USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 9 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.011) USER MOD Single : A 10 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -156:sc= -1.14 USER MOD Single : A 25 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-6.7!) USER MOD Single : A 27 THR OG1 : rot 115:sc= -0.445 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.59! K(o=-2.6!,f=-2) USER MOD Single : A 33 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.59) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.997 -15.291 19.133 1.00 0.00 N ATOM 2 CA GLU A 1 8.611 -15.748 17.898 1.00 0.00 C ATOM 3 C GLU A 1 7.558 -15.873 16.796 1.00 0.00 C ATOM 4 O GLU A 1 7.271 -16.974 16.328 1.00 0.00 O ATOM 5 CB GLU A 1 9.344 -17.074 18.108 1.00 0.00 C ATOM 6 CG GLU A 1 10.830 -16.939 17.769 1.00 0.00 C ATOM 7 CD GLU A 1 11.315 -18.133 16.943 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.614 -19.172 17.569 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.375 -17.978 15.704 1.00 0.00 O ATOM 0 H1 GLU A 1 8.723 -15.211 19.873 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.556 -14.362 18.978 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.271 -15.973 19.433 1.00 0.00 H new ATOM 0 HA GLU A 1 9.348 -15.008 17.587 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.231 -17.396 19.143 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.894 -17.845 17.484 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.998 -16.016 17.214 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.411 -16.868 18.688 1.00 0.00 H new ATOM 16 N GLU A 2 7.009 -14.729 16.413 1.00 0.00 N ATOM 17 CA GLU A 2 5.993 -14.696 15.375 1.00 0.00 C ATOM 18 C GLU A 2 5.504 -13.263 15.155 1.00 0.00 C ATOM 19 O GLU A 2 4.424 -12.895 15.614 1.00 0.00 O ATOM 20 CB GLU A 2 4.829 -15.627 15.718 1.00 0.00 C ATOM 21 CG GLU A 2 4.569 -16.621 14.584 1.00 0.00 C ATOM 22 CD GLU A 2 3.068 -16.828 14.370 1.00 0.00 C ATOM 23 OE1 GLU A 2 2.415 -15.850 13.947 1.00 0.00 O ATOM 24 OE2 GLU A 2 2.608 -17.960 14.633 1.00 0.00 O ATOM 0 H GLU A 2 7.249 -13.818 16.803 1.00 0.00 H new ATOM 0 HA GLU A 2 6.439 -15.053 14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.051 -16.169 16.637 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.931 -15.038 15.904 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.024 -16.255 13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.042 -17.575 14.816 1.00 0.00 H new ATOM 31 N TYR A 3 6.324 -12.493 14.455 1.00 0.00 N ATOM 32 CA TYR A 3 5.988 -11.108 14.169 1.00 0.00 C ATOM 33 C TYR A 3 6.082 -10.819 12.670 1.00 0.00 C ATOM 34 O TYR A 3 6.853 -11.461 11.958 1.00 0.00 O ATOM 35 CB TYR A 3 7.027 -10.262 14.906 1.00 0.00 C ATOM 36 CG TYR A 3 6.460 -8.986 15.532 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.226 -9.010 16.148 1.00 0.00 C ATOM 38 CD2 TYR A 3 7.184 -7.812 15.480 1.00 0.00 C ATOM 39 CE1 TYR A 3 4.692 -7.809 16.738 1.00 0.00 C ATOM 40 CE2 TYR A 3 6.650 -6.611 16.070 1.00 0.00 C ATOM 41 CZ TYR A 3 5.430 -6.669 16.669 1.00 0.00 C ATOM 42 OH TYR A 3 4.926 -5.535 17.225 1.00 0.00 O ATOM 0 H TYR A 3 7.220 -12.801 14.077 1.00 0.00 H new ATOM 0 HA TYR A 3 4.968 -10.887 14.485 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.484 -10.867 15.689 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.820 -9.991 14.209 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.660 -9.929 16.188 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.150 -7.794 14.997 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.728 -7.814 17.224 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.206 -5.686 16.037 1.00 0.00 H new ATOM 0 HH TYR A 3 5.562 -4.800 17.101 1.00 0.00 H new ATOM 52 N VAL A 4 5.287 -9.853 12.235 1.00 0.00 N ATOM 53 CA VAL A 4 5.271 -9.471 10.833 1.00 0.00 C ATOM 54 C VAL A 4 4.304 -8.302 10.638 1.00 0.00 C ATOM 55 O VAL A 4 3.159 -8.358 11.085 1.00 0.00 O ATOM 56 CB VAL A 4 4.928 -10.683 9.964 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.414 -10.833 9.806 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.615 -10.592 8.600 1.00 0.00 C ATOM 0 H VAL A 4 4.649 -9.323 12.829 1.00 0.00 H new ATOM 0 HA VAL A 4 6.258 -9.132 10.518 1.00 0.00 H new ATOM 0 HB VAL A 4 5.302 -11.574 10.469 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.197 -11.702 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.957 -10.966 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.007 -9.939 9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.355 -11.466 8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.285 -9.689 8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.696 -10.556 8.739 1.00 0.00 H new ATOM 68 N GLY A 5 4.799 -7.271 9.970 1.00 0.00 N ATOM 69 CA GLY A 5 3.992 -6.090 9.710 1.00 0.00 C ATOM 70 C GLY A 5 3.298 -5.609 10.986 1.00 0.00 C ATOM 71 O GLY A 5 2.264 -6.150 11.376 1.00 0.00 O ATOM 0 H GLY A 5 5.749 -7.228 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.622 -5.295 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.245 -6.316 8.949 1.00 0.00 H new ATOM 75 N LEU A 6 3.894 -4.598 11.600 1.00 0.00 N ATOM 76 CA LEU A 6 3.347 -4.038 12.824 1.00 0.00 C ATOM 77 C LEU A 6 2.675 -2.699 12.511 1.00 0.00 C ATOM 78 O LEU A 6 1.452 -2.625 12.401 1.00 0.00 O ATOM 79 CB LEU A 6 4.428 -3.946 13.902 1.00 0.00 C ATOM 80 CG LEU A 6 5.739 -4.676 13.602 1.00 0.00 C ATOM 81 CD1 LEU A 6 5.474 -6.108 13.134 1.00 0.00 C ATOM 82 CD2 LEU A 6 6.585 -3.892 12.596 1.00 0.00 C ATOM 0 H LEU A 6 4.751 -4.152 11.273 1.00 0.00 H new ATOM 0 HA LEU A 6 2.578 -4.694 13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.653 -2.893 14.074 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.020 -4.341 14.832 1.00 0.00 H new ATOM 0 HG LEU A 6 6.314 -4.740 14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.422 -6.605 12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.941 -6.653 13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.870 -6.088 12.227 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.511 -4.432 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.029 -3.776 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.818 -2.909 13.005 1.00 0.00 H new ATOM 94 N SER A 7 3.504 -1.675 12.377 1.00 0.00 N ATOM 95 CA SER A 7 3.006 -0.343 12.079 1.00 0.00 C ATOM 96 C SER A 7 2.961 -0.128 10.565 1.00 0.00 C ATOM 97 O SER A 7 1.896 -0.206 9.954 1.00 0.00 O ATOM 98 CB SER A 7 3.871 0.731 12.742 1.00 0.00 C ATOM 99 OG SER A 7 5.247 0.360 12.778 1.00 0.00 O ATOM 0 H SER A 7 4.518 -1.741 12.469 1.00 0.00 H new ATOM 0 HA SER A 7 1.997 -0.258 12.482 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.763 