USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 21 ASN : amide:sc= 1.2 K(o=1.9,f=-4.8!) USER MOD Set 1.2: A 22 SER OG : rot 72:sc= 0.714 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.667 K(o=2.7,f=1.9) USER MOD Set 2.2: A 8 THR OG1 : rot -94:sc= 1.26 USER MOD Set 2.3: A 9 SER OG : rot -160:sc= 0 USER MOD Set 2.4: A 15 GLN : amide:sc= 0.815 K(o=2.7,f=1.9) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0397 (180deg=0) USER MOD Single : A 12 SER OG : rot 40:sc= 0.772 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.925 K(o=0.93,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0027 USER MOD Single : B 1 PHE N :NH3+ -120:sc= 0.0239 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.41) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : B 29 LYS NZ :NH3+ -162:sc= 1.33 (180deg=1.18) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.252 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.204 5.864 -4.005 1.00 0.00 N ATOM 2 CA GLY A 1 -6.131 4.870 -5.102 1.00 0.00 C ATOM 3 C GLY A 1 -4.726 4.301 -5.243 1.00 0.00 C ATOM 4 O GLY A 1 -3.744 4.988 -4.967 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.706 6.712 -4.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.716 5.453 -3.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.242 6.125 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.835 4.061 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.432 5.338 -6.040 1.00 0.00 H new ATOM 10 N ILE A 2 -4.605 3.049 -5.700 1.00 0.00 N ATOM 11 CA ILE A 2 -3.317 2.336 -5.845 1.00 0.00 C ATOM 12 C ILE A 2 -2.511 2.864 -7.034 1.00 0.00 C ATOM 13 O ILE A 2 -1.298 3.003 -6.938 1.00 0.00 O ATOM 14 CB ILE A 2 -3.560 0.808 -5.910 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.278 0.045 -6.295 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.688 0.496 -6.898 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.313 -1.475 -6.109 1.00 0.00 C ATOM 0 H ILE A 2 -5.408 2.489 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.705 2.531 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.854 0.472 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.054 0.257 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.452 0.443 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.851 -0.581 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.604 0.990 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.414 0.857 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.357 -1.901 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.498 -1.709 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.109 -1.898 -6.721 1.00 0.00 H new ATOM 29 N VAL A 3 -3.188 3.238 -8.124 1.00 0.00 N ATOM 30 CA VAL A 3 -2.669 3.990 -9.272 1.00 0.00 C ATOM 31 C VAL A 3 -1.759 5.136 -8.865 1.00 0.00 C ATOM 32 O VAL A 3 -0.699 5.304 -9.457 1.00 0.00 O ATOM 33 CB VAL A 3 -3.845 4.579 -10.071 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.382 5.124 -11.430 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.986 3.590 -10.341 1.00 0.00 C ATOM 0 H VAL A 3 -4.176 3.009 -8.236 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.086 3.288 -9.869 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.226 5.374 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.237 5.533 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.642 5.909 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.938 4.317 -12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.772 4.088 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.606 2.743 -10.913 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.392 3.235 -9.394 1.00 0.00 H new ATOM 45 N GLU A 4 -2.122 5.889 -7.827 1.00 0.00 N ATOM 46 CA GLU A 4 -1.311 7.030 -7.393 1.00 0.00 C ATOM 47 C GLU A 4 0.070 6.591 -6.859 1.00 0.00 C ATOM 48 O GLU A 4 1.054 7.318 -6.989 1.00 0.00 O ATOM 49 CB GLU A 4 -2.094 7.845 -6.352 1.00 0.00 C ATOM 50 CG GLU A 4 -1.343 9.106 -5.913 1.00 0.00 C ATOM 51 CD GLU A 4 -2.227 10.011 -5.034 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.763 11.026 -5.546 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.382 9.726 -3.819 1.00 0.00 O ATOM 0 H GLU A 4 -2.965 5.733 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.110 7.663 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.061 8.128 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.292 7.221 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.447 8.823 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.014 9.660 -6.792 1.00 0.00 H new ATOM 60 N GLN A 5 0.154 5.370 -6.325 1.00 0.00 N ATOM 61 CA GLN A 5 1.382 4.696 -5.892 1.00 0.00 C ATOM 62 C GLN A 5 2.106 3.978 -7.049 1.00 0.00 C ATOM 63 O GLN A 5 3.314 4.117 -7.215 1.00 0.00 O ATOM 64 CB GLN A 5 1.025 3.719 -4.747 1.00 0.00 C ATOM 65 CG GLN A 5 1.886 3.885 -3.489 1.00 0.00 C ATOM 66 CD GLN A 5 3.382 3.723 -3.746 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.882 2.632 -3.979 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.141 4.797 -3.715 1.00 0.00 N ATOM 0 H GLN A 5 -0.675 4.795 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 5 2.087 5.446 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.022 3.859 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.127 2.697 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.704 4.871 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.572 3.153 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.727 5.709 -3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.144 4.718 -3.885 1.00 0.00 H new ATOM 77 N CYS A 6 1.378 3.229 -7.883 1.00 0.00 N ATOM 78 CA CYS A 6 1.951 2.372 -8.931 1.00 0.00 C ATOM 79 C CYS A 6 2.398 3.125 -10.185 1.00 0.00 C ATOM 80 O CYS A 6 3.392 2.744 -10.799 1.00 0.00 O ATOM 81 CB CYS A 6 0.969 1.256 -9.292 1.00 0.00 C ATOM 82 SG CYS A 6 0.623 0.112 -7.933 1.00 0.00 S ATOM 0 H CYS A 6 0.359 3.199 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 6 2.861 1.946 -8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.032 1.704 -9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.369 0.692 -10.135 1.00 0.00 H new ATOM 87 N CYS A 7 1.699 4.192 -10.561 1.00 0.00 N ATOM 88 CA CYS A 7 2.034 4.983 -11.743 1.00 0.00 C ATOM 89 C CYS A 7 3.216 5.931 -11.449 1.00 0.00 C ATOM 90 O CYS A 7 4.027 6.201 -12.338 1.00 0.00 O ATOM 91 CB CYS A 7 0.757 5.730 -12.172 1.00 0.00 C ATOM 92 SG CYS A 7 0.896 6.863 -13.577 1.00 0.00 S ATOM 0 H CYS A 7 0.883 4.534 -10.054 1.00 0.00 H new ATOM 0 HA CYS A 7 2.367 4.348 -12.564 