USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 818 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 6 THR OG1 : rot 136:sc= 0.5 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -23:sc= 1.3 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 27 SER OG : rot 90:sc= 1.12 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 163:sc= -1.03 (180deg=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 105:sc= 0.842 USER MOD Single : A 68 SER OG : rot 180:sc= 0.022 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0438 USER MOD Single : A 76 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.2) USER MOD Single : A 78 MET CE :methyl -160:sc= -1.51 (180deg=-2.17) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00372 USER MOD Single : A 91 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.084) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 96 THR OG1 : rot -85:sc= 0.775 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot -18:sc= 1.04 USER MOD Single : B -7 PHE N :NH3+ 174:sc= 0.733 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.425 -1.021 -7.038 1.00 44.44 N ATOM 43 CA LEU A 2 6.748 -1.177 -7.634 1.00 73.23 C ATOM 44 C LEU A 2 6.992 -2.626 -8.045 1.00 51.30 C ATOM 45 O LEU A 2 6.535 -3.556 -7.381 1.00 14.14 O ATOM 46 CB LEU A 2 7.829 -0.725 -6.651 1.00 53.20 C ATOM 47 CG LEU A 2 8.097 -1.660 -5.471 1.00 70.15 C ATOM 48 CD1 LEU A 2 9.401 -2.415 -5.675 1.00 4.02 C ATOM 49 CD2 LEU A 2 8.129 -0.877 -4.167 1.00 24.31 C ATOM 0 HA LEU A 2 6.793 -0.552 -8.526 1.00 73.23 H new ATOM 0 HB2 LEU A 2 8.760 -0.592 -7.202 1.00 53.20 H new ATOM 0 HB3 LEU A 2 7.549 0.252 -6.258 1.00 53.20 H new ATOM 0 HG LEU A 2 7.286 -2.386 -5.415 1.00 70.15 H new ATOM 0 HD11 LEU A 2 9.576 -3.076 -4.826 1.00 4.02 H new ATOM 0 HD12 LEU A 2 9.340 -3.007 -6.588 1.00 4.02 H new ATOM 0 HD13 LEU A 2 10.224 -1.705 -5.757 1.00 4.02 H new ATOM 0 HD21 LEU A 2 8.321 -1.558 -3.338 1.00 24.31 H new ATOM 0 HD22 LEU A 2 8.920 -0.128 -4.212 1.00 24.31 H new ATOM 0 HD23 LEU A 2 7.169 -0.383 -4.016 1.00 24.31 H new ATOM 61 N PHE A 3 7.717 -2.810 -9.143 1.00 44.31 N ATOM 62 CA PHE A 3 8.024 -4.145 -9.642 1.00 71.30 C ATOM 63 C PHE A 3 9.520 -4.300 -9.897 1.00 23.50 C ATOM 64 O PHE A 3 10.203 -3.341 -10.253 1.00 52.54 O ATOM 65 CB PHE A 3 7.244 -4.423 -10.929 1.00 23.41 C ATOM 66 CG PHE A 3 5.767 -4.588 -10.711 1.00 42.43 C ATOM 67 CD1 PHE A 3 4.990 -3.515 -10.303 1.00 24.30 C ATOM 68 CD2 PHE A 3 5.156 -5.814 -10.916 1.00 15.24 C ATOM 69 CE1 PHE A 3 3.631 -3.664 -10.101 1.00 62.03 C ATOM 70 CE2 PHE A 3 3.797 -5.968 -10.716 1.00 34.50 C ATOM 71 CZ PHE A 3 3.033 -4.892 -10.309 1.00 43.33 C ATOM 0 H PHE A 3 8.103 -2.051 -9.704 1.00 44.31 H new ATOM 0 HA PHE A 3 7.727 -4.867 -8.882 1.00 71.30 H new ATOM 0 HB2 PHE A 3 7.411 -3.605 -11.629 1.00 23.41 H new ATOM 0 HB3 PHE A 3 7.638 -5.326 -11.395 1.00 23.41 H new ATOM 0 HD1 PHE A 3 5.452 -2.552 -10.141 1.00 24.30 H new ATOM 0 HD2 PHE A 3 5.748 -6.659 -11.236 1.00 15.24 H new ATOM 0 HE1 PHE A 3 3.037 -2.821 -9.781 1.00 62.03 H new ATOM 0 HE2 PHE A 3 3.333 -6.930 -10.878 1.00 34.50 H new ATOM 0 HZ PHE A 3 1.971 -5.010 -10.154 1.00 43.33 H new ATOM 81 N ALA A 4 10.023 -5.517 -9.711 1.00 1.51 N ATOM 82 CA ALA A 4 11.438 -5.799 -9.922 1.00 15.23 C ATOM 83 C ALA A 4 11.629 -6.907 -10.952 1.00 14.40 C ATOM 84 O ALA A 4 10.674 -7.583 -11.336 1.00 10.40 O ATOM 85 CB ALA A 4 12.102 -6.178 -8.606 1.00 73.25 C ATOM 0 H ALA A 4 9.472 -6.323 -9.415 1.00 1.51 H new ATOM 0 HA ALA A 4 11.910 -4.895 -10.308 1.00 15.23 H new ATOM 0 HB1 ALA A 4 13.158 -6.386 -8.778 1.00 73.25 H new ATOM 0 HB2 ALA A 4 12.005 -5.354 -7.899 1.00 73.25 H new ATOM 0 HB3 ALA A 4 11.619 -7.066 -8.197 1.00 73.25 H new ATOM 91 N VAL A 5 12.868 -7.087 -11.397 1.00 21.30 N ATOM 92 CA VAL A 5 13.184 -8.114 -12.383 1.00 4.20 C ATOM 93 C VAL A 5 14.430 -8.896 -11.982 1.00 1.31 C ATOM 94 O VAL A 5 15.464 -8.313 -11.654 1.00 64.11 O ATOM 95 CB VAL A 5 13.403 -7.502 -13.780 1.00 20.15 