1.670 12.199 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.516 0.907 13.757 1.00 0.00 H new ATOM 0 HG SER A 7 5.767 1.072 13.207 1.00 0.00 H new ATOM 105 N ALA A 8 4.130 0.140 10.002 1.00 0.00 N ATOM 106 CA ALA A 8 4.238 0.367 8.571 1.00 0.00 C ATOM 107 C ALA A 8 5.385 -0.475 8.010 1.00 0.00 C ATOM 108 O ALA A 8 5.762 -0.323 6.849 1.00 0.00 O ATOM 109 CB ALA A 8 4.427 1.862 8.304 1.00 0.00 C ATOM 0 H ALA A 8 5.011 0.205 10.512 1.00 0.00 H new ATOM 0 HA ALA A 8 3.324 0.058 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.508 2.032 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.571 2.412 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.336 2.207 8.796 1.00 0.00 H new ATOM 115 N ASN A 9 5.908 -1.347 8.861 1.00 0.00 N ATOM 116 CA ASN A 9 7.004 -2.214 8.464 1.00 0.00 C ATOM 117 C ASN A 9 6.709 -2.802 7.083 1.00 0.00 C ATOM 118 O ASN A 9 7.629 -3.146 6.342 1.00 0.00 O ATOM 119 CB ASN A 9 7.171 -3.375 9.447 1.00 0.00 C ATOM 120 CG ASN A 9 8.268 -4.334 8.981 1.00 0.00 C ATOM 121 OD1 ASN A 9 9.396 -3.949 8.721 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.876 -5.601 8.890 1.00 0.00 N ATOM 0 H ASN A 9 5.593 -1.471 9.823 1.00 0.00 H new ATOM 0 HA ASN A 9 7.917 -1.619 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.418 -2.987 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.228 -3.914 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.535 -6.318 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.916 -5.856 9.123 1.00 0.00 H new ATOM 129 N GLN A 10 5.424 -2.900 6.778 1.00 0.00 N ATOM 130 CA GLN A 10 4.997 -3.441 5.499 1.00 0.00 C ATOM 131 C GLN A 10 4.834 -2.316 4.475 1.00 0.00 C ATOM 132 O GLN A 10 5.104 -2.507 3.290 1.00 0.00 O ATOM 133 CB GLN A 10 3.700 -4.240 5.647 1.00 0.00 C ATOM 134 CG GLN A 10 3.695 -5.454 4.717 1.00 0.00 C ATOM 135 CD GLN A 10 3.987 -6.740 5.493 1.00 0.00 C ATOM 136 OE1 GLN A 10 3.232 -7.698 5.464 1.00 0.00 O ATOM 137 NE2 GLN A 10 5.122 -6.708 6.185 1.00 0.00 N ATOM 0 H GLN A 10 4.664 -2.614 7.395 1.00 0.00 H new ATOM 0 HA GLN A 10 5.767 -4.124 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.587 -4.568 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.847 -3.600 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.726 -5.535 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.441 -5.320 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.708 -5.873 6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.407 -7.518 6.735 1.00 0.00 H new ATOM 146 N CYS A 11 4.393 -1.168 4.969 1.00 0.00 N ATOM 147 CA CYS A 11 4.191 -0.013 4.112 1.00 0.00 C ATOM 148 C CYS A 11 5.171 1.081 4.541 1.00 0.00 C ATOM 149 O CYS A 11 4.790 2.242 4.679 1.00 0.00 O ATOM 150 CB CYS A 11 2.741 0.473 4.150 1.00 0.00 C ATOM 151 SG CYS A 11 1.508 -0.820 4.545 1.00 0.00 S ATOM 0 H CYS A 11 4.170 -1.014 5.952 1.00 0.00 H new ATOM 0 HA CYS A 11 4.386 -0.288 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.659 1.271 4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.493 0.908 3.182 1.00 0.00 H new ATOM 156 N ALA A 12 6.416 0.671 4.739 1.00 0.00 N ATOM 157 CA ALA A 12 7.453 1.602 5.150 1.00 0.00 C ATOM 158 C ALA A 12 8.517 1.689 4.053 1.00 0.00 C ATOM 159 O ALA A 12 9.700 1.470 4.312 1.00 0.00 O ATOM 160 CB ALA A 12 8.036 1.157 6.493 1.00 0.00 C ATOM 0 H ALA A 12 6.729 -0.293 4.622 1.00 0.00 H new ATOM 0 HA ALA A 12 7.039 2.601 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.814 1.855 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.246 1.139 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.463 0.159 6.391 1.00 0.00 H new ATOM 166 N VAL A 13 8.058 2.009 2.852 1.00 0.00 N ATOM 167 CA VAL A 13 8.956 2.127 1.715 1.00 0.00 C ATOM 168 C VAL A 13 9.417 3.580 1.585 1.00 0.00 C ATOM 169 O VAL A 13 8.705 4.500 1.987 1.00 0.00 O ATOM 170 CB VAL A 13 8.272 1.601 0.452 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.252 0.800 -0.409 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.040 0.764 0.803 1.00 0.00 C ATOM 0 H VAL A 13 7.077 2.190 2.641 1.00 0.00 H new ATOM 0 HA VAL A 13 9.846 1.516 1.865 1.00 0.00 H new ATOM 0 HB VAL A 13 7.938 2.460 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.741 0.437 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.085 1.439 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.630 -0.048 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.573 0.402 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.340 -0.085 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.328 1.378 1.355 1.00 0.00 H new ATOM 182 N PRO A 14 10.636 3.747 1.006 1.00 0.00 N ATOM 183 CA PRO A 14 11.200 5.072 0.817 1.00 0.00 C ATOM 184 C PRO A 14 10.513 5.801 -0.340 1.00 0.00 C ATOM 185 O PRO A 14 10.889 6.921 -0.683 1.00 0.00 O ATOM 186 CB PRO A 14 12.683 4.838 0.575 1.00 0.00 C ATOM 187 CG PRO A 14 12.814 3.377 0.176 1.00 0.00 C ATOM 188 CD PRO A 14 11.507 2.681 0.518 1.00 0.00 C ATOM 0 HA PRO A 14 11.048 5.720 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.059 5.493 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.264 5.052 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.025 3.290 -0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.645 2.910 0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.080 2.189 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.654 1.912 1.276 1.00 0.00 H new ATOM 196 N ALA A 15 9.520 5.135 -0.910 1.00 0.00 N ATOM 197 CA ALA A 15 8.777 5.705 -2.021 1.00 0.00 C ATOM 198 C ALA A 15 9.513 5.405 -3.328 1.00 0.00 C ATOM 199 O ALA A 15 8.897 5.337 -4.390 1.00 0.00 O ATOM 200 CB ALA A 15 8.585 7.206 -1.790 1.00 0.00 C ATOM 0 H ALA A 15 9.212 4.206 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 15 7.786 5.257 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.028 7.634 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.032 7.364 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.559 7.691 -1.718 1.00 0.00 H new ATOM 206 N LYS A 16 10.822 5.235 -3.207 1.00 0.00 N ATOM 207 CA LYS A 16 11.648 4.944 -4.366 1.00 0.00 C ATOM 208 C LYS A 16 11.695 3.431 -4.588 1.00 0.00 C ATOM 209 O LYS A 16 12.403 2.951 -5.471 1.00 0.00 O ATOM 210 CB LYS A 16 13.029 5.586 -4.214 1.00 0.00 C ATOM 211 CG LYS A 16 13.796 4.966 -3.044 1.00 0.00 C ATOM 212 CD LYS A 16 14.632 3.772 -3.507 1.00 0.00 C ATOM 213 CE LYS A 16 16.116 4.135 -3.576 1.00 0.00 C ATOM 214 NZ LYS A 16 16.857 3.500 -2.463 1.00 0.00 N ATOM 0 H LYS A 16 11.330 5.293 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 16 11.213 5.384 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.597 5.457 