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.005 4.988 -12.410 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.393 6.297 -11.315 1.00 0.00 H new ATOM 97 N THR A 8 3.355 6.403 -10.198 1.00 0.00 N ATOM 98 CA THR A 8 4.459 7.292 -9.765 1.00 0.00 C ATOM 99 C THR A 8 5.701 6.546 -9.274 1.00 0.00 C ATOM 100 O THR A 8 6.821 6.966 -9.575 1.00 0.00 O ATOM 101 CB THR A 8 4.024 8.267 -8.658 1.00 0.00 C ATOM 102 OG1 THR A 8 3.710 7.582 -7.469 1.00 0.00 O ATOM 103 CG2 THR A 8 2.819 9.106 -9.077 1.00 0.00 C ATOM 0 H THR A 8 2.701 6.179 -9.448 1.00 0.00 H new ATOM 0 HA THR A 8 4.720 7.840 -10.670 1.00 0.00 H new ATOM 0 HB THR A 8 4.871 8.930 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.747 7.404 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.546 9.781 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.071 9.688 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.979 8.449 -9.302 1.00 0.00 H new ATOM 111 N SER A 9 5.510 5.442 -8.540 1.00 0.00 N ATOM 112 CA SER A 9 6.582 4.653 -7.911 1.00 0.00 C ATOM 113 C SER A 9 6.657 3.254 -8.552 1.00 0.00 C ATOM 114 O SER A 9 6.663 3.151 -9.778 1.00 0.00 O ATOM 115 CB SER A 9 6.424 4.624 -6.381 1.00 0.00 C ATOM 116 OG SER A 9 6.265 5.925 -5.839 1.00 0.00 O ATOM 0 H SER A 9 4.581 5.061 -8.361 1.00 0.00 H new ATOM 0 HA SER A 9 7.543 5.133 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.561 4.013 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.298 4.150 -5.935 1.00 0.00 H new ATOM 0 HG SER A 9 6.483 5.910 -4.884 1.00 0.00 H new ATOM 122 N ILE A 10 6.744 2.176 -7.765 1.00 0.00 N ATOM 123 CA ILE A 10 6.917 0.799 -8.250 1.00 0.00 C ATOM 124 C ILE A 10 5.981 -0.182 -7.526 1.00 0.00 C ATOM 125 O ILE A 10 5.788 -0.102 -6.310 1.00 0.00 O ATOM 126 CB ILE A 10 8.398 0.347 -8.168 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.006 0.591 -6.764 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.221 1.048 -9.266 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.432 0.059 -6.591 1.00 0.00 C ATOM 0 H ILE A 10 6.695 2.237 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 10 6.635 0.790 -9.303 1.00 0.00 H new ATOM 0 HB ILE A 10 8.432 -0.729 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.004 1.662 -6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.364 0.124 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.260 0.726 -9.203 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.819 0.787 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.167 2.128 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.780 0.272 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.441 -1.018 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.091 0.544 -7.311 1.00 0.00 H new ATOM 141 N CYS A 11 5.415 -1.126 -8.279 1.00 0.00 N ATOM 142 CA CYS A 11 4.473 -2.128 -7.774 1.00 0.00 C ATOM 143 C CYS A 11 4.750 -3.556 -8.281 1.00 0.00 C ATOM 144 O CYS A 11 5.438 -3.761 -9.281 1.00 0.00 O ATOM 145 CB CYS A 11 3.049 -1.679 -8.117 1.00 0.00 C ATOM 146 SG CYS A 11 2.443 -0.293 -7.135 1.00 0.00 S ATOM 0 H CYS A 11 5.602 -1.218 -9.278 1.00 0.00 H new ATOM 0 HA CYS A 11 4.601 -2.188 -6.693 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.013 -1.404 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.374 -2.524 -7.985 1.00 0.00 H new ATOM 151 N SER A 12 4.202 -4.522 -7.544 1.00 0.00 N ATOM 152 CA SER A 12 4.313 -5.983 -7.696 1.00 0.00 C ATOM 153 C SER A 12 3.040 -6.633 -7.122 1.00 0.00 C ATOM 154 O SER A 12 2.147 -5.912 -6.665 1.00 0.00 O ATOM 155 CB SER A 12 5.579 -6.434 -6.953 1.00 0.00 C ATOM 156 OG SER A 12 5.785 -7.829 -7.075 1.00 0.00 O ATOM 0 H SER A 12 3.611 -4.284 -6.747 1.00 0.00 H new ATOM 0 HA SER A 12 4.397 -6.283 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.444 -5.902 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.497 -6.168 -5.899 1.00 0.00 H new ATOM 0 HG SER A 12 5.572 -8.112 -7.989 1.00 0.00 H new ATOM 162 N LEU A 13 2.925 -7.966 -7.075 1.00 0.00 N ATOM 163 CA LEU A 13 1.774 -8.657 -6.474 1.00 0.00 C ATOM 164 C LEU A 13 1.487 -8.157 -5.047 1.00 0.00 C ATOM 165 O LEU A 13 0.336 -8.009 -4.647 1.00 0.00 O ATOM 166 CB LEU A 13 1.975 -10.189 -6.424 1.00 0.00 C ATOM 167 CG LEU A 13 2.741 -10.872 -7.577 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.177 -11.185 -7.154 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.079 -12.195 -7.962 1.00 0.00 C ATOM 0 H LEU A 13 3.629 -8.599 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 13 0.925 -8.427 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.496 -10.424 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.989 -10.650 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 13 2.730 -10.184 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.703 -11.666 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.688 -10.260 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.165 -11.853 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.637 -12.657 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.073 -12.863 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.054 -12.009 -8.284 1.00 0.00 H new ATOM 181 N TYR A 14 2.551 -7.806 -4.319 1.00 0.00 N ATOM 182 CA TYR A 14 2.518 -7.217 -2.977 1.00 0.00 C ATOM 183 C TYR A 14 1.676 -5.929 -2.864 1.00 0.00 C ATOM 184 O TYR A 14 1.200 -5.599 -1.777 1.00 0.00 O ATOM 185 CB TYR A 14 3.973 -6.962 -2.545 1.00 0.00 C ATOM 186 CG TYR A 14 4.295 -7.505 -1.171 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.213 -6.679 -0.034 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.665 -8.859 -1.041 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.518 -7.204 1.236 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.965 -9.391 0.229 1.00 0.00 C ATOM 191 CZ TYR A 14 4.895 -8.560 1.372 1.00 0.00 C ATOM 192 OH TYR A 14 5.193 -9.052 2.606 1.00 0.00 O ATOM 0 H TYR A 14 3.502 -7.930 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 14 2.019 -7.924 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.645 -7.415 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.165 -5.889 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.917 -5.645 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.719 -9.490 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.464 -6.570 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.247 -10.429 0.329 1.00 0.00 H new ATOM 0 HH TYR A 14 5.432 -9.999 2.531 1.00 0.00 H new ATOM 202 N GLN A 15 1.462 -5.218 -3.980 1.00 0.00 N ATOM 203 CA GLN A 15 0.575 -4.054 -4.078 1.00 0.00 C ATOM 204 C GLN