C ATOM 96 CG1 VAL A 5 14.477 -6.427 -13.729 1.00 44.44 C ATOM 97 CG2 VAL A 5 13.767 -8.585 -14.784 1.00 25.02 C ATOM 0 H VAL A 5 13.669 -6.535 -11.091 1.00 21.30 H new ATOM 0 HA VAL A 5 12.330 -8.791 -12.420 1.00 4.20 H new ATOM 0 HB VAL A 5 12.472 -7.036 -14.104 1.00 20.15 H new ATOM 0 HG11 VAL A 5 14.618 -6.006 -14.725 1.00 44.44 H new ATOM 0 HG12 VAL A 5 14.170 -5.639 -13.042 1.00 44.44 H new ATOM 0 HG13 VAL A 5 15.414 -6.865 -13.384 1.00 44.44 H new ATOM 0 HG21 VAL A 5 13.918 -8.135 -15.765 1.00 25.02 H new ATOM 0 HG22 VAL A 5 14.684 -9.081 -14.467 1.00 25.02 H new ATOM 0 HG23 VAL A 5 12.960 -9.315 -14.840 1.00 25.02 H new ATOM 107 N THR A 6 14.325 -10.221 -12.010 1.00 43.24 N ATOM 108 CA THR A 6 15.443 -11.084 -11.649 1.00 53.14 C ATOM 109 C THR A 6 16.516 -11.075 -12.731 1.00 44.34 C ATOM 110 O THR A 6 16.210 -11.033 -13.924 1.00 24.31 O ATOM 111 CB THR A 6 14.979 -12.534 -11.414 1.00 44.11 C ATOM 112 OG1 THR A 6 13.876 -12.841 -12.273 1.00 71.23 O ATOM 113 CG2 THR A 6 14.573 -12.743 -9.963 1.00 73.43 C ATOM 0 H THR A 6 13.477 -10.720 -12.279 1.00 43.24 H new ATOM 0 HA THR A 6 15.862 -10.689 -10.723 1.00 53.14 H new ATOM 0 HB THR A 6 15.811 -13.200 -11.641 1.00 44.11 H new ATOM 0 HG1 THR A 6 14.010 -13.725 -12.674 1.00 71.23 H new ATOM 0 HG21 THR A 6 14.249 -13.774 -9.821 1.00 73.43 H new ATOM 0 HG22 THR A 6 15.424 -12.537 -9.314 1.00 73.43 H new ATOM 0 HG23 THR A 6 13.755 -12.068 -9.713 1.00 73.43 H new ATOM 121 N LEU A 7 17.775 -11.114 -12.309 1.00 64.23 N ATOM 122 CA LEU A 7 18.896 -11.111 -13.243 1.00 70.43 C ATOM 123 C LEU A 7 19.710 -12.396 -13.121 1.00 52.34 C ATOM 124 O LEU A 7 20.491 -12.734 -14.011 1.00 31.52 O ATOM 125 CB LEU A 7 19.794 -9.899 -12.990 1.00 32.24 C ATOM 126 CG LEU A 7 19.087 -8.546 -12.908 1.00 40.33 C ATOM 127 CD1 LEU A 7 19.864 -7.591 -12.015 1.00 14.20 C ATOM 128 CD2 LEU A 7 18.909 -7.953 -14.298 1.00 52.33 C ATOM 0 H LEU A 7 18.045 -11.148 -11.326 1.00 64.23 H new ATOM 0 HA LEU A 7 18.494 -11.052 -14.254 1.00 70.43 H new ATOM 0 HB2 LEU A 7 20.335 -10.061 -12.058 1.00 32.24 H new ATOM 0 HB3 LEU A 7 20.538 -9.850 -13.786 1.00 32.24 H new ATOM 0 HG LEU A 7 18.101 -8.699 -12.470 1.00 40.33 H new ATOM 0 HD11 LEU A 7 19.346 -6.633 -11.969 1.00 14.20 H new ATOM 0 HD12 LEU A 7 19.940 -8.011 -11.012 1.00 14.20 H new ATOM 0 HD13 LEU A 7 20.864 -7.443 -12.423 1.00 14.20 H new ATOM 0 HD21 LEU A 7 18.404 -6.990 -14.221 1.00 52.33 H new ATOM 0 HD22 LEU A 7 19.885 -7.815 -14.762 1.00 52.33 H new ATOM 0 HD23 LEU A 7 18.310 -8.629 -14.908 1.00 52.33 H new ATOM 140 N TYR A 8 19.520 -13.107 -12.016 1.00 31.30 N ATOM 141 CA TYR A 8 20.236 -14.355 -11.777 1.00 44.45 C ATOM 142 C TYR A 8 19.271 -15.473 -11.396 1.00 62.03 C ATOM 143 O TYR A 8 18.101 -15.225 -11.108 1.00 30.52 O ATOM 144 CB TYR A 8 21.278 -14.166 -10.673 1.00 54.10 C ATOM 145 CG TYR A 8 22.236 -13.026 -10.933 1.00 64.11 C ATOM 146 CD1 TYR A 8 21.870 -11.711 -10.674 1.00 34.24 C ATOM 147 CD2 TYR A 8 23.508 -13.264 -11.439 1.00 43.51 C ATOM 148 CE1 TYR A 8 22.742 -10.666 -10.910 1.00 71.33 C ATOM 149 CE2 TYR A 8 24.388 -12.225 -11.677 1.00 74.14 C ATOM 150 CZ TYR A 8 24.000 -10.928 -11.412 1.00 32.44 C ATOM 151 OH TYR A 8 24.872 -9.891 -11.649 1.00 63.10 O ATOM 0 H TYR A 8 18.876 -12.841 -11.271 1.00 31.30 H new ATOM 0 HA TYR A 8 20.742 -14.637 -12.700 1.00 44.45 H new ATOM 0 HB2 TYR A 8 20.765 -13.990 -9.727 1.00 54.10 H new ATOM 0 HB3 TYR A 8 21.847 -15.089 -10.560 1.00 54.10 H new ATOM 0 HD1 TYR A 8 20.886 -11.502 -10.281 1.00 34.24 H new ATOM 0 HD2 TYR A 8 23.814 -14.278 -11.650 1.00 43.51 H new ATOM 0 HE1 TYR A 8 22.441 -9.650 -10.703 1.00 71.33 H new ATOM 0 HE2 TYR A 8 25.374 -12.428 -12.068 1.00 74.14 H new ATOM 0 HH TYR A 8 24.692 -9.162 -11.019 1.00 63.10 H new ATOM 161 N GLU A 9 19.772 -16.704 -11.397 1.00 64.34 N ATOM 162 CA GLU A 9 18.955 -17.861 -11.052 1.00 31.31 C ATOM 163 C GLU A 9 19.060 -18.176 -9.562 1.00 74.24 C ATOM 164 O GLU A 9 20.113 -18.589 -9.076 1.00 52.31 O