -7.518 -5.087 1.00 0.00 C ATOM 395 CG HIS B 5 21.703 -6.644 -4.180 1.00 0.00 C ATOM 396 ND1 HIS B 5 21.426 -5.337 -3.841 1.00 0.00 N ATOM 397 CD2 HIS B 5 22.932 -6.938 -3.656 1.00 0.00 C ATOM 398 CE1 HIS B 5 22.461 -4.859 -3.132 1.00 0.00 C ATOM 399 NE2 HIS B 5 23.405 -5.804 -2.979 1.00 0.00 N ATOM 0 H HIS B 5 22.461 -9.494 -5.167 1.00 0.00 H new ATOM 0 HA HIS B 5 20.125 -8.850 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.394 -7.616 -6.038 1.00 0.00 H new ATOM 0 HB3 HIS B 5 19.933 -7.001 -5.291 1.00 0.00 H new ATOM 0 HD1 HIS B 5 20.581 -4.822 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS B 5 23.449 -7.882 -3.748 1.00 0.00 H new ATOM 0 HE1 HIS B 5 22.526 -3.855 -2.739 1.00 0.00 H new ATOM 407 N LEU B 6 18.224 -9.375 -5.232 1.00 0.00 N ATOM 408 CA LEU B 6 17.086 -9.709 -6.099 1.00 0.00 C ATOM 409 C LEU B 6 16.001 -8.633 -5.981 1.00 0.00 C ATOM 410 O LEU B 6 15.718 -8.142 -4.889 1.00 0.00 O ATOM 411 CB LEU B 6 16.496 -11.077 -5.715 1.00 0.00 C ATOM 412 CG LEU B 6 17.360 -12.300 -6.067 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.719 -13.540 -5.460 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.485 -12.530 -7.574 1.00 0.00 C ATOM 0 H LEU B 6 17.930 -8.954 -4.350 1.00 0.00 H new ATOM 0 HA LEU B 6 17.442 -9.754 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.311 -11.083 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.529 -11.185 -6.206 1.00 0.00 H new ATOM 0 HG LEU B 6 18.358 -12.112 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.321 -14.416 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.661 -13.427 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.715 -13.666 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.106 -13.407 -7.758 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.495 -12.691 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.943 -11.657 -8.039 1.00 0.00 H new ATOM 426 N CYS B 7 15.366 -8.294 -7.103 1.00 0.00 N ATOM 427 CA CYS B 7 14.334 -7.257 -7.181 1.00 0.00 C ATOM 428 C CYS B 7 13.192 -7.679 -8.124 1.00 0.00 C ATOM 429 O CYS B 7 13.382 -8.524 -9.007 1.00 0.00 O ATOM 430 CB CYS B 7 15.003 -5.945 -7.627 1.00 0.00 C ATOM 431 SG CYS B 7 14.233 -4.441 -6.972 1.00 0.00 S ATOM 0 H CYS B 7 15.557 -8.740 -8.000 1.00 0.00 H new ATOM 0 HA CYS B 7 13.876 -7.108 -6.203 1.00 0.00 H new ATOM 0 HB2 CYS B 7 16.049 -5.964 -7.321 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.990 -5.899 -8.716 1.00 0.00 H new ATOM 436 N GLY B 8 12.003 -7.098 -7.946 1.00 0.00 N ATOM 437 CA GLY B 8 10.818 -7.424 -8.752 1.00 0.00 C ATOM 438 C GLY B 8 10.397 -8.892 -8.617 1.00 0.00 C ATOM 439 O GLY B 8 10.490 -9.482 -7.539 1.00 0.00 O ATOM 0 H GLY B 8 11.832 -6.385 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY B 8 9.990 -6.783 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY B 8 11.024 -7.204 -9.799 1.00 0.00 H new ATOM 443 N SER B 9 9.960 -9.511 -9.719 1.00 0.00 N ATOM 444 CA SER B 9 9.449 -10.893 -9.716 1.00 0.00 C ATOM 445 C SER B 9 10.516 -11.938 -9.367 1.00 0.00 C ATOM 446 O SER B 9 10.176 -12.986 -8.825 1.00 0.00 O ATOM 447 CB SER B 9 8.831 -11.252 -11.072 1.00 0.00 C ATOM 448 OG SER B 9 7.891 -10.271 -11.493 1.00 0.00 O ATOM 0 H SER B 9 9.949 -9.071 -10.639 1.00 0.00 H new ATOM 0 HA SER B 9 8.690 -10.920 -8.934 1.00 0.00 H new ATOM 0 HB2 SER B 9 9.619 -11.346 -11.819 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.340 -12.222 -11.003 1.00 0.00 H new ATOM 0 HG SER B 9 7.516 -10.528 -12.361 1.00 0.00 H new ATOM 454 N HIS B 10 11.804 -11.665 -9.600 1.00 0.00 N ATOM 455 CA HIS B 10 12.886 -12.607 -9.278 1.00 0.00 C ATOM 456 C HIS B 10 13.076 -12.796 -7.766 1.00 0.00 C ATOM 457 O HIS B 10 13.436 -13.882 -7.312 1.00 0.00 O ATOM 458 CB HIS B 10 14.188 -12.151 -9.941 1.00 0.00 C ATOM 459 CG HIS B 10 14.067 -11.974 -11.430 1.00 0.00 C ATOM 460 ND1 HIS B 10 13.370 -12.789 -12.301 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.592 -10.949 -12.166 1.00 0.00 C ATOM 462 CE1 HIS B 10 13.481 -12.272 -13.534 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.218 -11.146 -13.507 1.00 0.00 N ATOM 0 H HIS B 10 12.127 -10.791 -10.015 1.00 0.00 H new ATOM 0 HA HIS B 10 12.601 -13.581 -9.675 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.504 -11.208 -9.495 1.00 0.00 H new ATOM 0 HB3 HIS B 10 14.970 -12.881 -9.731 1.00 0.00 H new ATOM 0 HD1 HIS B 10 12.860 -13.636 -12.050 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.188 -10.133 -11.785 1.00 0.00 H new ATOM 0 HE1 HIS B 10 13.041 -12.699 -14.423 1.00 0.00 H new ATOM 471 N LEU B 11 12.762 -11.766 -6.974 1.00 0.00 N ATOM 472 CA LEU B 11 12.694 -11.868 -5.518 1.00 0.00 C ATOM 473 C LEU B 11 11.510 -12.747 -5.073 1.00 0.00 C ATOM 474 O LEU B 11 11.659 -13.549 -4.149 1.00 0.00 O ATOM 475 CB LEU B 11 12.630 -10.437 -4.953 1.00 0.00 C ATOM 476 CG LEU B 11 12.558 -10.335 -3.421 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.689 -11.089 -2.723 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.632 -8.871 -3.016 1.00 0.00 C ATOM 0 H LEU B 11 12.547 -10.834 -7.330 1.00 0.00 H new ATOM 0 HA LEU B 11 13.580 -12.365 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.508 -9.890 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.758 -9.937 -5.375 1.00 0.00 H new ATOM 0 HG LEU B 11 11.616 -10.789 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.586 -10.981 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.640 -12.145 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.648 -10.679 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.581 -8.791 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.571 -8.443 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU B 11 11.797 -8.328 -3.459 1.00 0.00 H new ATOM 490 N VAL B 12 10.368 -12.661 -5.768 1.00 0.00 N ATOM 491 CA VAL B 12 9.198 -13.531 -5.535 1.00 0.00 C ATOM 492 C VAL B 12 9.505 -14.984 -5.915 1.00 0.00 C ATOM 493 O VAL B 12 9.185 -15.883 -5.148 1.00 0.00 O ATOM 494 CB VAL B 12 7.934 -13.044 -6.281 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.686 -13.837 -5.866 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.649 -11.563 -5.997 1.00 0.00 C ATOM 0 H VAL B 12 10.225 -11.981 -6.515 1.00 0.00 H new ATOM 0 HA VAL B 12 8.987 -13.478 -4.467 1.00 0.00 H new ATOM 0 HB VAL B 12 8.139 -13.195 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.820 -13.464 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.833 -14.893 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.518 -13.718 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.754 -11.255 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.494 -11.421 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.496 -10.960 -6.324 1.00 0.00 H new ATOM 506 N GLU B 13 10.191 -15.234 -7.035 1.00 0.00 N ATOM 