A 15 -0.723 -4.418 -4.823 1.00 0.00 C ATOM 205 O GLN A 15 -1.816 -4.162 -4.321 1.00 0.00 O ATOM 206 CB GLN A 15 1.326 -2.888 -4.750 1.00 0.00 C ATOM 207 CG GLN A 15 2.608 -2.488 -3.989 1.00 0.00 C ATOM 208 CD GLN A 15 2.646 -1.004 -3.617 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.794 -0.495 -2.902 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.629 -0.252 -4.062 1.00 0.00 N ATOM 0 H GLN A 15 1.916 -5.445 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 15 0.283 -3.734 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.587 -3.169 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.664 -2.025 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.686 -3.086 -3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.477 -2.725 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.350 -0.656 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.670 0.735 -3.810 1.00 0.00 H new ATOM 219 N LEU A 16 -0.618 -5.067 -5.988 1.00 0.00 N ATOM 220 CA LEU A 16 -1.728 -5.327 -6.921 1.00 0.00 C ATOM 221 C LEU A 16 -2.748 -6.353 -6.421 1.00 0.00 C ATOM 222 O LEU A 16 -3.908 -6.287 -6.818 1.00 0.00 O ATOM 223 CB LEU A 16 -1.144 -5.852 -8.234 1.00 0.00 C ATOM 224 CG LEU A 16 -0.565 -4.856 -9.230 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.677 -4.069 -9.889 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.380 -3.829 -8.639 1.00 0.00 C ATOM 0 H LEU A 16 0.271 -5.440 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.258 -4.381 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.357 -6.564 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.929 -6.411 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.003 -5.478 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.250 -3.360 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.344 -4.752 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.239 -3.527 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.738 -3.167 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.145 -3.244 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.228 -4.337 -8.179 1.00 0.00 H new ATOM 238 N GLU A 17 -2.365 -7.304 -5.566 1.00 0.00 N ATOM 239 CA GLU A 17 -3.276 -8.378 -5.132 1.00 0.00 C ATOM 240 C GLU A 17 -4.353 -7.859 -4.160 1.00 0.00 C ATOM 241 O GLU A 17 -5.292 -8.567 -3.796 1.00 0.00 O ATOM 242 CB GLU A 17 -2.470 -9.577 -4.606 1.00 0.00 C ATOM 243 CG GLU A 17 -3.182 -10.913 -4.852 1.00 0.00 C ATOM 244 CD GLU A 17 -2.403 -12.072 -4.198 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.481 -12.636 -4.832 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.714 -12.433 -3.034 1.00 0.00 O ATOM 0 H GLU A 17 -1.432 -7.357 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.838 -8.740 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.493 -9.595 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.295 -9.453 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.193 -10.873 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.275 -11.090 -5.924 1.00 0.00 H new ATOM 253 N ASN A 18 -4.253 -6.574 -3.804 1.00 0.00 N ATOM 254 CA ASN A 18 -5.280 -5.813 -3.099 1.00 0.00 C ATOM 255 C ASN A 18 -6.439 -5.388 -4.015 1.00 0.00 C ATOM 256 O ASN A 18 -7.504 -5.027 -3.508 1.00 0.00 O ATOM 257 CB ASN A 18 -4.640 -4.563 -2.470 1.00 0.00 C ATOM 258 CG ASN A 18 -3.683 -4.898 -1.340 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.079 -5.239 -0.231 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.395 -4.829 -1.587 1.00 0.00 N ATOM 0 H ASN A 18 -3.422 -6.018 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.699 -6.463 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.105 -4.007 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.426 -3.909 -2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.722 -5.059 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.067 -4.545 -2.510 1.00 0.00 H new ATOM 267 N TYR A 19 -6.267 -5.409 -5.346 1.00 0.00 N ATOM 268 CA TYR A 19 -7.350 -5.015 -6.254 1.00 0.00 C ATOM 269 C TYR A 19 -8.342 -6.145 -6.516 1.00 0.00 C ATOM 270 O TYR A 19 -9.507 -5.889 -6.838 1.00 0.00 O ATOM 271 CB TYR A 19 -6.768 -4.666 -7.607 1.00 0.00 C ATOM 272 CG TYR A 19 -6.246 -3.281 -7.842 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.152 -2.220 -7.993 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.936 -3.169 -8.300 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.777 -1.092 -8.746 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.590 -2.111 -9.144 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.522 -1.079 -9.400 1.00 0.00 C ATOM 278 OH TYR A 19 -5.206 -0.059 -10.241 1.00 0.00 O ATOM 0 H TYR A 19 -5.403 -5.690 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.858 -4.179 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.952 -5.362 -7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.537 -4.858 -8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.129 -2.269 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.193 -3.895 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.441 -0.244 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.612 -2.081 -9.600 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.661 0.759 -9.949 1.00 0.00 H new ATOM 288 N CYS A 20 -7.860 -7.389 -6.481 1.00 0.00 N ATOM 289 CA CYS A 20 -8.647 -8.543 -6.878 1.00 0.00 C ATOM 290 C CYS A 20 -9.957 -8.640 -6.083 1.00 0.00 C ATOM 291 O CYS A 20 -9.966 -8.439 -4.864 1.00 0.00 O ATOM 292 CB CYS A 20 -7.883 -9.859 -6.687 1.00 0.00 C ATOM 293 SG CYS A 20 -6.140 -9.945 -7.146 1.00 0.00 S ATOM 0 H CYS A 20 -6.914 -7.618 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.863 -8.397 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.958 -10.131 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.409 -10.628 -7.253 1.00 0.00 H new ATOM 298 N ASN A 21 -11.042 -9.013 -6.757 1.00 0.00 N ATOM 299 CA ASN A 21 -12.329 -9.278 -6.121 1.00 0.00 C ATOM 300 C ASN A 21 -12.619 -10.789 -5.925 1.00 0.00 C ATOM 301 O ASN A 21 -13.626 -11.152 -5.313 1.00 0.00 O ATOM 302 CB ASN A 21 -13.430 -8.516 -6.892 1.00 0.00 C ATOM 303 CG ASN A 21 -13.783 -9.069 -8.267 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.495 -10.199 -8.626 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.420 -8.283 -9.099 1.00 0.00 N ATOM 0 H ASN A 21 -11.052 -9.141 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.306 -8.899 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.334 -8.507 -6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.114 -7.479 