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.920 6.659 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.446 5.716 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.094 4.646 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.490 2.937 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.289 3.442 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.532 3.810 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.234 5.218 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.863 3.757 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.470 3.830 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.759 2.467 -2.526 1.00 0.00 H new ATOM 228 N ASP A 17 10.931 2.722 -3.770 1.00 0.00 N ATOM 229 CA ASP A 17 10.875 1.273 -3.865 1.00 0.00 C ATOM 230 C ASP A 17 9.415 0.828 -3.961 1.00 0.00 C ATOM 231 O ASP A 17 9.094 -0.325 -3.677 1.00 0.00 O ATOM 232 CB ASP A 17 11.490 0.616 -2.627 1.00 0.00 C ATOM 233 CG ASP A 17 12.670 -0.316 -2.909 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.876 -0.626 -4.102 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.339 -0.698 -1.924 1.00 0.00 O ATOM 0 H ASP A 17 10.345 3.124 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 17 11.436 0.971 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.820 1.399 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.714 0.050 -2.111 1.00 0.00 H new ATOM 240 N ARG A 18 8.569 1.765 -4.363 1.00 0.00 N ATOM 241 CA ARG A 18 7.150 1.484 -4.500 1.00 0.00 C ATOM 242 C ARG A 18 6.889 0.679 -5.775 1.00 0.00 C ATOM 243 O ARG A 18 7.437 0.989 -6.832 1.00 0.00 O ATOM 244 CB ARG A 18 6.334 2.777 -4.546 1.00 0.00 C ATOM 245 CG ARG A 18 6.844 3.784 -3.512 1.00 0.00 C ATOM 246 CD ARG A 18 6.161 3.574 -2.160 1.00 0.00 C ATOM 247 NE ARG A 18 5.718 4.875 -1.609 1.00 0.00 N ATOM 248 CZ ARG A 18 5.656 5.154 -0.300 1.00 0.00 C ATOM 249 NH1 ARG A 18 6.008 4.227 0.601 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.243 6.362 0.108 1.00 0.00 N ATOM 0 H ARG A 18 8.839 2.720 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 18 6.842 0.904 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.393 3.213 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.284 2.556 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.923 3.679 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.657 4.799 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.306 2.908 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.850 3.091 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 18 5.443 5.604 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.324 3.308 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.961 4.440 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.976 7.068 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.196 6.575 1.104 1.00 0.00 H new ATOM 264 N VAL A 19 6.053 -0.339 -5.634 1.00 0.00 N ATOM 265 CA VAL A 19 5.713 -1.190 -6.761 1.00 0.00 C ATOM 266 C VAL A 19 4.417 -0.689 -7.401 1.00 0.00 C ATOM 267 O VAL A 19 3.943 -1.260 -8.381 1.00 0.00 O ATOM 268 CB VAL A 19 5.632 -2.649 -6.309 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.045 -3.533 -7.412 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.003 -3.163 -5.865 1.00 0.00 C ATOM 0 H VAL A 19 5.601 -0.594 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 19 6.491 -1.143 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 19 4.963 -2.697 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.998 -4.565 -7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.041 -3.188 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.677 -3.477 -8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.917 -4.203 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.704 -3.094 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.366 -2.560 -5.033 1.00 0.00 H new ATOM 280 N ASP A 20 3.880 0.374 -6.819 1.00 0.00 N ATOM 281 CA ASP A 20 2.648 0.958 -7.320 1.00 0.00 C ATOM 282 C ASP A 20 1.629 -0.154 -7.578 1.00 0.00 C ATOM 283 O ASP A 20 1.660 -0.798 -8.626 1.00 0.00 O ATOM 284 CB ASP A 20 2.885 1.698 -8.638 1.00 0.00 C ATOM 285 CG ASP A 20 1.619 2.017 -9.437 1.00 0.00 C ATOM 286 OD1 ASP A 20 1.183 1.120 -10.191 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.117 3.150 -9.277 1.00 0.00 O ATOM 0 H ASP A 20 4.276 0.845 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 20 2.280 1.661 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.407 2.631 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.548 1.097 -9.261 1.00 0.00 H new ATOM 292 N CYS A 21 0.750 -0.345 -6.605 1.00 0.00 N ATOM 293 CA CYS A 21 -0.276 -1.368 -6.714 1.00 0.00 C ATOM 294 C CYS A 21 -1.266 -0.941 -7.800 1.00 0.00 C ATOM 295 O CYS A 21 -1.932 -1.782 -8.402 1.00 0.00 O ATOM 296 CB CYS A 21 -0.970 -1.618 -5.374 1.00 0.00 C ATOM 297 SG CYS A 21 -1.293 -3.379 -4.993 1.00 0.00 S ATOM 0 H CYS A 21 0.727 0.191 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 21 0.181 -2.317 -6.994 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.356 -1.196 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.918 -1.079 -5.366 1.00 0.00 H new ATOM 302 N GLY A 22 -1.332 0.364 -8.015 1.00 0.00 N ATOM 303 CA GLY A 22 -2.230 0.913 -9.017 1.00 0.00 C ATOM 304 C GLY A 22 -3.692 0.728 -8.604 1.00 0.00 C ATOM 305 O GLY A 22 -4.293 -0.308 -8.883 1.00 0.00 O ATOM 0 H GLY A 22 -0.778 1.058 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.019 1.973 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.054 0.424 -9.975 1.00 0.00 H new ATOM 309 N TYR A 23 -4.220 1.749 -7.945 1.00 0.00 N ATOM 310 CA TYR A 23 -5.600 1.712 -7.491 1.00 0.00 C ATOM 311 C TYR A 23 -6.292 3.055 -7.730 1.00 0.00 C ATOM 312 O TYR A 23 -5.648 4.103 -7.707 1.00 0.00 O ATOM 313 CB TYR A 23 -5.541 1.444 -5.985 1.00 0.00 C ATOM 314 CG TYR A 23 -5.574 -0.041 -5.616 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.718 -0.781 -5.836 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.460 -0.639 -5.063 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.749 -2.178 -5.489 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.491 -2.036 -4.716 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.634 -2.737 -4.946 1.00 0.00 C ATOM 320 OH TYR A 23 -5.663 -4.056 -4.618 1.00 0.00 O ATOM 0 H TYR A 23 -3.718 2.606 -7.715 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.161 0.949 -8.031 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.630 1.888 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.380 1.946 -5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.590 -0.312 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.565 -0.059 