507 CA GLU B 13 10.629 -16.558 -7.461 1.00 0.00 C ATOM 508 C GLU B 13 11.586 -17.210 -6.446 1.00 0.00 C ATOM 509 O GLU B 13 11.404 -18.374 -6.089 1.00 0.00 O ATOM 510 CB GLU B 13 11.325 -16.401 -8.818 1.00 0.00 C ATOM 511 CG GLU B 13 10.367 -16.215 -10.000 1.00 0.00 C ATOM 512 CD GLU B 13 11.145 -16.084 -11.322 1.00 0.00 C ATOM 513 OE1 GLU B 13 11.669 -14.981 -11.624 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.240 -17.087 -12.072 1.00 0.00 O ATOM 0 H GLU B 13 10.462 -14.497 -7.686 1.00 0.00 H new ATOM 0 HA GLU B 13 9.762 -17.215 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.997 -15.544 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.942 -17.281 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.685 -17.063 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.757 -15.325 -9.843 1.00 0.00 H new ATOM 521 N ALA B 14 12.562 -16.464 -5.918 1.00 0.00 N ATOM 522 CA ALA B 14 13.467 -16.970 -4.883 1.00 0.00 C ATOM 523 C ALA B 14 12.747 -17.236 -3.551 1.00 0.00 C ATOM 524 O ALA B 14 12.982 -18.270 -2.925 1.00 0.00 O ATOM 525 CB ALA B 14 14.614 -15.976 -4.710 1.00 0.00 C ATOM 0 H ALA B 14 12.745 -15.499 -6.194 1.00 0.00 H new ATOM 0 HA ALA B 14 13.860 -17.935 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.297 -16.339 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.151 -15.872 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.214 -15.007 -4.411 1.00 0.00 H new ATOM 531 N LEU B 15 11.821 -16.362 -3.140 1.00 0.00 N ATOM 532 CA LEU B 15 10.958 -16.585 -1.976 1.00 0.00 C ATOM 533 C LEU B 15 10.069 -17.829 -2.160 1.00 0.00 C ATOM 534 O LEU B 15 9.940 -18.618 -1.230 1.00 0.00 O ATOM 535 CB LEU B 15 10.149 -15.301 -1.709 1.00 0.00 C ATOM 536 CG LEU B 15 9.210 -15.362 -0.490 1.00 0.00 C ATOM 537 CD1 LEU B 15 9.922 -15.757 0.798 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.561 -13.995 -0.271 1.00 0.00 C ATOM 0 H LEU B 15 11.649 -15.473 -3.610 1.00 0.00 H new ATOM 0 HA LEU B 15 11.568 -16.796 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.845 -14.474 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.555 -15.073 -2.594 1.00 0.00 H new ATOM 0 HG LEU B 15 8.468 -16.129 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.204 -15.781 1.618 1.00 0.00 H new ATOM 0 HD12 LEU B 15 10.370 -16.744 0.678 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.702 -15.029 1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.897 -14.042 0.592 1.00 0.00 H new ATOM 0 HD22 LEU B 15 9.335 -13.249 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.987 -13.719 -1.156 1.00 0.00 H new ATOM 550 N TYR B 16 9.543 -18.073 -3.365 1.00 0.00 N ATOM 551 CA TYR B 16 8.777 -19.278 -3.712 1.00 0.00 C ATOM 552 C TYR B 16 9.623 -20.555 -3.568 1.00 0.00 C ATOM 553 O TYR B 16 9.173 -21.531 -2.962 1.00 0.00 O ATOM 554 CB TYR B 16 8.220 -19.131 -5.142 1.00 0.00 C ATOM 555 CG TYR B 16 6.905 -19.830 -5.435 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.799 -21.235 -5.349 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.788 -19.071 -5.853 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.584 -21.875 -5.658 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.573 -19.713 -6.163 1.00 0.00 C ATOM 560 CZ TYR B 16 4.465 -21.116 -6.068 1.00 0.00 C ATOM 561 OH TYR B 16 3.293 -21.726 -6.389 1.00 0.00 O ATOM 0 H TYR B 16 9.640 -17.424 -4.146 1.00 0.00 H new ATOM 0 HA TYR