ATOM 165 CB GLU A 9 19.383 -19.079 -11.873 1.00 72.51 C ATOM 166 CG GLU A 9 18.791 -20.388 -11.375 1.00 5.50 C ATOM 167 CD GLU A 9 17.277 -20.356 -11.311 1.00 32.02 C ATOM 168 OE1 GLU A 9 16.642 -20.207 -12.376 1.00 15.33 O ATOM 169 OE2 GLU A 9 16.727 -20.480 -10.197 1.00 31.33 O ATOM 0 H GLU A 9 20.739 -16.926 -11.633 1.00 64.34 H new ATOM 0 HA GLU A 9 17.917 -17.623 -11.284 1.00 31.31 H new ATOM 0 HB2 GLU A 9 19.088 -18.928 -12.911 1.00 72.51 H new ATOM 0 HB3 GLU A 9 20.470 -19.153 -11.858 1.00 72.51 H new ATOM 0 HG2 GLU A 9 19.106 -21.198 -12.032 1.00 5.50 H new ATOM 0 HG3 GLU A 9 19.188 -20.609 -10.384 1.00 5.50 H new ATOM 176 N PHE A 10 17.960 -17.978 -8.843 1.00 51.01 N ATOM 177 CA PHE A 10 17.927 -18.239 -7.409 1.00 2.23 C ATOM 178 C PHE A 10 17.456 -19.662 -7.125 1.00 63.34 C ATOM 179 O PHE A 10 16.371 -20.065 -7.544 1.00 53.33 O ATOM 180 CB PHE A 10 17.008 -17.236 -6.707 1.00 61.54 C ATOM 181 CG PHE A 10 17.369 -16.997 -5.269 1.00 41.43 C ATOM 182 CD1 PHE A 10 18.658 -16.629 -4.917 1.00 33.11 C ATOM 183 CD2 PHE A 10 16.420 -17.138 -4.270 1.00 72.01 C ATOM 184 CE1 PHE A 10 18.993 -16.409 -3.594 1.00 54.42 C ATOM 185 CE2 PHE A 10 16.749 -16.918 -2.946 1.00 33.43 C ATOM 186 CZ PHE A 10 18.037 -16.552 -2.608 1.00 33.24 C ATOM 0 H PHE A 10 17.080 -17.638 -9.230 1.00 51.01 H new ATOM 0 HA PHE A 10 18.940 -18.126 -7.022 1.00 2.23 H new ATOM 0 HB2 PHE A 10 17.041 -16.288 -7.244 1.00 61.54 H new ATOM 0 HB3 PHE A 10 15.981 -17.597 -6.760 1.00 61.54 H new ATOM 0 HD1 PHE A 10 19.409 -16.513 -5.685 1.00 33.11 H new ATOM 0 HD2 PHE A 10 15.411 -17.423 -4.529 1.00 72.01 H new ATOM 0 HE1 PHE A 10 20.002 -16.126 -3.332 1.00 54.42 H new ATOM 0 HE2 PHE A 10 16.000 -17.032 -2.177 1.00 33.43 H new ATOM 0 HZ PHE A 10 18.296 -16.378 -1.574 1.00 33.24 H new ATOM 196 N LYS A 11 18.281 -20.421 -6.412 1.00 2.24 N ATOM 197 CA LYS A 11 17.951 -21.799 -6.070 1.00 64.53 C ATOM 198 C LYS A 11 17.473 -21.903 -4.626 1.00 1.14 C ATOM 199 O LYS A 11 18.278 -21.904 -3.694 1.00 75.23 O ATOM 200 CB LYS A 11 19.168 -22.704 -6.282 1.00 13.10 C ATOM 201 CG LYS A 11 19.565 -22.857 -7.740 1.00 22.21 C ATOM 202 CD LYS A 11 21.067 -23.029 -7.893 1.00 42.42 C ATOM 203 CE LYS A 11 21.411 -23.869 -9.114 1.00 14.23 C ATOM 204 NZ LYS A 11 22.871 -23.854 -9.404 1.00 40.24 N ATOM 0 H LYS A 11 19.184 -20.104 -6.059 1.00 2.24 H new ATOM 0 HA LYS A 11 17.143 -22.126 -6.725 1.00 64.53 H new ATOM 0 HB2 LYS A 11 20.013 -22.299 -5.725 1.00 13.10 H new ATOM 0 HB3 LYS A 11 18.955 -23.689 -5.867 1.00 13.10 H new ATOM 0 HG2 LYS A 11 19.053 -23.719 -8.169 1.00 22.21 H new ATOM 0 HG3 LYS A 11 19.239 -21.981 -8.301 1.00 22.21 H new ATOM 0 HD2 LYS A 11 21.539 -22.050 -7.979 1.00 42.42 H new ATOM 0 HD3 LYS A 11 21.473 -23.502 -6.999 1.00 42.42 H new ATOM 0 HE2 LYS A 11 21.083 -24.896 -8.952 1.00 14.23 H new ATOM 0 HE3 LYS A 11 20.865 -23.493 -9.979 1.00 14.23 H new ATOM 0 HZ1 LYS A 11 23.064 -24.438 -10.243 1.00 40.24 H new ATOM 0 HZ2 LYS A 11 23.179 -22.877 -9.583 1.00 40.24 H new ATOM 0 HZ3 LYS A 11 23.391 -24.237 -8.589 1.00 40.24 H new ATOM 218 N ALA A 12 16.159 -21.991 -4.447 1.00 1.41 N ATOM 219 CA ALA A 12 15.575 -22.098 -3.116 1.00 33.11 C ATOM 220 C ALA A 12 16.056 -23.358 -2.405 1.00 23.20 C ATOM 221 O ALA A 12 16.450 -24.331 -3.047 1.00 21.31 O ATOM 222 CB ALA A 12 14.056 -22.087 -3.204 1.00 72.30 C ATOM 0 H ALA A 12 15.479 -21.990 -5.207 1.00 1.41 H new ATOM 0 HA ALA A 12 15.901 -21.237 -2.533 1.00 33.11 H new ATOM 0 HB1 ALA A 12 13.633 -22.168 -2.203 1.00 72.30 H new ATOM 0 HB2 ALA A 12 13.725 -21.156 -3.664 1.00 72.30 H new ATOM 0 HB3 ALA A 12 13.720 -22.930 -3.808 1.00 72.30 H new ATOM 228 N GLU A 13 16.022 -23.332 -1.076 1.00 64.23 N ATOM 229 CA GLU A 13 16.458 -24.473 -0.279 1.00 75.22 C ATOM 230 C GLU A 13 15.340 -24.950 0.643 1.00 34.24 C ATOM 231 O GLU A 13 15.189 -26.148 0.886 1.00 41.21 O ATOM 232 CB GLU A 13 17.693 -24.106 0.546 1.00 52.13 C ATOM 233 CG GLU A 13 17.491 -22.892 1.437 1.00 53.11 C ATOM 