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.637 -2.769 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.626 -2.517 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.000 -4.234 -3.918 1.00 0.00 H new ATOM 330 N PRO A 24 -7.630 2.979 -7.960 1.00 0.00 N ATOM 331 CA PRO A 24 -8.417 4.176 -8.204 1.00 0.00 C ATOM 332 C PRO A 24 -8.649 4.953 -6.907 1.00 0.00 C ATOM 333 O PRO A 24 -7.998 5.968 -6.661 1.00 0.00 O ATOM 334 CB PRO A 24 -9.706 3.678 -8.837 1.00 0.00 C ATOM 335 CG PRO A 24 -9.791 2.198 -8.500 1.00 0.00 C ATOM 336 CD PRO A 24 -8.427 1.756 -7.995 1.00 0.00 C ATOM 0 HA PRO A 24 -7.913 4.883 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.568 4.218 -8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.697 3.833 -9.916 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.554 2.022 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.077 1.622 -9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.499 1.302 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.982 1.012 -8.656 1.00 0.00 H new ATOM 344 N HIS A 25 -9.580 4.448 -6.110 1.00 0.00 N ATOM 345 CA HIS A 25 -9.906 5.082 -4.844 1.00 0.00 C ATOM 346 C HIS A 25 -8.988 4.539 -3.747 1.00 0.00 C ATOM 347 O HIS A 25 -9.355 3.610 -3.029 1.00 0.00 O ATOM 348 CB HIS A 25 -11.390 4.907 -4.516 1.00 0.00 C ATOM 349 CG HIS A 25 -11.783 3.487 -4.185 1.00 0.00 C ATOM 350 ND1 HIS A 25 -13.016 3.155 -3.650 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.095 2.317 -4.321 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.056 1.843 -3.474 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.865 1.325 -3.890 1.00 0.00 N ATOM 0 H HIS A 25 -10.119 3.607 -6.317 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.733 6.156 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.643 5.549 -3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.982 5.248 -5.365 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.094 2.215 -4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.886 1.282 -3.072 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.608 0.338 -3.873 1.00 0.00 H new ATOM 362 N VAL A 26 -7.813 5.142 -3.651 1.00 0.00 N ATOM 363 CA VAL A 26 -6.839 4.731 -2.654 1.00 0.00 C ATOM 364 C VAL A 26 -6.979 5.618 -1.415 1.00 0.00 C ATOM 365 O VAL A 26 -7.085 6.838 -1.530 1.00 0.00 O ATOM 366 CB VAL A 26 -5.432 4.758 -3.253 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.286 3.711 -4.359 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.084 6.155 -3.772 1.00 0.00 C ATOM 0 H VAL A 26 -7.513 5.913 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.024 3.703 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.726 4.509 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.276 3.752 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.471 2.719 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.006 3.915 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.078 6.147 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.798 6.445 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.128 6.870 -2.950 1.00 0.00 H new ATOM 378 N THR A 27 -6.976 4.971 -0.259 1.00 0.00 N ATOM 379 CA THR A 27 -7.101 5.686 1.000 1.00 0.00 C ATOM 380 C THR A 27 -6.337 4.956 2.106 1.00 0.00 C ATOM 381 O THR A 27 -5.862 3.839 1.905 1.00 0.00 O ATOM 382 CB THR A 27 -8.591 5.856 1.301 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.949 4.652 1.974 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.450 5.843 0.034 1.00 0.00 C ATOM 0 H THR A 27 -6.889 3.959 -0.168 1.00 0.00 H new ATOM 0 HA THR A 27 -6.652 6.677 0.938 1.00 0.00 H new ATOM 0 HB THR A 27 -8.748 6.792 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.208 4.858 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.499 5.967 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.145 6.659 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.319 4.893 -0.485 1.00 0.00 H new ATOM 392 N PRO A 28 -6.239 5.634 3.281 1.00 0.00 N ATOM 393 CA PRO A 28 -5.540 5.062 4.419 1.00 0.00 C ATOM 394 C PRO A 28 -6.378 3.966 5.082 1.00 0.00 C ATOM 395 O PRO A 28 -6.421 3.869 6.307 1.00 0.00 O ATOM 396 CB PRO A 28 -5.263 6.238 5.342 1.00 0.00 C ATOM 397 CG PRO A 28 -6.218 7.340 4.912 1.00 0.00 C ATOM 398 CD PRO A 28 -6.788 6.959 3.555 1.00 0.00 C ATOM 0 HA PRO A 28 -4.611 4.567 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.427 5.964 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.227 6.565 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.018 7.458 5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.697 8.295 4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.878 6.940 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.495 7.675 2.787 1.00 0.00 H new ATOM 406 N LYS A 29 -7.021 3.169 4.242 1.00 0.00 N ATOM 407 CA LYS A 29 -7.855 2.084 4.731 1.00 0.00 C ATOM 408 C LYS A 29 -8.437 1.317 3.542 1.00 0.00 C ATOM 409 O LYS A 29 -8.398 0.088 3.512 1.00 0.00 O ATOM 410 CB LYS A 29 -8.914 2.616 5.698 1.00 0.00 C ATOM 411 CG LYS A 29 -9.308 1.549 6.722 1.00 0.00 C ATOM 412 CD LYS A 29 -10.444 0.672 6.192 1.00 0.00 C ATOM 413 CE LYS A 29 -10.647 -0.558 7.078 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.820 -0.373 7.961 1.00 0.00 N ATOM 0 H LYS A 29 -6.982 3.253 3.226 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.259 1.375 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.531 3.496 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.795 2.932 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.443 0.928 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.617 2.028 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.366 1.251 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.220 0.357 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.788 -1.442 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.755 -0.731 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.943 -1.217 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.670 0.459 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.672 -0.230 7.381 1.00 0.00 H new ATOM 428 N GLU A 30 -8.963 2.075 2.591 1.00 0.00 N ATOM 429 CA GLU A 30 -9.552 1.483 1.402 1.00 0.00 C ATOM 430 C GLU A 30 -8.464 0.865 0.522 1.00 0.00 C ATOM 431 O GLU A 30 -8.641 -0.228 -0.013 1.00 0.00 O ATOM 432 CB GLU A 30 -10.368 2.516 0.622 1.00 0.00 C ATOM 433 CG GLU A 30 -10.900 1.921 -0.684 1.00 0.00 C ATOM 434 CD GLU A 30 -12.402 2.174 -0.830 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.770 3.364 -0.929 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.147 1.171 -0.839 1.00 0.00 O ATOM 0 H GLU A 30 -8.994 3.094 2.620 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.233 