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.667 -8.619 -10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.669 -7.335 -8.816 1.00 0.00 H new ATOM 312 N SER A 22 -11.735 -11.658 -6.447 1.00 0.00 N ATOM 313 CA SER A 22 -11.841 -13.128 -6.486 1.00 0.00 C ATOM 314 C SER A 22 -10.504 -13.803 -6.170 1.00 0.00 C ATOM 315 O SER A 22 -10.501 -14.784 -5.394 1.00 0.00 O ATOM 316 CB SER A 22 -12.311 -13.580 -7.872 1.00 0.00 C ATOM 317 OG SER A 22 -13.603 -13.073 -8.146 1.00 0.00 O ATOM 318 OXT SER A 22 -9.462 -13.368 -6.717 1.00 0.00 O ATOM 0 H SER A 22 -10.872 -11.331 -6.881 1.00 0.00 H new ATOM 0 HA SER A 22 -12.564 -13.423 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.610 -13.234 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.323 -14.669 -7.921 1.00 0.00 H new ATOM 0 HG SER A 22 -13.549 -12.107 -8.303 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.209 -11.964 -9.962 1.00 0.00 N ATOM 326 CA PHE B 1 8.256 -10.905 -10.389 1.00 0.00 C ATOM 327 C PHE B 1 8.955 -9.547 -10.412 1.00 0.00 C ATOM 328 O PHE B 1 9.826 -9.284 -9.580 1.00 0.00 O ATOM 329 CB PHE B 1 7.002 -10.876 -9.493 1.00 0.00 C ATOM 330 CG PHE B 1 5.759 -10.275 -10.137 1.00 0.00 C ATOM 331 CD1 PHE B 1 5.536 -8.884 -10.125 1.00 0.00 C ATOM 332 CD2 PHE B 1 4.784 -11.122 -10.703 1.00 0.00 C ATOM 333 CE1 PHE B 1 4.369 -8.346 -10.692 1.00 0.00 C ATOM 334 CE2 PHE B 1 3.601 -10.586 -11.242 1.00 0.00 C ATOM 335 CZ PHE B 1 3.394 -9.195 -11.241 1.00 0.00 C ATOM 0 H1 PHE B 1 9.299 -12.675 -10.716 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.139 -11.539 -9.775 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.856 -12.420 -9.096 1.00 0.00 H new ATOM 0 HA PHE B 1 7.919 -11.137 -11.399 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.774 -11.895 -9.182 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.233 -10.311 -8.590 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.267 -8.227 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.947 -12.189 -10.723 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.221 -7.276 -10.706 1.00 0.00 H new ATOM 0 HE2 PHE B 1 2.851 -11.243 -11.657 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.489 -8.781 -11.661 1.00 0.00 H new ATOM 347 N VAL B 2 8.605 -8.683 -11.368 1.00 0.00 N ATOM 348 CA VAL B 2 9.261 -7.384 -11.587 1.00 0.00 C ATOM 349 C VAL B 2 8.551 -6.246 -10.842 1.00 0.00 C ATOM 350 O VAL B 2 7.342 -6.059 -10.986 1.00 0.00 O ATOM 351 CB VAL B 2 9.442 -7.114 -13.099 1.00 0.00 C ATOM 352 CG1 VAL B 2 8.136 -6.939 -13.885 1.00 0.00 C ATOM 353 CG2 VAL B 2 10.338 -5.899 -13.343 1.00 0.00 C ATOM 0 H VAL B 2 7.846 -8.866 -12.024 1.00 0.00 H new ATOM 0 HA VAL B 2 10.260 -7.426 -11.154 1.00 0.00 H new ATOM 0 HB VAL B 2 9.914 -8.021 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.365 -6.754 -14.935 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.535 -7.844 -13.799 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.579 -6.094 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.446 -5.736 -14.415 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.889 -5.018 -12.885 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.319 -6.076 -12.903 1.00 0.00 H new ATOM 363 N LYS B 3 9.302 -5.458 -10.059 1.00 0.00 N ATOM 364 CA LYS B 3 8.824 -4.198 -9.464 1.00 0.00 C ATOM 365 C LYS B 3 8.903 -3.096 -10.519 1.00 0.00 C ATOM 366 O LYS B 3 9.992 -2.814 -11.020 1.00 0.00 O ATOM 367 CB LYS B 3 9.631 -3.839 -8.208 1.00 0.00 C ATOM 368 CG LYS B 3 9.534 -4.915 -7.113 1.00 0.00 C ATOM 369 CD LYS B 3 10.300 -4.533 -5.840 1.00 0.00 C ATOM 370 CE LYS B 3 11.816 -4.450 -6.062 1.00 0.00 C ATOM 371 NZ LYS B 3 12.540 -4.162 -4.795 1.00 0.00 N ATOM 0 H LYS B 3 10.268 -5.678 -9.818 1.00 0.00 H new ATOM 0 HA LYS B 3 7.788 -4.313 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.677 -3.697 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.274 -2.889 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.486 -5.082 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.925 -5.857 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS B 3 9.937 -3.571 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS B 3 10.091 -5.267 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.175 -5.390 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS B 3 12.035 -3.671 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.562 -4.113 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.215 -3.253 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 12.350 -4.919 -4.107 1.00 0.00 H new ATOM 385 N GLN B 4 7.770 -2.492 -10.878 1.00 0.00 N ATOM 386 CA GLN B 4 7.689 -1.606 -12.049 1.00 0.00 C ATOM 387 C GLN B 4 6.675 -0.464 -11.899 1.00 0.00 C ATOM 388 O GLN B 4 5.675 -0.591 -11.188 1.00 0.00 O ATOM 389 CB GLN B 4 7.375 -2.487 -13.272 1.00 0.00 C ATOM 390 CG GLN B 4 7.681 -1.821 -14.628 1.00 0.00 C ATOM 391 CD GLN B 4 7.947 -2.856 -15.724 1.00 0.00 C ATOM 392 OE1 GLN B 4 9.008 -2.893 -16.335 1.00 0.00 O ATOM 393 NE2 GLN B 4 7.017 -3.747 -16.012 1.00 0.00 N ATOM 0 H GLN B 4 6.889 -2.598 -10.374 1.00 0.00 H new ATOM 0 HA GLN B 4 8.646 -1.097 -12.167 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.948 -3.411 -13.197 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.321 -2.763 -13.245 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.842 -1.190 -14.920 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.549 -1.170 -14.525 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.126 -3.734 -15.515 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.189 -4.449 -16.732 1.00 0.00 H new ATOM 402 N HIS B 5 6.937 0.643 -12.597 1.00 0.00 N ATOM 403 CA HIS B 5 6.049 1.801 -12.748 1.00 0.00 C ATOM 404 C HIS B 5 4.971 1.563 -13.815 1.00 0.00 C ATOM 405 O HIS B 5 5.281 1.228 -14.957 1.00 0.00 O ATOM 406 CB HIS B 5 6.876 3.052 -13.102 1.00 0.00 C ATOM 407 CG HIS B 5 8.087 2.804 -13.977 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.402 2.908 -13.575 1.00 0.00 N ATOM 409 CD2 HIS B 5 8.107 2.383 -15.280 1.00 0.00 C ATOM 410 CE1 HIS B 5 10.194 2.570 -14.607 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.447 2.233 -15.673 1.00 0.00 N ATOM 0 H HIS B 5 7.817 0.764 -13.098 1.00 0.00 H new ATOM 0 HA HIS B 5 5.540 1.954 -11.797 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.225 3.766 -13.606 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.208 3.521 -12.176 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.241 2.198 -15.899 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.274 