234 CD GLU A 13 18.785 -22.402 2.057 1.00 14.41 C ATOM 235 OE1 GLU A 13 19.431 -23.187 2.782 1.00 53.32 O ATOM 236 OE2 GLU A 13 19.151 -21.232 1.817 1.00 50.01 O ATOM 0 H GLU A 13 15.697 -22.534 -0.529 1.00 64.23 H new ATOM 0 HA GLU A 13 16.714 -25.284 -0.961 1.00 75.22 H new ATOM 0 HB2 GLU A 13 17.972 -24.958 1.165 1.00 52.13 H new ATOM 0 HB3 GLU A 13 18.527 -23.916 -0.129 1.00 52.13 H new ATOM 0 HG2 GLU A 13 17.045 -22.087 0.853 1.00 53.11 H new ATOM 0 HG3 GLU A 13 16.784 -23.141 2.229 1.00 53.11 H new ATOM 243 N ARG A 14 14.559 -24.004 1.155 1.00 32.43 N ATOM 244 CA ARG A 14 13.456 -24.327 2.053 1.00 71.04 C ATOM 245 C ARG A 14 12.131 -23.820 1.490 1.00 2.31 C ATOM 246 O ARG A 14 12.080 -23.283 0.383 1.00 2.34 O ATOM 247 CB ARG A 14 13.701 -23.720 3.435 1.00 20.02 C ATOM 248 CG ARG A 14 14.767 -24.447 4.239 1.00 14.12 C ATOM 249 CD ARG A 14 14.239 -25.754 4.810 1.00 70.02 C ATOM 250 NE ARG A 14 15.142 -26.319 5.809 1.00 71.10 N ATOM 251 CZ ARG A 14 15.197 -25.902 7.069 1.00 63.01 C ATOM 252 NH1 ARG A 14 14.406 -24.922 7.482 1.00 52.34 N ATOM 253 NH2 ARG A 14 16.046 -26.466 7.919 1.00 35.31 N ATOM 0 H ARG A 14 14.669 -23.008 0.964 1.00 32.43 H new ATOM 0 HA ARG A 14 13.401 -25.412 2.145 1.00 71.04 H new ATOM 0 HB2 ARG A 14 13.995 -22.677 3.318 1.00 20.02 H new ATOM 0 HB3 ARG A 14 12.767 -23.727 3.996 1.00 20.02 H new ATOM 0 HG2 ARG A 14 15.629 -24.648 3.604 1.00 14.12 H new ATOM 0 HG3 ARG A 14 15.112 -23.807 5.051 1.00 14.12 H new ATOM 0 HD2 ARG A 14 13.261 -25.584 5.260 1.00 70.02 H new ATOM 0 HD3 ARG A 14 14.098 -26.472 4.002 1.00 70.02 H new ATOM 0 HE ARG A 14 15.764 -27.075 5.524 1.00 71.10 H new ATOM 0 HH11 ARG A 14 13.753 -24.486 6.832 1.00 52.34 H new ATOM 0 HH12 ARG A 14 14.451 -24.604 8.450 1.00 52.34 H new ATOM 0 HH21 ARG A 14 16.657 -27.220 7.605 1.00 35.31 H new ATOM 0 HH22 ARG A 14 16.088 -26.145 8.886 1.00 35.31 H new ATOM 267 N ASP A 15 11.062 -23.994 2.259 1.00 24.24 N ATOM 268 CA ASP A 15 9.737 -23.554 1.839 1.00 44.24 C ATOM 269 C ASP A 15 9.660 -22.031 1.792 1.00 1.14 C ATOM 270 O ASP A 15 9.033 -21.458 0.901 1.00 65.11 O ATOM 271 CB ASP A 15 8.669 -24.102 2.786 1.00 24.51 C ATOM 272 CG ASP A 15 8.375 -25.569 2.539 1.00 13.02 C ATOM 273 OD1 ASP A 15 8.754 -26.077 1.463 1.00 12.15 O ATOM 274 OD2 ASP A 15 7.764 -26.209 3.421 1.00 1.54 O ATOM 0 H ASP A 15 11.087 -24.437 3.177 1.00 24.24 H new ATOM 0 HA ASP A 15 9.554 -23.941 0.836 1.00 44.24 H new ATOM 0 HB2 ASP A 15 8.998 -23.969 3.817 1.00 24.51 H new ATOM 0 HB3 ASP A 15 7.752 -23.525 2.667 1.00 24.51 H new ATOM 279 N ASP A 16 10.300 -21.382 2.759 1.00 50.33 N ATOM 280 CA ASP A 16 10.304 -19.925 2.829 1.00 71.14 C ATOM 281 C ASP A 16 11.005 -19.325 1.614 1.00 53.31 C ATOM 282 O ASP A 16 10.641 -18.246 1.146 1.00 34.42 O ATOM 283 CB ASP A 16 10.991 -19.457 4.112 1.00 12.34 C ATOM 284 CG ASP A 16 12.486 -19.709 4.094 1.00 14.14 C ATOM 285 OD1 ASP A 16 13.216 -18.902 3.482 1.00 5.13 O ATOM 286 OD2 ASP A 16 12.925 -20.713 4.693 1.00 13.32 O ATOM 0 H ASP A 16 10.822 -21.842 3.505 1.00 50.33 H new ATOM 0 HA ASP A 16 9.269 -19.583 2.835 1.00 71.14 H new ATOM 0 HB2 ASP A 16 10.807 -18.392 4.251 1.00 12.34 H new ATOM 0 HB3 ASP A 16 10.549 -19.971 4.966 1.00 12.34 H new ATOM 291 N GLU A 17 12.012 -20.030 1.109 1.00 20.33 N ATOM 292 CA GLU A 17 12.765 -19.565 -0.050 1.00 34.02 C ATOM 293 C GLU A 17 12.001 -19.843 -1.341 1.00 51.35 C ATOM 294 O GLU A 17 11.270 -20.829 -1.445 1.00 24.15 O ATOM 295 CB GLU A 17 14.136 -20.241 -0.100 1.00 43.00 C ATOM 296 CG GLU A 17 15.223 -19.369 -0.706 1.00 52.14 C ATOM 297 CD GLU A 17 15.712 -18.297 0.249 1.00 75.34 C ATOM 298 OE1 GLU A 17 14.877 -17.498 0.722 1.00 31.53 O ATOM 299 OE2 GLU A 17 16.930 -18.258 0.522 1.00 35.12 O ATOM 0 H GLU A 17 12.325 -20.925 1.484 1.00 20.33 H new ATOM 0 HA GLU A 17 12.903 -18.488 0.046 1.00 34.02 H new ATOM 0 HB2 GLU A 17 14.430 -20.523 0.911 1.00 43.00 H new ATOM 0 HB3 GLU A 17 14.057 -21.162 -0.677 1.00 43.00 H new ATOM 0 HG2 GLU