0.691 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.201 2.864 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.748 3.385 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.370 2.359 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.704 0.849 -0.706 1.00 0.00 H new ATOM 443 N CYS A 31 -7.363 1.592 0.399 1.00 0.00 N ATOM 444 CA CYS A 31 -6.247 1.128 -0.407 1.00 0.00 C ATOM 445 C CYS A 31 -5.631 -0.091 0.281 1.00 0.00 C ATOM 446 O CYS A 31 -5.135 -1.000 -0.384 1.00 0.00 O ATOM 447 CB CYS A 31 -5.216 2.236 -0.635 1.00 0.00 C ATOM 448 SG CYS A 31 -3.505 1.647 -0.911 1.00 0.00 S ATOM 0 H CYS A 31 -7.220 2.499 0.844 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.604 0.843 -1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.525 2.829 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.221 2.901 0.228 1.00 0.00 H new ATOM 453 N ASN A 32 -5.682 -0.073 1.605 1.00 0.00 N ATOM 454 CA ASN A 32 -5.136 -1.166 2.391 1.00 0.00 C ATOM 455 C ASN A 32 -6.225 -2.214 2.626 1.00 0.00 C ATOM 456 O ASN A 32 -5.975 -3.247 3.245 1.00 0.00 O ATOM 457 CB ASN A 32 -4.650 -0.675 3.755 1.00 0.00 C ATOM 458 CG ASN A 32 -5.397 -1.378 4.890 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.847 -2.181 5.626 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.678 -1.034 4.989 1.00 0.00 N ATOM 0 H ASN A 32 -6.094 0.682 2.153 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.296 -1.590 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.580 -0.858 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.797 0.402 3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.263 -1.449 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.075 -0.355 4.340 1.00 0.00 H new ATOM 467 N ASN A 33 -7.412 -1.911 2.120 1.00 0.00 N ATOM 468 CA ASN A 33 -8.541 -2.814 2.268 1.00 0.00 C ATOM 469 C ASN A 33 -8.694 -3.645 0.992 1.00 0.00 C ATOM 470 O ASN A 33 -8.982 -4.839 1.056 1.00 0.00 O ATOM 471 CB ASN A 33 -9.841 -2.039 2.486 1.00 0.00 C ATOM 472 CG ASN A 33 -11.050 -2.976 2.458 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.296 -3.686 1.497 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.789 -2.939 3.564 1.00 0.00 N ATOM 0 H ASN A 33 -7.616 -1.053 1.607 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.352 -3.451 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.802 -1.519 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.949 -1.278 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.618 -3.528 3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.527 -2.321 4.332 1.00 0.00 H new ATOM 481 N ARG A 34 -8.496 -2.980 -0.136 1.00 0.00 N ATOM 482 CA ARG A 34 -8.608 -3.642 -1.425 1.00 0.00 C ATOM 483 C ARG A 34 -7.604 -4.792 -1.520 1.00 0.00 C ATOM 484 O ARG A 34 -7.856 -5.787 -2.198 1.00 0.00 O ATOM 485 CB ARG A 34 -8.360 -2.661 -2.572 1.00 0.00 C ATOM 486 CG ARG A 34 -9.251 -2.984 -3.773 1.00 0.00 C ATOM 487 CD ARG A 34 -8.892 -4.346 -4.371 1.00 0.00 C ATOM 488 NE ARG A 34 -9.421 -4.449 -5.750 1.00 0.00 N ATOM 489 CZ ARG A 34 -10.711 -4.659 -6.045 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.611 -4.790 -5.061 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.101 -4.738 -7.324 1.00 0.00 N ATOM 0 H ARG A 34 -8.259 -1.989 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.622 -4.033 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.555 -1.643 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.312 -2.702 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.297 -2.982 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.140 -2.209 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.810 -4.476 -4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.305 -5.144 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.763 -4.354 -6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.314 -4.730 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.593 -4.950 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.416 -4.638 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.083 -4.898 -7.549 1.00 0.00 H new ATOM 505 N GLY A 35 -6.485 -4.617 -0.832 1.00 0.00 N ATOM 506 CA GLY A 35 -5.441 -5.628 -0.831 1.00 0.00 C ATOM 507 C GLY A 35 -4.098 -5.030 -1.255 1.00 0.00 C ATOM 508 O GLY A 35 -3.646 -5.245 -2.379 1.00 0.00 O ATOM 0 H GLY A 35 -6.279 -3.790 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.352 -6.062 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.713 -6.437 -1.509 1.00 0.00 H new ATOM 512 N CYS A 36 -3.498 -4.291 -0.333 1.00 0.00 N ATOM 513 CA CYS A 36 -2.216 -3.661 -0.598 1.00 0.00 C ATOM 514 C CYS A 36 -1.910 -2.696 0.549 1.00 0.00 C ATOM 515 O CYS A 36 -2.463 -2.827 1.640 1.00 0.00 O ATOM 516 CB CYS A 36 -2.202 -2.956 -1.956 1.00 0.00 C ATOM 517 SG CYS A 36 -0.870 -3.498 -3.088 1.00 0.00 S ATOM 0 H CYS A 36 -3.876 -4.115 0.598 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.437 -4.422 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.163 -3.119 -2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.106 -1.883 -1.792 1.00 0.00 H new ATOM 522 N CYS A 37 -1.029 -1.748 0.263 1.00 0.00 N ATOM 523 CA CYS A 37 -0.643 -0.761 1.257 1.00 0.00 C ATOM 524 C CYS A 37 -0.964 0.629 0.704 1.00 0.00 C ATOM 525 O CYS A 37 -0.942 0.840 -0.508 1.00 0.00 O ATOM 526 CB CYS A 37 0.832 -0.894 1.643 1.00 0.00 C ATOM 527 SG CYS A 37 1.161 -2.037 3.034 1.00 0.00 S ATOM 0 H CYS A 37 -0.572 -1.643 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.208 -0.926 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.392 -1.234 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.215 0.093 1.903 1.00 0.00 H new ATOM 532 N PHE A 38 -1.256 1.542 1.619 1.00 0.00 N ATOM 533 CA PHE A 38 -1.582 2.906 1.238 1.00 0.00 C ATOM 534 C PHE A 38 -0.530 3.887 1.761 1.00 0.00 C ATOM 535 O PHE A 38 0.363 3.502 2.514 1.00 0.00 O ATOM 536 CB PHE A 38 -2.932 3.238 1.876 1.00 0.00 C ATOM 537 CG PHE A 38 -3.348 4.703 1.726 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.960 5.123 0.587 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.105 5.584 2.733 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.345 6.482 0.448 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.491 6.944 2.594 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.103 7.364 1.454 1.00 0.00 C ATOM 0 H PHE A 38 -1.274 1.364 2.623 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.613 2.992 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.699 2.606 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.892 2.989 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.153 4.423 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.619 