2.569 -14.583 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.786 1.929 -16.586 1.00 0.00 H new ATOM 419 N LEU B 6 3.698 1.717 -13.447 1.00 0.00 N ATOM 420 CA LEU B 6 2.563 1.355 -14.298 1.00 0.00 C ATOM 421 C LEU B 6 1.349 2.264 -14.084 1.00 0.00 C ATOM 422 O LEU B 6 0.879 2.445 -12.964 1.00 0.00 O ATOM 423 CB LEU B 6 2.121 -0.081 -14.010 1.00 0.00 C ATOM 424 CG LEU B 6 3.218 -1.136 -13.994 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.695 -2.390 -13.294 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.758 -1.587 -15.347 1.00 0.00 C ATOM 0 H LEU B 6 3.423 2.100 -12.542 1.00 0.00 H new ATOM 0 HA LEU B 6 2.909 1.466 -15.326 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.618 -0.096 -13.043 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.382 -0.368 -14.758 1.00 0.00 H new ATOM 0 HG LEU B 6 4.044 -0.643 -13.482 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.476 -3.151 -13.279 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.409 -2.143 -12.272 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.827 -2.772 -13.832 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.533 -2.339 -15.197 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.948 -2.014 -15.938 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.180 -0.731 -15.874 1.00 0.00 H new ATOM 438 N CYS B 7 0.798 2.758 -15.182 1.00 0.00 N ATOM 439 CA CYS B 7 -0.334 3.675 -15.224 1.00 0.00 C ATOM 440 C CYS B 7 -1.459 3.039 -16.055 1.00 0.00 C ATOM 441 O CYS B 7 -1.214 2.606 -17.184 1.00 0.00 O ATOM 442 CB CYS B 7 0.152 4.985 -15.857 1.00 0.00 C ATOM 443 SG CYS B 7 1.622 5.743 -15.111 1.00 0.00 S ATOM 0 H CYS B 7 1.143 2.520 -16.112 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.724 3.879 -14.227 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.361 4.799 -16.911 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.663 5.707 -15.816 1.00 0.00 H new ATOM 448 N GLY B 8 -2.679 2.950 -15.514 1.00 0.00 N ATOM 449 CA GLY B 8 -3.866 2.490 -16.254 1.00 0.00 C ATOM 450 C GLY B 8 -3.699 1.088 -16.849 1.00 0.00 C ATOM 451 O GLY B 8 -3.596 0.108 -16.116 1.00 0.00 O ATOM 0 H GLY B 8 -2.875 3.196 -14.544 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.727 2.494 -15.586 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.082 3.195 -17.057 1.00 0.00 H new ATOM 455 N SER B 9 -3.631 0.986 -18.177 1.00 0.00 N ATOM 456 CA SER B 9 -3.467 -0.272 -18.926 1.00 0.00 C ATOM 457 C SER B 9 -2.227 -1.082 -18.525 1.00 0.00 C ATOM 458 O SER B 9 -2.314 -2.304 -18.409 1.00 0.00 O ATOM 459 CB SER B 9 -3.352 0.049 -20.420 1.00 0.00 C ATOM 460 OG SER B 9 -4.480 0.792 -20.859 1.00 0.00 O ATOM 0 H SER B 9 -3.690 1.802 -18.787 1.00 0.00 H new ATOM 0 HA SER B 9 -4.342 -0.879 -18.693 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.440 0.617 -20.607 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.274 -0.876 -20.991 1.00 0.00 H new ATOM 0 HG SER B 9 -4.390 0.990 -21.815 1.00 0.00 H new ATOM 466 N HIS B 10 -1.088 -0.434 -18.252 1.00 0.00 N ATOM 467 CA HIS B 10 0.107 -1.116 -17.723 1.00 0.00 C ATOM 468 C HIS B 10 -0.130 -1.664 -16.321 1.00 0.00 C ATOM 469 O HIS B 10 0.371 -2.726 -15.960 1.00 0.00 O ATOM 470 CB HIS B 10 1.276 -0.130 -17.639 1.00 0.00 C ATOM 471 CG HIS B 10 1.709 0.407 -18.972 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.492 -0.216 -19.916 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.380 1.637 -19.460 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.625 0.626 -20.959 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.963 1.776 -20.727 1.00 0.00 N ATOM 0 H HIS B 10 -0.965 0.569 -18.389 1.00 0.00 H new ATOM 0 HA HIS B 10 0.331 -1.939 -18.402 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.992 0.703 -16.997 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.123 -0.624 -17.164 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.775 2.377 -18.957 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.185 0.409 -21.857 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.899 2.583 -21.347 1.00 0.00 H new ATOM 483 N LEU B 11 -0.882 -0.919 -15.513 1.00 0.00 N ATOM 484 CA LEU B 11 -1.139 -1.247 -14.119 1.00 0.00 C ATOM 485 C LEU B 11 -2.067 -2.466 -14.081 1.00 0.00 C ATOM 486 O LEU B 11 -1.780 -3.442 -13.393 1.00 0.00 O ATOM 487 CB LEU B 11 -1.708 0.016 -13.444 1.00 0.00 C ATOM 488 CG LEU B 11 -1.329 0.206 -11.967 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.204 1.301 -11.393 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.530 -1.054 -11.149 1.00 0.00 C ATOM 0 H LEU B 11 -1.335 -0.057 -15.817 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.244 -1.527 -13.564 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.370 0.889 -14.003 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.795 -0.011 -13.521 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.271 0.463 -11.920 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.953 1.454 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.038 2.226 -11.945 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.251 1.011 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.247 -0.864 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.578 -1.351 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.910 -1.854 -11.554 1.00 0.00 H new ATOM 502 N VAL B 12 -3.085 -2.473 -14.944 1.00 0.00 N ATOM 503 CA VAL B 12 -3.924 -3.647 -15.224 1.00 0.00 C ATOM 504 C VAL B 12 -3.071 -4.792 -15.778 1.00 0.00 C ATOM 505 O VAL B 12 -3.358 -5.932 -15.459 1.00 0.00 O ATOM 506 CB VAL B 12 -5.091 -3.328 -16.186 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.872 -4.566 -16.641 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.082 -2.383 -15.495 1.00 0.00 C ATOM 0 H VAL B 12 -3.357 -1.649 -15.480 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.369 -3.954 -14.277 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.636 -2.876 -17.067 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.675 -4.263 -17.313 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.201 -5.249 -17.162 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.297 -5.068 -15.772 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.905 -2.159 -16.174 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.473 -2.860 -14.596 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.573 -1.458 -15.223 1.00 0.00 H new ATOM 518 N GLU B 13 -1.978 -4.562 -16.512 1.00 0.00 N ATOM 519 CA GLU B 13 -1.126 -5.657 -17.006 1.00 0.00 C ATOM 520 C GLU B 13 -0.431 -6.404 -15.852 1.00 0.00 C ATOM 521 O GLU B 13 -0.133 -7.594 -15.978 1.00 0.00 O ATOM 522 CB GLU B 13 -0.109 -5.127 -18.035 1.00 0.00 C ATOM 523 CG GLU B 13 0.461 -6.195 -18.979 1.00 0.00 C ATOM 524 CD GLU B 13 -0.580 -6.664 -20.015 1.00 0.00 C ATOM 525 OE1 GLU B 13 -1.266 -7.685 -19.777 1.00 0.00 O ATOM 526 OE2 GLU B 13 -0.703 -6.022 -21.088 1.00 0.00 O ATOM 0 H GLU B 13 -1.660 -3.630 -16.779 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.767 -6.382 -17.507 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.587 -4.351 -18.632 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.716 -4.655 -17.501 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.332 -5.794 -19.497 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.802 -7.050 -18.395 1.00 0.00 H new ATOM 533 N ALA B 14 -0.229 -5.744 -14.699 1.00 0.00 N ATOM 534 CA ALA B 14 0.189 -6.406 -13.466 1.00 0.00 C ATOM 535 C ALA B 14 -1.029 -6.971 -12.723 1.00 0.00 C ATOM 536 O ALA B 14 -1.054 -8.144 -12.386 1.00 0.00 O ATOM 537 CB ALA B 14 1.001 -5.423 -12.626 1.00 0.00 C ATOM 0 H ALA B 14 -0.353 -4.736 -14.603 1.00 0.00 H new ATOM 0 HA ALA B 14 0.830 -7.259 -13.688 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.318 -5.908 -11.703 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.879 -5.103 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.387 -4.555 -12.387 1.00 0.00 H new ATOM 543 N LEU B 15 -2.082 -6.180 -12.534 1.00 0.00 N ATOM 544 CA LEU B 15 -3.326 -6.548 -11.873 1.00 0.00 C ATOM 545 C LEU B 15 -3.931 -7.857 -12.418 1.00 0.00 C ATOM 546 O LEU B 15 -4.218 -8.787 -11.678 1.00 0.00 O ATOM 547 CB LEU B 15 -4.287 -5.369 -12.117 1.00 0.00 C ATOM 548 CG LEU B 15 -5.284 -5.106 -11.008 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.230 -3.993 -11.443 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.023 -6.359 -10.638 1.00 0.00 C ATOM 0 H LEU B 15 -2.088 -5.212 -12.857 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.148 -6.733 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.696 -4.467 -12.273 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.836 -5.554 -13.040 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.755 -4.783 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.951 -3.798 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.658 -3.087 -11.644 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.758 -4.297 -12.347 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.732 -6.141 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.561 -6.735 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.313 -7.113 -10.297 1.00 0.00 H new ATOM 562 N TYR B 16 -4.050 -7.951 -13.733 1.00 0.00 N ATOM 563 CA TYR B 16 -4.627 -9.061 -14.500 1.00 0.00 C ATOM 564 C TYR B 16 -3.806 -10.345 -14.349 1.00 0.00 C ATOM 565 O TYR B 16 -4.349 -11.448 -14.414 1.00 0.00 O ATOM 566 CB TYR B 16 -4.678 -8.557 -15.958 1.00 0.00 C ATOM 567 CG TYR B 16 -5.500 -9.312 -16.986 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.197 -10.642 -17.331 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.509 -8.620 -17.685 1.00 0.00 C ATOM 570 CE1 TYR B 16 -5.952 -11.308 -18.313 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.275 -9.283 -18.664 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.005 -10.637 -18.969 1.00 0.00 C ATOM 573 OH TYR B 16 -7.734 -11.294 -19.915 1.00 0.00 O ATOM 0 H TYR B 16 -3.724 -7.202 -14.344 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.620 -9.332 -14.142 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.047 -7.532 -15.935 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.653 -8.519 -16.325 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.382 -11.153 -16.840 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.696 -7.578 -17.470 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.725 -12.333 -18.565 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.066 -8.759 -19.180 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.422 -10.695 -20.272 1.00 0.00 H new ATOM 583 N LEU B 17 -2.506 -10.203 -14.075 1.00 0.00 N ATOM 584 CA LEU B 17 -1.570 -11.297 -13.846 1.00 0.00 C ATOM 585 C LEU B 17 -1.600 -11.741 -12.376 1.00 0.00 C ATOM 586 O LEU B 17 -1.632 -12.930 -12.065 1.00 0.00 O ATOM 587 CB LEU B 17 -0.186 -10.758 -14.230 1.00 0.00 C ATOM 588 CG LEU B 17 0.960 -11.758 -14.026 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.773 -13.072 -14.782 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.273 -11.131 -14.493 1.00 0.00 C ATOM 0 H LEU B 17 -2.064 -9.286 -14.005 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.830 -12.174 -14.439 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.205 -10.454 -15.276 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.019 -9.864 -13.642 1.00 0.00 H new ATOM 0 HG LEU B 17 0.971 -11.988 -12.961 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.622 -13.727 -14.589 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.143 -13.558 -14.447 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.706 -12.870 -15.851 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.087 -11.841 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.198 -10.875 -15.550 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.471 -10.229 -13.914 1.00 0.00 H new ATOM 602 N VAL B 18 -1.633 -10.751 -11.490 1.00 0.00 N ATOM 603 CA VAL B 18 -1.673 -10.856 -10.032 1.00 0.00 C ATOM 604 C VAL B 18 -2.998 -11.472 -9.560 1.00 0.00 C ATOM 605 O VAL B 18 -3.031 -12.294 -8.645 1.00 0.00 O ATOM 606 CB VAL B 18 -1.433 -9.439 -9.458 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.692 -9.445 -7.960 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.047 -9.091 -9.680 1.00 0.00 C ATOM 0 H VAL B 18 -1.632 -9.778 -11.795 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.895 -11.527 -9.667 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.093 -8.721 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.522 -8.446 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.723 -9.743 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.016 -10.151 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.250 -8.095 -9.285 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.673 -9.820 -9.165 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.269 -9.111 -10.747 1.00 0.00 H new ATOM 618 N CYS B 19 -4.080 -11.134 -10.255 1.00 0.00 N ATOM 619 CA CYS B 19 -5.427 -11.674 -10.057 1.00 0.00 C ATOM 620 C CYS B 19 -5.749 -12.816 -11.032 1.00 0.00 C ATOM 621 O CYS B 