A 17 16.063 -19.996 -1.003 1.00 52.14 H new ATOM 0 HG3 GLU A 17 14.842 -18.897 -1.612 1.00 52.14 H new ATOM 306 N LEU A 18 12.175 -18.966 -2.324 1.00 74.14 N ATOM 307 CA LEU A 18 11.502 -19.115 -3.610 1.00 61.23 C ATOM 308 C LEU A 18 12.503 -19.050 -4.759 1.00 42.32 C ATOM 309 O LEU A 18 13.217 -18.059 -4.918 1.00 23.42 O ATOM 310 CB LEU A 18 10.440 -18.028 -3.782 1.00 12.13 C ATOM 311 CG LEU A 18 9.211 -18.414 -4.606 1.00 42.10 C ATOM 312 CD1 LEU A 18 8.428 -19.517 -3.912 1.00 34.11 C ATOM 313 CD2 LEU A 18 8.327 -17.199 -4.846 1.00 72.00 C ATOM 0 H LEU A 18 12.776 -18.145 -2.255 1.00 74.14 H new ATOM 0 HA LEU A 18 11.019 -20.092 -3.628 1.00 61.23 H new ATOM 0 HB2 LEU A 18 10.106 -17.715 -2.793 1.00 12.13 H new ATOM 0 HB3 LEU A 18 10.908 -17.162 -4.249 1.00 12.13 H new ATOM 0 HG LEU A 18 9.548 -18.789 -5.572 1.00 42.10 H new ATOM 0 HD11 LEU A 18 7.557 -19.778 -4.513 1.00 34.11 H new ATOM 0 HD12 LEU A 18 9.063 -20.395 -3.793 1.00 34.11 H new ATOM 0 HD13 LEU A 18 8.101 -19.170 -2.932 1.00 34.11 H new ATOM 0 HD21 LEU A 18 7.457 -17.492 -5.434 1.00 72.00 H new ATOM 0 HD22 LEU A 18 7.998 -16.794 -3.889 1.00 72.00 H new ATOM 0 HD23 LEU A 18 8.891 -16.440 -5.387 1.00 72.00 H new ATOM 325 N ASP A 19 12.548 -20.109 -5.559 1.00 21.51 N ATOM 326 CA ASP A 19 13.459 -20.171 -6.696 1.00 22.31 C ATOM 327 C ASP A 19 12.933 -19.338 -7.860 1.00 53.11 C ATOM 328 O ASP A 19 11.726 -19.270 -8.093 1.00 32.21 O ATOM 329 CB ASP A 19 13.658 -21.622 -7.139 1.00 52.43 C ATOM 330 CG ASP A 19 12.400 -22.222 -7.735 1.00 72.22 C ATOM 331 OD1 ASP A 19 12.006 -21.798 -8.842 1.00 65.44 O ATOM 332 OD2 ASP A 19 11.809 -23.117 -7.095 1.00 10.51 O ATOM 0 H ASP A 19 11.964 -20.937 -5.441 1.00 21.51 H new ATOM 0 HA ASP A 19 14.419 -19.760 -6.384 1.00 22.31 H new ATOM 0 HB2 ASP A 19 14.462 -21.668 -7.873 1.00 52.43 H new ATOM 0 HB3 ASP A 19 13.973 -22.220 -6.284 1.00 52.43 H new ATOM 337 N VAL A 20 13.846 -18.704 -8.588 1.00 44.22 N ATOM 338 CA VAL A 20 13.475 -17.875 -9.728 1.00 54.43 C ATOM 339 C VAL A 20 14.572 -17.871 -10.786 1.00 42.24 C ATOM 340 O VAL A 20 15.744 -18.093 -10.481 1.00 12.52 O ATOM 341 CB VAL A 20 13.187 -16.424 -9.297 1.00 62.14 C ATOM 342 CG1 VAL A 20 14.470 -15.731 -8.865 1.00 22.35 C ATOM 343 CG2 VAL A 20 12.512 -15.658 -10.425 1.00 11.33 C ATOM 0 H VAL A 20 14.849 -18.749 -8.408 1.00 44.22 H new ATOM 0 HA VAL A 20 12.568 -18.307 -10.151 1.00 54.43 H new ATOM 0 HB VAL A 20 12.508 -16.444 -8.444 1.00 62.14 H new ATOM 0 HG11 VAL A 20 14.247 -14.707 -8.564 1.00 22.35 H new ATOM 0 HG12 VAL A 20 14.909 -16.269 -8.025 1.00 22.35 H new ATOM 0 HG13 VAL A 20 15.175 -15.719 -9.696 1.00 22.35 H new ATOM 0 HG21 VAL A 20 12.316 -14.635 -10.104 1.00 11.33 H new ATOM 0 HG22 VAL A 20 13.165 -15.645 -11.298 1.00 11.33 H new ATOM 0 HG23 VAL A 20 11.571 -16.144 -10.683 1.00 11.33 H new ATOM 353 N SER A 21 14.185 -17.617 -12.032 1.00 52.02 N ATOM 354 CA SER A 21 15.136 -17.587 -13.137 1.00 74.44 C ATOM 355 C SER A 21 15.403 -16.154 -13.585 1.00 44.24 C ATOM 356 O SER A 21 14.592 -15.251 -13.382 1.00 54.21 O ATOM 357 CB SER A 21 14.608 -18.411 -14.314 1.00 24.32 C ATOM 358 OG SER A 21 14.693 -19.800 -14.043 1.00 4.43 O ATOM 0 H SER A 21 13.219 -17.429 -12.302 1.00 52.02 H new ATOM 0 HA SER A 21 16.073 -18.021 -12.789 1.00 74.44 H new ATOM 0 HB2 SER A 21 13.572 -18.139 -14.516 1.00 24.32 H new ATOM 0 HB3 SER A 21 15.180 -18.177 -15.212 1.00 24.32 H new ATOM 0 HG SER A 21 15.373 -19.958 -13.355 1.00 4.43 H new ATOM 364 N PRO A 22 16.570 -15.938 -14.211 1.00 24.44 N ATOM 365 CA PRO A 22 16.973 -14.617 -14.701 1.00 65.24 C ATOM 366 C PRO A 22 16.139 -14.162 -15.894 1.00 33.25 C ATOM 367 O PRO A 22 15.817 -14.955 -16.777 1.00 71.33 O ATOM 368 CB PRO A 22 18.432 -14.823 -15.117 1.00 61.14 C ATOM 369 CG PRO A 22 18.537 -16.277 -15.425 1.00 74.00 C ATOM 370 CD PRO A 22 17.586 -16.968 -14.487 1.00 21.21 C ATOM 0 HA PRO A 22 16.835 -13.843 -13.946 1.00 65.24 H new ATOM 0 HB2 PRO A 22 18.686 -14.215 -15.986 1.00 