5.250 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.830 6.816 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.299 7.644 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.397 8.398 1.348 1.00 0.00 H new ATOM 552 N ASP A 39 -0.670 5.135 1.339 1.00 0.00 N ATOM 553 CA ASP A 39 0.257 6.174 1.755 1.00 0.00 C ATOM 554 C ASP A 39 -0.145 7.499 1.105 1.00 0.00 C ATOM 555 O ASP A 39 -0.606 7.521 -0.036 1.00 0.00 O ATOM 556 CB ASP A 39 1.685 5.846 1.316 1.00 0.00 C ATOM 557 CG ASP A 39 2.727 6.913 1.655 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.292 6.822 2.766 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.935 7.797 0.795 1.00 0.00 O ATOM 0 H ASP A 39 -1.411 5.450 0.713 1.00 0.00 H new ATOM 0 HA ASP A 39 0.221 6.243 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.985 4.906 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.690 5.685 0.238 1.00 0.00 H new ATOM 564 N SER A 40 0.045 8.573 1.858 1.00 0.00 N ATOM 565 CA SER A 40 -0.292 9.899 1.369 1.00 0.00 C ATOM 566 C SER A 40 0.854 10.870 1.659 1.00 0.00 C ATOM 567 O SER A 40 0.676 12.085 1.589 1.00 0.00 O ATOM 568 CB SER A 40 -1.590 10.406 2.002 1.00 0.00 C ATOM 569 OG SER A 40 -1.434 10.683 3.391 1.00 0.00 O ATOM 0 H SER A 40 0.428 8.552 2.803 1.00 0.00 H new ATOM 0 HA SER A 40 -0.445 9.838 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.916 11.309 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.374 9.661 1.867 1.00 0.00 H new ATOM 0 HG SER A 40 -2.284 11.006 3.758 1.00 0.00 H new ATOM 575 N ARG A 41 2.006 10.298 1.977 1.00 0.00 N ATOM 576 CA ARG A 41 3.181 11.097 2.277 1.00 0.00 C ATOM 577 C ARG A 41 3.508 12.023 1.103 1.00 0.00 C ATOM 578 O ARG A 41 3.669 13.228 1.285 1.00 0.00 O ATOM 579 CB ARG A 41 4.392 10.209 2.569 1.00 0.00 C ATOM 580 CG ARG A 41 5.266 10.817 3.668 1.00 0.00 C ATOM 581 CD ARG A 41 6.729 10.894 3.225 1.00 0.00 C ATOM 582 NE ARG A 41 7.427 11.967 3.968 1.00 0.00 N ATOM 583 CZ ARG A 41 8.707 12.308 3.769 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.438 11.662 2.850 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.258 13.295 4.489 1.00 0.00 N ATOM 0 H ARG A 41 2.150 9.290 2.033 1.00 0.00 H new ATOM 0 HA ARG A 41 2.959 11.692 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.056 9.218 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.981 10.081 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.904 11.815 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.188 10.216 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.222 9.938 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.783 11.087 2.154 1.00 0.00 H new ATOM 0 HE ARG A 41 6.900 12.479 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.020 10.910 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.413 11.922 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.703 13.787 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.233 13.554 4.337 1.00 0.00 H new ATOM 599 N ILE A 42 3.595 11.423 -0.075 1.00 0.00 N ATOM 600 CA ILE A 42 3.899 12.178 -1.279 1.00 0.00 C ATOM 601 C ILE A 42 3.106 11.600 -2.452 1.00 0.00 C ATOM 602 O ILE A 42 3.046 10.384 -2.627 1.00 0.00 O ATOM 603 CB ILE A 42 5.410 12.218 -1.518 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.107 11.045 -0.826 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.997 13.565 -1.092 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.599 9.708 -1.370 1.00 0.00 C ATOM 0 H ILE A 42 3.460 10.423 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 42 3.589 13.217 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 42 5.589 12.112 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.184 11.117 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.931 11.095 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.072 13.567 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.531 14.364 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.807 13.725 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.110 8.890 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.526 9.629 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.799 9.651 -2.440 1.00 0.00 H new ATOM 618 N PRO A 43 2.500 12.524 -3.246 1.00 0.00 N ATOM 619 CA PRO A 43 1.713 12.119 -4.398 1.00 0.00 C ATOM 620 C PRO A 43 2.615 11.670 -5.549 1.00 0.00 C ATOM 621 O PRO A 43 2.294 10.718 -6.260 1.00 0.00 O ATOM 622 CB PRO A 43 0.869 13.334 -4.745 1.00 0.00 C ATOM 623 CG PRO A 43 1.546 14.517 -4.073 1.00 0.00 C ATOM 624 CD PRO A 43 2.549 13.972 -3.069 1.00 0.00 C ATOM 0 HA PRO A 43 1.080 11.256 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.815 13.476 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.154 13.214 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.047 15.141 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.809 15.145 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.550 14.361 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.284 14.256 -2.050 1.00 0.00 H new ATOM 632 N GLY A 44 3.727 12.376 -5.697 1.00 0.00 N ATOM 633 CA GLY A 44 4.678 12.062 -6.750 1.00 0.00 C ATOM 634 C GLY A 44 4.871 10.549 -6.881 1.00 0.00 C ATOM 635 O GLY A 44 5.180 10.051 -7.963 1.00 0.00 O ATOM 0 H GLY A 44 3.990 13.164 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.326 12.471 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.635 12.537 -6.534 1.00 0.00 H new ATOM 639 N VAL A 45 4.681 9.862 -5.765 1.00 0.00 N ATOM 640 CA VAL A 45 4.830 8.416 -5.742 1.00 0.00 C ATOM 641 C VAL A 45 3.446 7.766 -5.699 1.00 0.00 C ATOM 642 O VAL A 45 2.439 8.450 -5.523 1.00 0.00 O ATOM 643 CB VAL A 45 5.722 8.001 -4.571 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.697 9.121 -4.200 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.882 7.583 -3.362 1.00 0.00 C ATOM 0 H VAL A 45 4.425 10.279 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 45 5.324 8.068 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 45 6.308 7.138 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.319 8.800 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.330 9.351 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.137 10.011 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.541 7.293 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.258 8.419 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.248 6.739 -3.634 1.00 0.00 H new ATOM 655 N PRO A 46 3.439 6.416 -5.867 1.00 0.00 N ATOM 656 CA PRO A 46 2.196 5.666 -5.849 1.00 0.00 C ATOM 657 C PRO A 46 1.661 5.525 -4.423 1.00 0.00 C ATOM 658 O PRO A 46 2.005 4.577 -3.718 1.00 0.00 O ATOM 659 CB PRO A 46 2.533 