B 16 7.947 -19.378 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.095 -18.069 -5.351 1.00 0.00 H new ATOM 0 HB3 TYR B 16 8.968 -19.507 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.654 -21.821 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.866 -17.997 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.507 -22.950 -5.581 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.720 -19.128 -6.475 1.00 0.00 H new ATOM 0 HH TYR B 16 3.369 -22.689 -6.224 1.00 0.00 H new ATOM 571 N LEU B 17 10.868 -20.538 -4.061 1.00 0.00 N ATOM 572 CA LEU B 17 11.815 -21.656 -3.955 1.00 0.00 C ATOM 573 C LEU B 17 12.283 -21.905 -2.509 1.00 0.00 C ATOM 574 O LEU B 17 12.416 -23.061 -2.104 1.00 0.00 O ATOM 575 CB LEU B 17 13.017 -21.390 -4.881 1.00 0.00 C ATOM 576 CG LEU B 17 12.698 -21.487 -6.385 1.00 0.00 C ATOM 577 CD1 LEU B 17 13.871 -20.942 -7.202 1.00 0.00 C ATOM 578 CD2 LEU B 17 12.448 -22.930 -6.821 1.00 0.00 C ATOM 0 H LEU B 17 11.253 -19.732 -4.554 1.00 0.00 H new ATOM 0 HA LEU B 17 11.298 -22.564 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.410 -20.396 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.807 -22.102 -4.643 1.00 0.00 H new ATOM 0 HG LEU B 17 11.795 -20.902 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.639 -21.014 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU B 17 14.045 -19.899 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.767 -21.525 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.227 -22.955 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU B 17 13.336 -23.530 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.603 -23.337 -6.266 1.00 0.00 H new ATOM 590 N VAL B 18 12.471 -20.849 -1.711 1.00 0.00 N ATOM 591 CA VAL B 18 12.761 -20.952 -0.267 1.00 0.00 C ATOM 592 C VAL B 18 11.553 -21.486 0.510 1.00 0.00 C ATOM 593 O VAL B 18 11.707 -22.347 1.379 1.00 0.00 O ATOM 594 CB VAL B 18 13.258 -19.594 0.286 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.273 -19.548 1.819 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.688 -19.333 -0.199 1.00 0.00 C ATOM 0 H VAL B 18 12.427 -19.887 -2.047 1.00 0.00 H new ATOM 0 HA VAL B 18 13.564 -21.676 -0.129 1.00 0.00 H new ATOM 0 HB VAL B 18 12.563 -18.838 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.630 -18.573 2.150 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.264 -19.713 2.198 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.935 -20.325 2.200 1.00 0.00 H new ATOM 0 HG21 VAL B 18 15.036 -18.377 0.191 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.343 -20.129 0.155 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.704 -19.307 -1.289 1.00 0.00 H new ATOM 606 N CYS B 19 10.337 -21.050 0.174 1.00 0.00 N ATOM 607 CA CYS B 19 9.110 -21.604 0.740 1.00 0.00 C ATOM 608 C CYS B 19 8.872 -23.065 0.330 1.00 0.00 C ATOM 609 O CYS B 19 8.270 -23.802 1.104 1.00 0.00 O ATOM 610 CB CYS B 19 7.911 -20.738 0.339 1.00 0.00 C ATOM 611 SG CYS B 19 7.761 -19.148 1.190 1.00 0.00 S ATOM 0 H CYS B 19 10.178 -20.301 -0.500 1.00 0.00 H new ATOM 0 HA CYS B 19 9.225 -21.596 1.824 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.966 -20.550 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.000 -21.310 0.516 1.00 0.00 H new ATOM 616 N GLY B 20 9.310 -23.510 -0.850 1.00 0.00 N ATOM 617 CA GLY B 20 9.042 -24.870 -1.344 1.00 0.00 C ATOM 618 C GLY B 20 7.541 -25.161 -1.491 1.00 0.00 C ATOM 619 O GLY B 20 7.087 -26.278 -1.237 1.00 0.00 O ATOM 0 H GLY B 20 9.861 -22.941 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.530 -25.005 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY B 20 9.483 -25.595 -0.660 1.00 0.00 H new ATOM 623 N GLU B 21 6.757 -24.128 -1.824 1.00 0.00 N ATOM 624 CA GLU B 21 5.285 -24.116 -1.853 1.00 0.00 C ATOM 625 C GLU B 21 4.591 -24.399 -0.491 1.00 0.00 C ATOM 626 O GLU B 21 3.443 -24.848 -0.443 1.00 0.00 O ATOM 627 CB GLU B 21 4.770 -24.935 -3.055 1.00 0.00 C ATOM 628 CG GLU B 21 3.413 -24.453 -3.589 1.00 0.00 C ATOM 629 CD GLU B 21 3.078 -25.121 -4.936 1.00 0.00 C ATOM 630 OE1 GLU B 21 2.606 -26.285 -4.951 1.00 0.00 O ATOM 631 OE2 GLU B 21 3.274 -24.476 -5.997 1.00 0.00 O ATOM 0 H GLU B 21 7.152 -23.228 -2.096 1.00 0.00 H new ATOM 0 HA GLU B 21 4.971 -23.086 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.505 -24.888 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.685 -25.981 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.632 -24.679 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.431 -23.370 -3.711 1.00 0.00 H new ATOM 638 N ARG B 22 5.251 -24.077 0.641 1.00 0.00 N ATOM 639 CA ARG B 22 4.627 -24.055 1.990 1.00 0.00 C ATOM 640 C ARG B 22 3.508 -23.003 2.134 1.00 0.00 C ATOM 641 O ARG B 22 2.691 -23.104 3.051 1.00 0.00 O ATOM 642 CB ARG B 22 5.698 -23.822 3.076 1.00 0.00 C ATOM 643 CG ARG B 22 6.490 -25.095 3.422 1.00 0.00 C ATOM 644 CD ARG B 22 7.595 -24.838 4.462 1.00 0.00 C ATOM 645 NE ARG B 22 8.738 -24.094 3.898 1.00 0.00 N ATOM 646 CZ ARG B 22 9.722 -23.517 4.566 1.00 0.00 C ATOM 647 NH1 ARG B 22 9.787 -23.479 5.863 1.00 0.00 N ATOM 648 NH2 ARG B 22 10.714 -22.938 3.968 1.00 0.00 N ATOM 0 H ARG B 22 6.239 -23.823 0.650 1.00 0.00 H new ATOM 0 HA ARG B 22 4.163 -25.032 2.122 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.390 -23.051 2.737 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.217 -23.444 3.978 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.805 -25.852 3.804 1.00 0.00 H new ATOM 0 HG3 ARG B 22 6.937 -25.499 2.514 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.179 -24.278 5.299 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.946 -25.791 4.858 1.00 0.00 H new ATOM 0 HE ARG B 22 8.772 -24.017 2.882 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.052 -23.910 6.423 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.573 -23.018 6.321 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.753 -22.917 2.949 1.00 0.00 H new ATOM 0 HH22 ARG B 22 11.456 -22.503 4.516 1.00 0.00 H new ATOM 662 N GLY B 23 3.457 -22.021 1.228 1.00 0.00 N ATOM 663 CA GLY B 23 2.459 -20.943 1.181 1.00 0.00 C ATOM 664 C GLY B 23 2.923 -19.664 1.884 1.00 0.00 C ATOM 665 O GLY B 23 3.407 -19.702 3.018 1.00 0.00 O ATOM 0 H GLY B 23 4.140 -21.951 0.473 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.228 -20.715 0.140 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.535 -21.290 1.644 1.00 0.00 H new ATOM 669 N PHE B 24 2.789 -18.536 1.184 1.00 0.00 N ATOM 670 CA PHE B 24 3.207 -17.192 1.611 1.00 0.00 C ATOM 671 C PHE B 24 2.353 -16.120 0.907 1.00 0.00 C ATOM 672 O PHE B 24 1.871 -16.345 -0.204 1.00 0.00 O ATOM 673 CB PHE B 24 4.706 -16.990 1.327 1.00 0.00 C ATOM 674 CG PHE B 24 5.126 -16.986 -0.139 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.156 -18.182 -0.886 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.538 -15.783 -0.745 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.562 -18.168 -2.234 1.00 0.00 C ATOM 678 CE2 PHE B 24 5.966 -15.776 -2.086 1.00 0.00 C ATOM 679 CZ PHE B 24 5.974 -16.966 -2.832 1.00 0.00 C ATOM 0 H PHE B 24 2.365 -18.531 0.256 1.00 0.00 H new ATOM 0 HA PHE B 24 3.051 -17.092 2.685 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.013 -16.044 1.773 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.259 -17.778 1.838 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.866 -19.113 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.525 -14.863 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.557 -19.082 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.289 -14.852 -2.543 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.296 -16.957 -3.863 1.00 0.00 H new ATOM 689 N PHE B 25 2.145 -14.949 1.513 1.00 0.00 N ATOM 690 CA PHE B 25 1.160 -13.978 0.996 1.00 0.00 C ATOM 691 C PHE B 25 1.522 -13.384 -0.382 1.00 0.00 C ATOM 692 O PHE B 25 0.632 -13.080 -1.178 1.00 0.00 O ATOM 693 CB PHE B 25 0.911 -12.889 2.048 1.00 0.00 C ATOM 694 CG PHE B 25 -0.179 -11.886 1.698 1.00 0.00 C ATOM 695 CD1 PHE B 25 -1.429 -12.321 1.209 1.00 0.00 C ATOM 696 CD2 PHE B 25 0.056 -10.509 1.876 1.00 0.00 C ATOM 697 CE1 PHE B 25 -2.431 -11.386 0.896 1.00 0.00 C ATOM 698 CE2 PHE B 25 -0.950 -9.573 1.567 1.00 0.00 C ATOM 699 CZ PHE B 25 -2.194 -10.012 1.079 1.00 0.00 C ATOM 0 H PHE B 25 2.636 -14.646 2.354 1.00 0.00 H new ATOM 0 HA PHE B 25 0.234 -14.525 0.817 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.651 -13.370 2.991 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.842 -12.347 2.213 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -1.617 -13.376 1.075 1.00 0.00 H new ATOM 0 HD2 PHE B 25 1.010 -10.170 2.251 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -3.384 -11.723 0.515 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.766 -8.518 1.705 1.00 0.00 H new ATOM 0 HZ PHE B 25 -2.967 -9.294 0.845 1.00 0.00 H new ATOM 709 N TYR B 26 2.814 -13.293 -0.715 1.00 0.00 N ATOM 710 CA TYR B 26 3.298 -12.880 -2.042 1.00 0.00 C ATOM 711 C TYR B 26 3.123 -13.927 -3.169 1.00 0.00 C ATOM 712 O TYR B 26 3.497 -13.647 -4.308 1.00 0.00 O ATOM 713 CB TYR B 26 4.745 -12.364 -1.929 1.00 0.00 C ATOM 714 CG TYR B 26 4.833 -10.864 -2.090 1.00 0.00 C ATOM 715 CD1 TYR B 26 4.583 -10.027 -0.988 1.00 0.00 C ATOM 716 CD2 TYR B 26 5.098 -10.313 -3.359 1.00 0.00 C ATOM 717 CE1 TYR B 26 4.607 -8.630 -1.151 1.00 0.00 C ATOM 718 CE2 TYR B 26 5.142 -8.912 -3.518 1.00 0.00 C ATOM 719 CZ TYR B 26 4.898 -8.066 -2.411 1.00 0.00 C ATOM 720 OH TYR B 26 4.926 -6.713 -2.572 1.00 0.00 O ATOM 0 H TYR B 26 3.567 -13.507 -0.061 1.00 0.00 H new ATOM 0 HA TYR B 26 2.648 -12.067 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.155 -12.648 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.361 -12.846 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR B 26 4.373 -10.456 -0.019 1.00 0.00 H new ATOM 0 HD2 TYR B 26 5.267 -10.960 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.402 -7.987 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR B 26 5.362 -8.485 -4.485 1.00 0.00 H new ATOM 0 HH TYR B 26 5.144 -6.499 -3.503 1.00 0.00 H new ATOM 730 N THR B 27 2.538 -15.101 -2.889 1.00 0.00 N ATOM 731 CA THR B 27 2.208 -16.130 -3.899 1.00 0.00 C ATOM 732 C THR B 27 1.382 -15.530 -5.061 1.00 0.00 C ATOM 733 O THR B 27 0.283 -15.020 -4.813 1.00 0.00 O ATOM 734 CB THR B 27 1.408 -17.290 -3.270 1.00 0.00 C ATOM 735 OG1 THR B 27 2.183 -17.949 -2.302 1.00 0.00 O ATOM 736 CG2 THR B 27 1.019 -18.380 -4.269 1.00 0.00 C ATOM 0 H THR B 27 2.275 -15.371 -1.941 1.00 0.00 H new ATOM 0 HA THR B 27 3.154 -16.509 -4.286 1.00 0.00 H new ATOM 0 HB THR B 27 0.514 -16.818 -2.863 1.00 0.00 H new ATOM 0 HG1 THR B 27 2.076 -17.501 -1.437 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.459 -19.162 -3.755 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.400 -17.948 -5.056 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.920 -18.808 -4.709 1.00 0.00 H new ATOM 744 N PRO B 28 1.850 -15.598 -6.329 1.00 0.00 N ATOM 745 CA PRO B 28 1.122 -15.031 -7.477 1.00 0.00 C ATOM 746 C PRO B 28 -0.205 -15.729 -7.832 1.00 0.00 C ATOM 747 O PRO B 28 -1.062 -15.125 -8.482 1.00 0.00 O ATOM 748 CB PRO B 28 2.104 -15.091 -8.653 1.00 0.00 C ATOM 749 CG PRO B 28 3.471 -15.057 -7.979 1.00 0.00 C ATOM 750 CD PRO B 28 3.230 -15.875 -6.715 1.00 0.00 C ATOM 0 HA PRO B 28 0.806 -14.019 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO B 28 1.970 -15.998 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.970 -14.248 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO B 28 4.245 -15.498 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO B 28 3.787 -14.039 -7.751 1.00 0.00 H new ATOM 0 HD2 PRO B 28 3.380 -16.939 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO B 28 3.924 -15.589 -5.924 1.00 0.00 H new ATOM 758 N LYS B 29 -0.386 -16.994 -7.419 1.00 0.00 N ATOM 759 CA LYS B 29 -1.595 -17.799 -7.622 1.00 0.00 C ATOM 760 C LYS B 29 -2.633 -17.499 -6.537 1.00 0.00 C ATOM 761 O LYS B 29 -2.293 -17.301 -5.370 1.00 0.00 O ATOM 762 CB LYS B 29 -1.256 -19.304 -7.640 1.00 0.00 C ATOM 763 CG LYS B 29 -0.490 -19.822 -8.871 1.00 0.00 C ATOM 764 CD LYS B 29 0.997 -19.422 -8.919 1.00 0.00 C ATOM 765 CE LYS B 29 1.789 -20.223 -9.960 1.00 0.00 C ATOM 766 NZ LYS B 29 1.364 -19.922 -11.356 1.00 0.00 N ATOM 0 H LYS B 29 0.339 -17.503 -6.913 1.00 0.00 H new ATOM 0 HA LYS B 29 -2.019 -17.532 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -0.667 -19.531 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -2.187 -19.864 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -0.561 -20.909 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -0.981 -19.451 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS B 29 1.076 -18.359 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS B 29 1.442 -19.572 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS B 29 2.851 -20.003 -9.852 1.00 0.00 H new ATOM 0 HE3 LYS B 29 1.663 -21.288 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 1.929 -20.488 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 0.357 -20.156 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 1.509 -18.911 -11.553 1.00 0.00 H new ATOM 780 N THR B 30 -3.905 -17.539 -6.923 1.00 0.00 N ATOM 781 CA THR B 30 -5.079 -17.401 -6.036 1.00 0.00 C ATOM 782 C THR B 30 -6.183 -18.411 -6.399 1.00 0.00 C ATOM 783 O THR B 30 -6.257 -18.884 -7.537 1.00 0.00 O ATOM 784 CB THR B 30 -5.660 -15.971 -6.042 1.00 0.00 C ATOM 785 OG1 THR B 30 -6.090 -15.584 -7.327 1.00 0.00 O ATOM 786 CG2 THR B 30 -4.675 -14.913 -5.547 1.00 0.00 C ATOM 0 H THR