61.14 H new ATOM 0 HB3 PRO A 22 19.116 -14.537 -14.318 1.00 61.14 H new ATOM 0 HG2 PRO A 22 18.274 -16.476 -16.464 1.00 74.00 H new ATOM 0 HG3 PRO A 22 19.557 -16.634 -15.280 1.00 74.00 H new ATOM 0 HD2 PRO A 22 17.146 -17.855 -14.943 1.00 21.21 H new ATOM 0 HD3 PRO A 22 18.086 -17.293 -13.575 1.00 21.21 H new ATOM 378 N GLY A 23 15.791 -12.879 -15.912 1.00 0.13 N ATOM 379 CA GLY A 23 14.997 -12.341 -17.001 1.00 12.23 C ATOM 380 C GLY A 23 13.511 -12.360 -16.699 1.00 64.04 C ATOM 381 O GLY A 23 12.707 -11.857 -17.483 1.00 12.13 O ATOM 0 H GLY A 23 16.045 -12.203 -15.192 1.00 0.13 H new ATOM 0 HA2 GLY A 23 15.310 -11.317 -17.204 1.00 12.23 H new ATOM 0 HA3 GLY A 23 15.188 -12.918 -17.906 1.00 12.23 H new ATOM 385 N GLU A 24 13.147 -12.944 -15.562 1.00 2.31 N ATOM 386 CA GLU A 24 11.748 -13.028 -15.161 1.00 74.34 C ATOM 387 C GLU A 24 11.342 -11.807 -14.342 1.00 14.13 C ATOM 388 O GLU A 24 12.143 -11.259 -13.587 1.00 2.24 O ATOM 389 CB GLU A 24 11.502 -14.304 -14.353 1.00 13.33 C ATOM 390 CG GLU A 24 11.463 -15.564 -15.200 1.00 65.15 C ATOM 391 CD GLU A 24 10.111 -15.792 -15.847 1.00 12.50 C ATOM 392 OE1 GLU A 24 9.085 -15.576 -15.169 1.00 33.11 O ATOM 393 OE2 GLU A 24 10.079 -16.185 -17.032 1.00 1.10 O ATOM 0 H GLU A 24 13.801 -13.366 -14.903 1.00 2.31 H new ATOM 0 HA GLU A 24 11.139 -13.056 -16.064 1.00 74.34 H new ATOM 0 HB2 GLU A 24 12.286 -14.405 -13.603 1.00 13.33 H new ATOM 0 HB3 GLU A 24 10.558 -14.208 -13.817 1.00 13.33 H new ATOM 0 HG2 GLU A 24 12.226 -15.499 -15.976 1.00 65.15 H new ATOM 0 HG3 GLU A 24 11.713 -16.423 -14.578 1.00 65.15 H new ATOM 400 N ASN A 25 10.090 -11.386 -14.497 1.00 64.45 N ATOM 401 CA ASN A 25 9.577 -10.229 -13.773 1.00 63.31 C ATOM 402 C ASN A 25 8.973 -10.648 -12.436 1.00 63.42 C ATOM 403 O ASN A 25 8.072 -11.487 -12.385 1.00 3.30 O ATOM 404 CB ASN A 25 8.527 -9.500 -14.614 1.00 2.15 C ATOM 405 CG ASN A 25 9.146 -8.695 -15.740 1.00 53.21 C ATOM 406 OD1 ASN A 25 9.927 -9.217 -16.535 1.00 23.31 O ATOM 407 ND2 ASN A 25 8.797 -7.415 -15.813 1.00 65.41 N ATOM 0 H ASN A 25 9.413 -11.829 -15.118 1.00 64.45 H new ATOM 0 HA ASN A 25 10.410 -9.554 -13.579 1.00 63.31 H new ATOM 0 HB2 ASN A 25 7.831 -10.227 -15.031 1.00 2.15 H new ATOM 0 HB3 ASN A 25 7.948 -8.836 -13.972 1.00 2.15 H new ATOM 0 HD21 ASN A 25 9.180 -6.823 -16.550 1.00 65.41 H new ATOM 0 HD22 ASN A 25 8.146 -7.024 -15.132 1.00 65.41 H new ATOM 414 N LEU A 26 9.475 -10.059 -11.356 1.00 71.53 N ATOM 415 CA LEU A 26 8.985 -10.371 -10.018 1.00 12.41 C ATOM 416 C LEU A 26 8.337 -9.147 -9.377 1.00 72.43 C ATOM 417 O LEU A 26 8.769 -8.016 -9.598 1.00 24.32 O ATOM 418 CB LEU A 26 10.130 -10.875 -9.138 1.00 44.43 C ATOM 419 CG LEU A 26 10.675 -12.263 -9.476 1.00 2.20 C ATOM 420 CD1 LEU A 26 9.540 -13.268 -9.591 1.00 60.30 C ATOM 421 CD2 LEU A 26 11.484 -12.219 -10.764 1.00 63.41 C ATOM 0 H LEU A 26 10.221 -9.363 -11.381 1.00 71.53 H new ATOM 0 HA LEU A 26 8.232 -11.154 -10.107 1.00 12.41 H new ATOM 0 HB2 LEU A 26 10.950 -10.160 -9.199 1.00 44.43 H new ATOM 0 HB3 LEU A 26 9.790 -10.882 -8.103 1.00 44.43 H new ATOM 0 HG LEU A 26 11.334 -12.581 -8.668 1.00 2.20 H new ATOM 0 HD11 LEU A 26 9.947 -14.250 -9.832 1.00 60.30 H new ATOM 0 HD12 LEU A 26 9.003 -13.320 -8.644 1.00 60.30 H new ATOM 0 HD13 LEU A 26 8.856 -12.955 -10.380 1.00 60.30 H new ATOM 0 HD21 LEU A 26 11.864 -13.215 -10.989 1.00 63.41 H new ATOM 0 HD22 LEU A 26 10.848 -11.880 -11.582 1.00 63.41 H new ATOM 0 HD23 LEU A 26 12.320 -11.530 -10.645 1.00 63.41 H new ATOM 433 N SER A 27 7.298 -9.383 -8.581 1.00 45.35 N ATOM 434 CA SER A 27 6.590 -8.300 -7.910 1.00 14.15 C ATOM 435 C SER A 27 7.018 -8.194 -6.449 1.00 42.02 C ATOM 436 O SER A 27 6.746 -9.086 -5.645 1.00 0.21 O ATOM 437 CB SER A 27 5.078 -8.522 -7.994 1.00 42.44 C ATOM 438 OG SER A 27 4.376 -7.295 -7.890 1.00 42.05 O ATOM 0 H SER A 27 6.929 -10.314 -8.386 1.00 45.35 H new ATOM 0 HA SER A 27 6.843 -7.367 -8.414 1.00 14.15 H new ATOM 0 HB2 SER A 27 4.830 -9.007 -8.938 