4.330 -6.492 1.00 0.00 C ATOM 660 CG PRO A 46 4.046 4.204 -6.422 1.00 0.00 C ATOM 661 CD PRO A 46 4.612 5.572 -6.078 1.00 0.00 C ATOM 0 HA PRO A 46 1.396 6.165 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.048 3.509 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.185 4.295 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.334 3.471 -5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.444 3.854 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.235 5.530 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.237 5.956 -6.884 1.00 0.00 H new ATOM 669 N TRP A 47 0.828 6.482 -4.040 1.00 0.00 N ATOM 670 CA TRP A 47 0.242 6.476 -2.711 1.00 0.00 C ATOM 671 C TRP A 47 0.020 5.020 -2.297 1.00 0.00 C ATOM 672 O TRP A 47 0.467 4.598 -1.231 1.00 0.00 O ATOM 673 CB TRP A 47 -1.040 7.310 -2.673 1.00 0.00 C ATOM 674 CG TRP A 47 -0.813 8.786 -2.344 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.279 9.526 -2.579 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.751 9.679 -1.706 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.116 10.824 -2.141 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.158 10.920 -1.593 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.056 9.446 -1.239 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.797 12.025 -1.016 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.681 10.560 -0.666 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.098 11.816 -0.545 1.00 0.00 C ATOM 0 H TRP A 47 0.545 7.267 -4.627 1.00 0.00 H new ATOM 0 HA TRP A 47 0.915 6.943 -1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.538 7.236 -3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.717 6.883 -1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.175 9.153 -3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.803 11.575 -2.207 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.539 8.483 -1.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.312 12.987 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.686 10.435 -0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.647 12.627 -0.089 1.00 0.00 H new ATOM 693 N CYS A 48 -0.669 4.291 -3.163 1.00 0.00 N ATOM 694 CA CYS A 48 -0.955 2.890 -2.901 1.00 0.00 C ATOM 695 C CYS A 48 0.135 2.045 -3.565 1.00 0.00 C ATOM 696 O CYS A 48 0.200 1.962 -4.790 1.00 0.00 O ATOM 697 CB CYS A 48 -2.353 2.499 -3.383 1.00 0.00 C ATOM 698 SG CYS A 48 -3.044 0.998 -2.596 1.00 0.00 S ATOM 0 H CYS A 48 -1.037 4.644 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.949 2.709 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.031 3.333 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.320 2.344 -4.461 1.00 0.00 H new ATOM 703 N PHE A 49 0.962 1.440 -2.726 1.00 0.00 N ATOM 704 CA PHE A 49 2.045 0.604 -3.216 1.00 0.00 C ATOM 705 C PHE A 49 2.057 -0.751 -2.506 1.00 0.00 C ATOM 706 O PHE A 49 1.473 -0.899 -1.433 1.00 0.00 O ATOM 707 CB PHE A 49 3.352 1.339 -2.908 1.00 0.00 C ATOM 708 CG PHE A 49 3.429 1.902 -1.488 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.567 1.060 -0.429 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.360 3.245 -1.284 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.638 1.582 0.890 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.432 3.768 0.035 1.00 0.00 C ATOM 713 CZ PHE A 49 3.569 2.925 1.093 1.00 0.00 C ATOM 0 H PHE A 49 0.904 1.512 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 49 1.921 0.423 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.187 0.655 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.474 2.156 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.623 -0.006 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.250 3.914 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.747 0.913 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.378 4.834 0.197 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.623 3.322 2.096 1.00 0.00 H new ATOM 723 N LYS A 50 2.728 -1.706 -3.133 1.00 0.00 N ATOM 724 CA LYS A 50 2.822 -3.044 -2.575 1.00 0.00 C ATOM 725 C LYS A 50 3.583 -2.986 -1.248 1.00 0.00 C ATOM 726 O LYS A 50 4.240 -1.990 -0.949 1.00 0.00 O ATOM 727 CB LYS A 50 3.435 -4.008 -3.593 1.00 0.00 C ATOM 728 CG LYS A 50 2.700 -3.931 -4.933 1.00 0.00 C ATOM 729 CD LYS A 50 3.015 -5.149 -5.802 1.00 0.00 C ATOM 730 CE LYS A 50 2.112 -6.330 -5.441 1.00 0.00 C ATOM 731 NZ LYS A 50 2.024 -7.281 -6.571 1.00 0.00 N ATOM 0 H LYS A 50 3.212 -1.580 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 50 1.829 -3.436 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.488 -3.768 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.390 -5.027 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.626 -3.872 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.989 -3.021 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.883 -4.894 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.059 -5.432 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.504 -6.839 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.116 -5.969 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.407 -8.076 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.629 -6.797 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.974 -7.640 -6.798 1.00 0.00 H new ATOM 745 N PRO A 51 3.466 -4.095 -0.470 1.00 0.00 N ATOM 746 CA PRO A 51 4.135 -4.179 0.818 1.00 0.00 C ATOM 747 C PRO A 51 5.636 -4.419 0.641 1.00 0.00 C ATOM 748 O PRO A 51 6.043 -5.417 0.049 1.00 0.00 O ATOM 749 CB PRO A 51 3.435 -5.311 1.551 1.00 0.00 C ATOM 750 CG PRO A 51 2.718 -6.120 0.482 1.00 0.00 C ATOM 751 CD PRO A 51 2.697 -5.293 -0.793 1.00 0.00 C ATOM 0 HA PRO A 51 4.069 -3.252 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.152 -5.928 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.730 -4.923 2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.229 -7.068 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.703 -6.357 0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.143 -5.837 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.677 -5.042 -1.086 1.00 0.00 H new ATOM 759 N LEU A 52 6.417 -3.486 1.166 1.00 0.00 N ATOM 760 CA LEU A 52 7.864 -3.583 1.074 1.00 0.00 C ATOM 761 C LEU A 52 8.279 -5.053 1.163 1.00 0.00 C ATOM 762 O LEU A 52 7.902 -5.752 2.102 1.00 0.00 O ATOM 763 CB LEU A 52 8.529 -2.692 2.124 1.00 0.00 C ATOM 764 CG LEU A 52 10.038 -2.872 2.299 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.617 -1.794 3.217 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.369 -4.283 2.792 1.00 0.00 C ATOM 0 H LEU A 52 6.075 -2.660 1.656 1.00 0.00 H new ATOM 0 HA LEU A 52 8.210 -3.211 