19 -6.795 -13.447 -10.907 1.00 0.00 O ATOM 622 CB CYS B 19 -6.445 -10.535 -10.149 1.00 0.00 C ATOM 623 SG CYS B 19 -6.131 -9.175 -9.004 1.00 0.00 S ATOM 0 H CYS B 19 -4.043 -10.445 -11.006 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.481 -12.117 -9.062 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.448 -10.146 -11.167 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.441 -10.935 -9.958 1.00 0.00 H new ATOM 628 N GLY B 20 -4.863 -13.083 -12.000 1.00 0.00 N ATOM 629 CA GLY B 20 -4.889 -14.261 -12.875 1.00 0.00 C ATOM 630 C GLY B 20 -6.218 -14.461 -13.604 1.00 0.00 C ATOM 631 O GLY B 20 -6.760 -15.564 -13.614 1.00 0.00 O ATOM 0 H GLY B 20 -4.080 -12.462 -12.202 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.091 -14.172 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.675 -15.149 -12.280 1.00 0.00 H new ATOM 635 N GLU B 21 -6.779 -13.366 -14.125 1.00 0.00 N ATOM 636 CA GLU B 21 -8.109 -13.243 -14.750 1.00 0.00 C ATOM 637 C GLU B 21 -9.322 -13.783 -13.953 1.00 0.00 C ATOM 638 O GLU B 21 -10.422 -13.908 -14.500 1.00 0.00 O ATOM 639 CB GLU B 21 -8.087 -13.678 -16.224 1.00 0.00 C ATOM 640 CG GLU B 21 -7.944 -15.183 -16.490 1.00 0.00 C ATOM 641 CD GLU B 21 -8.165 -15.506 -17.979 1.00 0.00 C ATOM 642 OE1 GLU B 21 -7.177 -15.554 -18.754 1.00 0.00 O ATOM 643 OE2 GLU B 21 -9.331 -15.748 -18.385 1.00 0.00 O ATOM 0 H GLU B 21 -6.283 -12.475 -14.123 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.308 -12.172 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.008 -13.334 -16.695 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.264 -13.164 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.952 -15.517 -16.186 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.665 -15.733 -15.885 1.00 0.00 H new ATOM 650 N ARG B 22 -9.155 -14.054 -12.650 1.00 0.00 N ATOM 651 CA ARG B 22 -10.245 -14.450 -11.732 1.00 0.00 C ATOM 652 C ARG B 22 -11.246 -13.307 -11.545 1.00 0.00 C ATOM 653 O ARG B 22 -12.449 -13.495 -11.740 1.00 0.00 O ATOM 654 CB ARG B 22 -9.699 -14.881 -10.357 1.00 0.00 C ATOM 655 CG ARG B 22 -8.693 -16.046 -10.376 1.00 0.00 C ATOM 656 CD ARG B 22 -8.292 -16.471 -8.953 1.00 0.00 C ATOM 657 NE ARG B 22 -7.926 -15.324 -8.094 1.00 0.00 N ATOM 658 CZ ARG B 22 -6.748 -14.782 -7.869 1.00 0.00 C ATOM 659 NH1 ARG B 22 -5.632 -15.253 -8.351 1.00 0.00 N ATOM 660 NH2 ARG B 22 -6.710 -13.718 -7.125 1.00 0.00 N ATOM 0 H ARG B 22 -8.245 -14.005 -12.192 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.751 -15.301 -12.188 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.221 -14.020 -9.890 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -10.541 -15.162 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.129 -16.896 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.804 -15.750 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.119 -17.013 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.450 -17.161 -9.008 1.00 0.00 H new ATOM 0 HE ARG B 22 -8.705 -14.887 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -5.642 -16.087 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.749 -14.788 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -7.573 -13.334 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -5.817 -13.267 -6.926 1.00 0.00 H new ATOM 674 N GLY B 23 -10.732 -12.120 -11.214 1.00 0.00 N ATOM 675 CA GLY B 23 -11.479 -10.860 -11.190 1.00 0.00 C ATOM 676 C GLY B 23 -10.925 -9.809 -10.224 1.00 0.00 C ATOM 677 O GLY B 23 -10.202 -10.112 -9.275 1.00 0.00 O ATOM 0 H GLY B 23 -9.754 -12.006 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.490 -10.440 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.514 -11.071 -10.922 1.00 0.00 H new ATOM 681 N PHE B 24 -11.233 -8.549 -10.525 1.00 0.00 N ATOM 682 CA PHE B 24 -10.697 -7.314 -9.940 1.00 0.00 C ATOM 683 C PHE B 24 -11.532 -6.075 -10.311 1.00 0.00 C ATOM 684 O PHE B 24 -12.347 -6.111 -11.235 1.00 0.00 O ATOM 685 CB PHE B 24 -9.257 -7.115 -10.435 1.00 0.00 C ATOM 686 CG PHE B 24 -9.007 -7.142 -11.936 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.859 -8.374 -12.604 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.780 -5.944 -12.641 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.537 -8.406 -13.970 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.375 -5.973 -13.989 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.286 -7.206 -14.657 1.00 0.00 C ATOM 0 H PHE B 24 -11.924 -8.345 -11.247 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.731 -7.419 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.903 -6.157 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.638 -7.888 -9.979 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.994 -9.298 -12.062 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.918 -4.995 -12.143 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.482 -9.350 -14.491 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.135 -5.055 -14.505 1.00 0.00 H new ATOM 0 HZ PHE B 24 -8.023 -7.232 -15.704 1.00 0.00 H new ATOM 701 N PHE B 25 -11.278 -4.954 -9.623 1.00 0.00 N ATOM 702 CA PHE B 25 -11.799 -3.621 -9.960 1.00 0.00 C ATOM 703 C PHE B 25 -10.645 -2.612 -10.037 1.00 0.00 C ATOM 704 O PHE B 25 -10.145 -2.144 -9.015 1.00 0.00 O ATOM 705 CB PHE B 25 -12.840 -3.188 -8.919 1.00 0.00 C ATOM 706 CG PHE B 25 -14.141 -3.955 -8.971 1.00 0.00 C ATOM 707 CD1 PHE B 25 -14.497 -4.834 -7.931 1.00 0.00 C ATOM 708 CD2 PHE B 25 -15.010 -3.758 -10.058 1.00 0.00 C ATOM 709 CE1 PHE B 25 -15.727 -5.518 -7.981 1.00 0.00 C ATOM 710 CE2 PHE B 25 -16.229 -4.455 -10.117 1.00 0.00 C ATOM 711 CZ PHE B 25 -16.590 -5.331 -9.078 1.00 0.00 C ATOM 0 H PHE B 25 -10.687 -4.949 -8.792 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.285 -3.658 -10.935 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -12.408 -3.299 -7.925 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -13.053 -2.128 -9.057 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.828 -4.984 -7.096 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.741 -3.072 -10.847 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -16.008 -6.185 -7.179 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.889 -4.318 -10.961 1.00 0.00 H new ATOM 0 HZ PHE B 25 -17.530 -5.861 -9.121 1.00 0.00 H new ATOM 721 N TYR B 26 -10.243 -2.260 -11.259 1.00 0.00 N ATOM 722 CA TYR B 26 -9.140 -1.334 -11.562 1.00 0.00 C ATOM 723 C TYR B 26 -9.494 0.156 -11.387 1.00 0.00 C ATOM 724 O TYR B 26 -8.657 1.027 -11.633 1.00 0.00 O ATOM 725 CB