B 30 -4.167 -17.673 -7.899 1.00 0.00 H new ATOM 0 HA THR B 30 -4.720 -17.613 -5.029 1.00 0.00 H new ATOM 0 HB THR B 30 -6.504 -16.019 -5.354 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.453 -14.674 -7.290 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.149 -13.932 -5.578 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.380 -15.141 -4.523 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.793 -14.910 -6.187 1.00 0.00 H new ATOM 794 N LYS B 31 -7.053 -18.745 -5.433 1.00 0.00 N ATOM 795 CA LYS B 31 -8.141 -19.739 -5.561 1.00 0.00 C ATOM 796 C LYS B 31 -9.521 -19.083 -5.790 1.00 0.00 C ATOM 797 O LYS B 31 -10.513 -19.465 -5.158 1.00 0.00 O ATOM 798 CB LYS B 31 -8.097 -20.697 -4.351 1.00 0.00 C ATOM 799 CG LYS B 31 -8.819 -22.031 -4.630 1.00 0.00 C ATOM 800 CD LYS B 31 -9.314 -22.744 -3.360 1.00 0.00 C ATOM 801 CE LYS B 31 -10.331 -21.947 -2.523 1.00 0.00 C ATOM 802 NZ LYS B 31 -11.504 -21.485 -3.311 1.00 0.00 N ATOM 0 H LYS B 31 -7.021 -18.318 -4.507 1.00 0.00 H new ATOM 0 HA LYS B 31 -7.980 -20.332 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.059 -20.897 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.556 -20.212 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -9.669 -21.843 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.142 -22.695 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -9.766 -23.693 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.453 -22.977 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -10.678 -22.568 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.833 -21.082 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -12.213 -21.075 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -11.200 -20.765 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -11.921 -22.292 -3.818 1.00 0.00 H new ATOM 816 N ARG B 32 -9.573 -18.064 -6.655 1.00 0.00 N ATOM 817 CA ARG B 32 -10.770 -17.266 -6.992 1.00 0.00 C ATOM 818 C ARG B 32 -10.835 -16.895 -8.479 1.00 0.00 C ATOM 819 O ARG B 32 -11.956 -16.870 -9.033 1.00 0.00 O ATOM 820 CB ARG B 32 -10.894 -16.051 -6.040 1.00 0.00 C ATOM 821 CG ARG B 32 -9.665 -15.125 -5.872 1.00 0.00 C ATOM 822 CD ARG B 32 -9.719 -13.817 -6.674 1.00 0.00 C ATOM 823 NE ARG B 32 -9.595 -14.049 -8.118 1.00 0.00 N ATOM 824 CZ ARG B 32 -9.684 -13.177 -9.099 1.00 0.00 C ATOM 825 NH1 ARG B 32 -9.843 -11.899 -8.894 1.00 0.00 N ATOM 826 NH2 ARG B 32 -9.617 -13.606 -10.326 1.00 0.00 N ATOM 827 OXT ARG B 32 -9.769 -16.637 -9.080 1.00 0.00 O ATOM 0 H ARG B 32 -8.746 -17.754 -7.166 1.00 0.00 H new ATOM 0 HA ARG B 32 -11.650 -17.888 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -11.727 -15.439 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -11.165 -16.427 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -9.556 -14.881 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -8.772 -15.676 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -10.659 -13.305 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -8.918 -13.156 -6.343 1.00 0.00 H new ATOM 0 HE ARG B 32 -9.416 -15.013 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -9.903 -11.539 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -9.907 -11.260 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -9.498 -14.602 -10.512 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -9.684 -12.946 -11.101 1.00 0.00 H new TER 841 ARG B 32