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.335 -1.651 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.048 -2.875 3.085 1.00 0.00 H new ATOM 0 HG LEU A 52 10.511 -2.752 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.691 -1.946 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.431 -0.810 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.142 -1.857 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.448 -4.384 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.883 -4.456 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.012 -5.015 2.067 1.00 0.00 H new ATOM 778 N GLN A 53 9.049 -5.479 0.172 1.00 0.00 N ATOM 779 CA GLN A 53 9.519 -6.853 0.127 1.00 0.00 C ATOM 780 C GLN A 53 10.361 -7.167 1.365 1.00 0.00 C ATOM 781 O GLN A 53 11.589 -7.150 1.305 1.00 0.00 O ATOM 782 CB GLN A 53 10.309 -7.121 -1.156 1.00 0.00 C ATOM 783 CG GLN A 53 11.227 -5.943 -1.490 1.00 0.00 C ATOM 784 CD GLN A 53 10.622 -5.072 -2.593 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.425 -5.498 -3.719 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.338 -3.831 -2.207 1.00 0.00 N ATOM 0 H GLN A 53 9.359 -4.897 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 53 8.652 -7.513 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.903 -8.028 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.620 -7.295 -1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.392 -5.341 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.201 -6.315 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.528 -3.539 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.930 -3.172 -2.870 1.00 0.00 H new ATOM 795 N GLU A 54 9.667 -7.447 2.459 1.00 0.00 N ATOM 796 CA GLU A 54 10.335 -7.764 3.709 1.00 0.00 C ATOM 797 C GLU A 54 11.136 -9.060 3.569 1.00 0.00 C ATOM 798 O GLU A 54 10.715 -10.110 4.053 1.00 0.00 O ATOM 799 CB GLU A 54 9.331 -7.862 4.859 1.00 0.00 C ATOM 800 CG GLU A 54 8.419 -9.078 4.688 1.00 0.00 C ATOM 801 CD GLU A 54 6.945 -8.674 4.765 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.601 -7.658 4.123 1.00 0.00 O ATOM 803 OE2 GLU A 54 6.196 -9.390 5.464 1.00 0.00 O ATOM 0 H GLU A 54 8.648 -7.461 2.505 1.00 0.00 H new ATOM 0 HA GLU A 54 11.027 -6.955 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.864 -7.933 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.729 -6.954 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.619 -9.555 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.639 -9.814 5.462 1.00 0.00 H new ATOM 810 N ALA A 55 12.276 -8.945 2.904 1.00 0.00 N ATOM 811 CA ALA A 55 13.140 -10.095 2.694 1.00 0.00 C ATOM 812 C ALA A 55 14.524 -9.801 3.275 1.00 0.00 C ATOM 813 O ALA A 55 14.859 -8.646 3.536 1.00 0.00 O ATOM 814 CB ALA A 55 13.193 -10.428 1.201 1.00 0.00 C ATOM 0 H ALA A 55 12.622 -8.073 2.503 1.00 0.00 H new ATOM 0 HA ALA A 55 12.745 -10.970 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.841 -11.290 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.189 -10.658 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.587 -9.573 0.651 1.00 0.00 H new ATOM 820 N GLU A 56 15.291 -10.865 3.461 1.00 0.00 N ATOM 821 CA GLU A 56 16.631 -10.736 4.007 1.00 0.00 C ATOM 822 C GLU A 56 17.651 -11.383 3.069 1.00 0.00 C ATOM 823 O GLU A 56 18.281 -12.379 3.422 1.00 0.00 O ATOM 824 CB GLU A 56 16.713 -11.343 5.409 1.00 0.00 C ATOM 825 CG GLU A 56 16.889 -10.253 6.469 1.00 0.00 C ATOM 826 CD GLU A 56 18.363 -9.869 6.620 1.00 0.00 C ATOM 827 OE1 GLU A 56 18.874 -9.205 5.693 1.00 0.00 O ATOM 828 OE2 GLU A 56 18.944 -10.247 7.660 1.00 0.00 O ATOM 0 H GLU A 56 15.010 -11.821 3.243 1.00 0.00 H new ATOM 0 HA GLU A 56 16.867 -9.675 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.808 -11.913 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.548 -12.042 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.307 -9.374 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.501 -10.604 7.425 1.00 0.00 H new ATOM 835 N CYS A 57 17.783 -10.791 1.890 1.00 0.00 N ATOM 836 CA CYS A 57 18.716 -11.298 0.898 1.00 0.00 C ATOM 837 C CYS A 57 19.953 -10.397 0.898 1.00 0.00 C ATOM 838 O CYS A 57 19.941 -9.322 0.301 1.00 0.00 O ATOM 839 CB CYS A 57 18.074 -11.388 -0.488 1.00 0.00 C ATOM 840 SG CYS A 57 18.482 -12.905 -1.426 1.00 0.00 S ATOM 0 H CYS A 57 17.259 -9.965 1.600 1.00 0.00 H new ATOM 0 HA CYS A 57 19.009 -12.316 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.991 -11.327 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 57 18.383 -10.522 -1.073 1.00 0.00 H new ATOM 0 HG CYS A 57 17.884 -12.876 -2.580 1.00 0.00 H new ATOM 845 N THR A 58 20.990 -10.870 1.573 1.00 0.00 N ATOM 846 CA THR A 58 22.232 -10.121 1.658 1.00 0.00 C ATOM 847 C THR A 58 21.984 -8.746 2.284 1.00 0.00 C ATOM 848 O THR A 58 21.586 -7.809 1.593 1.00 0.00 O ATOM 849 CB THR A 58 22.838 -10.049 0.255 1.00 0.00 C ATOM 850 OG1 THR A 58 23.317 -11.370 0.017 1.00 0.00 O ATOM 851 CG2 THR A 58 24.097 -9.181 0.205 1.00 0.00 C ATOM 0 H THR A 58 20.996 -11.763 2.066 1.00 0.00 H new ATOM 0 HA THR A 58 22.949 -10.617 2.312 1.00 0.00 H new ATOM 0 HB THR A 58 22.098 -9.654 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.725 -11.415 -0.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 24.487 -9.164 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 58 23.852 -8.166 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.851 -9.594 0.875 1.00 0.00 H new ATOM 859 N PHE A 59 22.229 -8.670 3.583 1.00 0.00 N ATOM 860 CA PHE A 59 22.037 -7.426 4.309 1.00 0.00 C ATOM 861 C PHE A 59 20.640 -6.855 4.060 1.00 0.00 C ATOM 862 O PHE A 59 20.352 -5.721 4.439 1.00 0.00 O ATOM 863 CB PHE A 59 23.081 -6.437 3.785 1.00 0.00 C ATOM 864 CG PHE A 59 24.475 -6.626 4.387 1.00 0.00 C ATOM 865 CD1 PHE A 59 25.085 -7.839 4.322 1.00 0.00 C ATOM 866 CD2 PHE A 59 25.103 -5.579 4.988 1.00 0.00 C ATOM 867 CE1 PHE A 59 26.379 -8.014 4.881 1.00 0.00 C ATOM 868 CE2 PHE A 59 26.397 -5.754 5.547 1.00 0.00 C ATOM 869 CZ PHE A 59 27.007 -6.968 5.481 1.00 0.00 C ATOM 0 H PHE A 59 22.559 -9.450 4.152 1.00 0.00 H new ATOM 0 HA PHE A 59 22.143 -7.600 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 59 23.148 -6.535 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 59 22.741 -5.422 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 59 24.586 -8.670 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 59 24.618 -4.616 5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 59 26.864 -8.978 4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 59 26.896 -4.924 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 59 27.991 -7.101 5.906 1.00 0.00 H new TER 879 PHE A 59