TYR B 26 -8.637 -1.629 -12.981 1.00 0.00 C ATOM 726 CG TYR B 26 -9.737 -1.684 -14.027 1.00 0.00 C ATOM 727 CD1 TYR B 26 -10.384 -2.911 -14.275 1.00 0.00 C ATOM 728 CD2 TYR B 26 -10.165 -0.513 -14.679 1.00 0.00 C ATOM 729 CE1 TYR B 26 -11.483 -2.965 -15.152 1.00 0.00 C ATOM 730 CE2 TYR B 26 -11.251 -0.566 -15.572 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.919 -1.788 -15.808 1.00 0.00 C ATOM 732 OH TYR B 26 -12.977 -1.821 -16.665 1.00 0.00 O ATOM 0 H TYR B 26 -10.691 -2.624 -12.100 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.352 -1.510 -10.829 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.916 -0.863 -13.267 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.106 -2.581 -12.977 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -10.036 -3.812 -13.791 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.661 0.424 -14.494 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -11.993 -3.901 -15.324 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.575 0.331 -16.079 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.137 -0.923 -17.022 1.00 0.00 H new ATOM 742 N THR B 27 -10.727 0.472 -10.973 1.00 0.00 N ATOM 743 CA THR B 27 -11.220 1.847 -10.780 1.00 0.00 C ATOM 744 C THR B 27 -10.330 2.642 -9.795 1.00 0.00 C ATOM 745 O THR B 27 -10.099 2.159 -8.680 1.00 0.00 O ATOM 746 CB THR B 27 -12.670 1.830 -10.258 1.00 0.00 C ATOM 747 OG1 THR B 27 -13.420 0.818 -10.899 1.00 0.00 O ATOM 748 CG2 THR B 27 -13.376 3.157 -10.531 1.00 0.00 C ATOM 0 H THR B 27 -11.429 -0.236 -10.757 1.00 0.00 H new ATOM 0 HA THR B 27 -11.184 2.342 -11.751 1.00 0.00 H new ATOM 0 HB THR B 27 -12.613 1.649 -9.185 1.00 0.00 H new ATOM 0 HG1 THR B 27 -14.337 0.822 -10.553 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.396 3.111 -10.150 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.839 3.964 -10.033 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.397 3.344 -11.605 1.00 0.00 H new ATOM 756 N PRO B 28 -9.839 3.856 -10.134 1.00 0.00 N ATOM 757 CA PRO B 28 -8.885 4.594 -9.287 1.00 0.00 C ATOM 758 C PRO B 28 -9.429 5.054 -7.920 1.00 0.00 C ATOM 759 O PRO B 28 -8.656 5.216 -6.975 1.00 0.00 O ATOM 760 CB PRO B 28 -8.441 5.804 -10.117 1.00 0.00 C ATOM 761 CG PRO B 28 -8.657 5.353 -11.560 1.00 0.00 C ATOM 762 CD PRO B 28 -9.901 4.480 -11.452 1.00 0.00 C ATOM 0 HA PRO B 28 -8.069 3.920 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -9.032 6.689 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.398 6.058 -9.929 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.812 6.199 -12.230 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -7.802 4.795 -11.943 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -10.807 5.076 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.919 3.727 -12.240 1.00 0.00 H new ATOM 770 N LYS B 29 -10.747 5.272 -7.817 1.00 0.00 N ATOM 771 CA LYS B 29 -11.471 5.728 -6.625 1.00 0.00 C ATOM 772 C LYS B 29 -12.877 5.111 -6.598 1.00 0.00 C ATOM 773 O LYS B 29 -13.497 4.941 -7.647 1.00 0.00 O ATOM 774 CB LYS B 29 -11.505 7.271 -6.665 1.00 0.00 C ATOM 775 CG LYS B 29 -12.229 7.934 -5.484 1.00 0.00 C ATOM 776 CD LYS B 29 -11.496 7.763 -4.141 1.00 0.00 C ATOM 777 CE LYS B 29 -12.484 7.577 -2.985 1.00 0.00 C ATOM 778 NZ LYS B 29 -13.327 8.781 -2.744 1.00 0.00 N ATOM 0 H LYS B 29 -11.372 5.126 -8.610 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.975 5.408 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.480 7.641 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.988 7.585 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.348 8.997 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.230 7.512 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.830 6.901 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.872 8.636 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.129 6.725 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.931 7.339 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.746 8.727 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.739 9.636 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.085 8.822 -3.455 1.00 0.00 H new ATOM 792 N THR B 30 -13.389 4.789 -5.411 1.00 0.00 N ATOM 793 CA THR B 30 -14.718 4.170 -5.211 1.00 0.00 C ATOM 794 C THR B 30 -15.887 5.092 -5.589 1.00 0.00 C ATOM 795 O THR B 30 -16.786 4.677 -6.325 1.00 0.00 O ATOM 796 CB THR B 30 -14.889 3.729 -3.747 1.00 0.00 C ATOM 797 OG1 THR B 30 -14.513 4.787 -2.891 1.00 0.00 O ATOM 798 CG2 THR B 30 -14.008 2.529 -3.406 1.00 0.00 C ATOM 0 H THR B 30 -12.889 4.951 -4.537 1.00 0.00 H new ATOM 0 HA THR B 30 -14.749 3.311 -5.881 1.00 0.00 H new ATOM 0 HB THR B 30 -15.935 3.455 -3.613 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.623 4.508 -1.958 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.160 2.251 -2.363 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.273 1.689 -4.048 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.961 2.790 -3.563 1.00 0.00 H new ATOM 806 N ARG B 31 -15.859 6.344 -5.113 1.00 0.00 N ATOM 807 CA ARG B 31 -16.831 7.423 -5.381 1.00 0.00 C ATOM 808 C ARG B 31 -16.139 8.784 -5.523 1.00 0.00 C ATOM 809 O ARG B 31 -15.305 9.122 -4.648 1.00 0.00 O ATOM 810 CB ARG B 31 -17.894 7.483 -4.266 1.00 0.00 C ATOM 811 CG ARG B 31 -18.814 6.252 -4.228 1.00 0.00 C ATOM 812 CD ARG B 31 -19.934 6.424 -3.192 1.00 0.00 C ATOM 813 NE ARG B 31 -20.853 5.268 -3.187 1.00 0.00 N ATOM 814 CZ ARG B 31 -20.735 4.148 -2.498 1.00 0.00 C ATOM 815 NH1 ARG B 31 -21.639 3.215 -2.600 1.00 0.00 N ATOM 816 NH2 ARG B 31 -19.730 3.918 -1.703 1.00 0.00 N ATOM 817 OXT ARG B 31 -16.427 9.498 -6.511 1.00 0.00 O ATOM 0 H ARG B 31 -15.112 6.654 -4.491 1.00 0.00 H new ATOM 0 HA ARG B 31 -17.321 7.195 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -17.393 7.582 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -18.502 8.377 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -19.250 6.090 -5.214 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -18.228 5.365 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -19.498 6.547 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -20.494 7.334 -3.409 1.00 0.00 H new ATOM 0 HE ARG B 31 -21.675 5.344 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -22.442 3.348 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -21.543 2.351 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -18.995 4.617 -1.594 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -19.677 3.039 -1.189 1.00 0.00 H new TER 831 ARG B 31