1.00 42.44 H new ATOM 0 HB3 SER A 27 4.761 -9.195 -7.197 1.00 42.44 H new ATOM 0 HG SER A 27 4.246 -6.916 -8.784 1.00 42.05 H new ATOM 444 N ILE A 28 7.690 -7.098 -6.115 1.00 1.44 N ATOM 445 CA ILE A 28 8.156 -6.874 -4.752 1.00 12.24 C ATOM 446 C ILE A 28 7.019 -6.398 -3.853 1.00 70.14 C ATOM 447 O ILE A 28 6.138 -5.656 -4.290 1.00 22.10 O ATOM 448 CB ILE A 28 9.296 -5.839 -4.709 1.00 31.21 C ATOM 449 CG1 ILE A 28 10.494 -6.335 -5.521 1.00 42.32 C ATOM 450 CG2 ILE A 28 9.704 -5.559 -3.270 1.00 74.42 C ATOM 451 CD1 ILE A 28 11.675 -5.390 -5.494 1.00 1.15 C ATOM 0 H ILE A 28 7.924 -6.351 -6.769 1.00 1.44 H new ATOM 0 HA ILE A 28 8.530 -7.830 -4.386 1.00 12.24 H new ATOM 0 HB ILE A 28 8.940 -4.909 -5.152 1.00 31.21 H new ATOM 0 HG12 ILE A 28 10.807 -7.306 -5.136 1.00 42.32 H new ATOM 0 HG13 ILE A 28 10.184 -6.487 -6.555 1.00 42.32 H new ATOM 0 HG21 ILE A 28 10.510 -4.826 -3.257 1.00 74.42 H new ATOM 0 HG22 ILE A 28 8.849 -5.168 -2.719 1.00 74.42 H new ATOM 0 HG23 ILE A 28 10.045 -6.482 -2.802 1.00 74.42 H new ATOM 0 HD11 ILE A 28 12.487 -5.806 -6.090 1.00 1.15 H new ATOM 0 HD12 ILE A 28 11.379 -4.426 -5.906 1.00 1.15 H new ATOM 0 HD13 ILE A 28 12.011 -5.257 -4.466 1.00 1.15 H new ATOM 463 N CYS A 29 7.046 -6.828 -2.597 1.00 73.40 N ATOM 464 CA CYS A 29 6.017 -6.446 -1.636 1.00 5.33 C ATOM 465 C CYS A 29 6.622 -5.659 -0.477 1.00 60.13 C ATOM 466 O CYS A 29 6.053 -4.667 -0.024 1.00 11.31 O ATOM 467 CB CYS A 29 5.299 -7.687 -1.105 1.00 54.02 C ATOM 468 SG CYS A 29 4.744 -8.827 -2.395 1.00 0.52 S ATOM 0 H CYS A 29 7.769 -7.441 -2.220 1.00 73.40 H new ATOM 0 HA CYS A 29 5.295 -5.809 -2.148 1.00 5.33 H new ATOM 0 HB2 CYS A 29 5.968 -8.219 -0.428 1.00 54.02 H new ATOM 0 HB3 CYS A 29 4.436 -7.371 -0.518 1.00 54.02 H new ATOM 0 HG CYS A 29 4.151 -9.846 -1.848 1.00 0.52 H new ATOM 474 N ALA A 30 7.778 -6.111 -0.002 1.00 1.51 N ATOM 475 CA ALA A 30 8.460 -5.449 1.104 1.00 40.15 C ATOM 476 C ALA A 30 9.950 -5.774 1.103 1.00 51.01 C ATOM 477 O ALA A 30 10.420 -6.576 0.295 1.00 3.22 O ATOM 478 CB ALA A 30 7.831 -5.852 2.429 1.00 54.21 C ATOM 0 H ALA A 30 8.262 -6.932 -0.365 1.00 1.51 H new ATOM 0 HA ALA A 30 8.349 -4.372 0.975 1.00 40.15 H new ATOM 0 HB1 ALA A 30 8.350 -5.350 3.246 1.00 54.21 H new ATOM 0 HB2 ALA A 30 6.780 -5.563 2.436 1.00 54.21 H new ATOM 0 HB3 ALA A 30 7.912 -6.931 2.557 1.00 54.21 H new ATOM 484 N HIS A 31 10.688 -5.146 2.013 1.00 63.15 N ATOM 485 CA HIS A 31 12.126 -5.369 2.116 1.00 1.14 C ATOM 486 C HIS A 31 12.517 -5.740 3.544 1.00 54.21 C ATOM 487 O HIS A 31 11.670 -5.792 4.436 1.00 74.41 O ATOM 488 CB HIS A 31 12.890 -4.121 1.674 1.00 2.31 C ATOM 489 CG HIS A 31 12.935 -3.045 2.716 1.00 62.53 C ATOM 490 ND1 HIS A 31 14.112 -2.566 3.253 1.00 75.44 N ATOM 491 CD2 HIS A 31 11.939 -2.354 3.318 1.00 25.43 C ATOM 492 CE1 HIS A 31 13.837 -1.628 4.142 1.00 64.54 C ATOM 493 NE2 HIS A 31 12.526 -1.480 4.200 1.00 22.31 N ATOM 0 H HIS A 31 10.315 -4.480 2.689 1.00 63.15 H new ATOM 0 HA HIS A 31 12.388 -6.198 1.459 1.00 1.14 H new ATOM 0 HB2 HIS A 31 13.909 -4.403 1.411 1.00 2.31 H new ATOM 0 HB3 HIS A 31 12.427 -3.722 0.772 1.00 2.31 H new ATOM 0 HD2 HIS A 31 10.880 -2.469 3.138 1.00 25.43 H new ATOM 0 HE1 HIS A 31 14.561 -1.076 4.723 1.00 64.54 H new ATOM 0 HE2 HIS A 31 12.030 -0.823 4.802 1.00 22.31 H new ATOM 501 N TYR A 32 13.803 -5.997 3.752 1.00 1.52 N ATOM 502 CA TYR A 32 14.305 -6.366 5.070 1.00 1.34 C ATOM 503 C TYR A 32 15.755 -5.924 5.245 1.00 51.34 C ATOM 504 O TYR A 32 16.668 -6.507 4.660 1.00 0.10 O ATOM 505 CB TYR A 32 14.193 -7.877 5.277 1.00 33.12 C ATOM 506 CG TYR A 32 14.357 -8.305 6.718 1.00 0.00 C ATOM 507 CD1 TYR A 32 13.273 -8.320 7.587 1.00 61.41 C ATOM 508 CD2 TYR A 32 15.597 -8.695 7.210 1.00 14.02 C ATOM 509 CE1 TYR A 32 13.419 -8.710 8.904 1.00 0.22 C ATOM 510 CE2 TYR A 32 15.752 -9.087 8.526 1.00 74.43 C ATOM 511 CZ TYR A 32 14.660 -9.093 9.369 1.00 40.32 C ATOM 512 OH TYR A 32 14.809 -9.483 10.680 1.00 42.30 O ATOM 0 H TYR A 32 14.517 -5.957 3.025 1.00 1.52 H new ATOM 0 HA TYR A 32 13.696 -5.857 5.817 1.00 1.34 H new ATOM 0 HB2 TYR A 32 13.222 -8.214 4.915 1.00 33.12 H new ATOM 0 HB3 TYR A 32 14.949 -8.375 4.670 1.00 33.12 H new ATOM 0 HD1 TYR A 32 12.300 -8.022 7.227 1.00 61.41 H new ATOM 0 HD2 TYR A 32 16.454 -8.692 6.553 1.00 14.02 H new ATOM 0 HE1 TYR A 32 12.566 -8.715 9.566 1.00 0.22 H new ATOM 0 HE2 TYR A 32 16.723 -9.387 8.893 1.00 74.43 H new ATOM 0 HH TYR A 32 15.745 -9.722 10.846 1.00 42.30 H new ATOM 522 N ASP A 33 15.958 -4.890 6.053 1.00 11.44 N ATOM 523 CA ASP A 33 17.296 -4.369 6.307 1.00 1.25 C ATOM 524 C ASP A 33 17.974 -3.953 5.006 1.00 55.44 C ATOM 525 O ASP A 33 19.198 -3.838 4.940 1.00 73.41 O ATOM 526 CB ASP A 33 18.146 -5.417 7.027 1.00 64.12 C ATOM 527 CG ASP A 33 18.021 -5.329 8.535 1.00 10.51 C ATOM 528 OD1 ASP A 33 18.611 -4.400 9.126 1.00 62.14 O ATOM 529 OD2 ASP A 33 17.333 -6.188 9.125 1.00 23.21 O ATOM 0 H ASP A 33 15.213 -4.396 6.544 1.00 11.44 H new ATOM 0 HA ASP A 33 17.201 -3.489 6.943 1.00 1.25 H new ATOM 0 HB2 ASP A 33 17.846 -6.412 6.698 1.00 64.12 H new ATOM 0 HB3 ASP A 33 19.191 -5.289 6.744 1.00 64.12 H new ATOM 534 N TYR A 34 17.170 -3.728 3.972 1.00 32.31 N ATOM 535 CA TYR A 34 17.692 -3.328 2.671 1.00 72.33 C ATOM 536 C TYR A 34 18.663 -4.373 2.129 1.00 51.33 C ATOM 537 O TYR A 34 19.500 -4.074 1.278 1.00 61.42 O ATOM 538 CB TYR A 34 18.390 -1.971 2.773 1.00 31.10 C ATOM 539 CG TYR A 34 17.552 -0.908 3.447 1.00 32.42 C ATOM 540 CD1 TYR A 34 17.496 -0.814 4.832 1.00 4.02 C ATOM 541 CD2 TYR A 34 16.816 0.002 2.699 1.00 50.14 C ATOM 542 CE1 TYR A 34 16.731 0.155 5.452 1.00 24.11 C ATOM 543 CE2 TYR A 34 16.049 0.975 3.310 1.00 43.30 C ATOM 544 CZ TYR A 34 16.010 1.047 4.687 1.00 51.32 C ATOM 545 OH TYR A 34 15.248 2.015 5.301 1.00 72.24 O ATOM 0 H TYR A 34 16.155 -3.816 4.010 1.00 32.31 H new ATOM 0 HA TYR A 34 16.852 -3.246 1.981 1.00 72.33 H new ATOM 0 HB2 TYR A 34 19.322 -2.092 3.326 1.00 31.10 H new ATOM 0 HB3 TYR A 34 18.655 -1.632 1.772 1.00 31.10 H new ATOM 0 HD1 TYR A 34 18.060 -1.511 5.434 1.00 4.02 H new ATOM 0 HD2 TYR A 34 16.844 -0.052 1.621 1.00 50.14 H new ATOM 0 HE1 TYR A 34 16.698 0.213 6.530 1.00 24.11 H new ATOM 0 HE2 TYR A 34 15.483 1.675 2.713 1.00 43.30 H new ATOM 0 HH TYR A 34 14.804 2.562 4.620 1.00 72.24 H new ATOM 555 N GLU A 35 18.543 -5.599 2.629 1.00 52.34 N ATOM 556 CA GLU A 35 19.410 -6.688 2.195 1.00 11.10 C ATOM 557 C GLU A 35 18.597 -7.804 1.545 1.00 24.33 C ATOM 558 O GLU A 35 19.115 -8.570 0.732 1.00 32.22 O ATOM 559 CB GLU A 35 20.201 -7.242 3.381 1.00 24.43 C ATOM 560 CG GLU A 35 19.456 -7.159 4.703 1.00 60.13 C ATOM 561 CD GLU A 35 20.284 -7.655 5.872 1.00 5.41 C ATOM 562 OE1 GLU A 35 21.523 -7.505 5.828 1.00 43.00 O ATOM 563 OE2 GLU A 35 19.693 -8.192 6.832 1.00 71.12 O ATOM 0 H GLU A 35 17.855 -5.863 3.334 1.00 52.34 H new ATOM 0 HA GLU A 35 20.107 -6.292 1.456 1.00 11.10 H new ATOM 0 HB2 GLU A 35 20.456 -8.283 3.182 1.00 24.43 H new ATOM 0 HB3 GLU A 35 21.140 -6.695 3.468 1.00 24.43 H new ATOM 0 HG2 GLU A 35 19.160 -6.126 4.885 1.00 60.13 H new ATOM 0 HG3 GLU A 35 18.540 -7.746 4.637 1.00 60.13 H new ATOM 570 N TRP A 36 17.323 -7.890 1.910 1.00 4.23 N ATOM 571 CA TRP A 36 16.439 -8.913 1.364 1.00 51.32 C ATOM 572 C TRP A 36 15.139 -8.296 0.860 1.00 11.41 C ATOM 573 O TRP A 36 14.544 -7.447 1.525 1.00 25.25 O ATOM 574 CB TRP A 36 16.137 -9.974 2.423 1.00 64.21 C ATOM 575 CG TRP A 36 17.364 -10.667 2.936 1.00 53.40 C ATOM 576 CD1 TRP A 36 18.056 -10.370 4.075 1.00 32.44 C ATOM 577 CD2 TRP A 36 18.043 -11.770 2.327 1.00 42.44 C ATOM 578 NE1 TRP A 36 19.125 -11.223 4.211 1.00 11.10 N ATOM 579 CE2 TRP A 36 19.139 -12.091 3.152 1.00 73.23 C ATOM 580 CE3 TRP A 36 17.832 -12.518 1.166 1.00 71.23 C ATOM 581 CZ2 TRP A 36 20.018 -13.127 2.850 1.00 24.51 C ATOM 582 CZ3 TRP A 36 18.706 -13.546 0.868 1.00 60.14 C ATOM 583 CH2 TRP A 36 19.788 -13.844 1.707 1.00 13.22 C ATOM 0 H TRP A 36 16.879 -7.264 2.582 1.00 4.23 H new ATOM 0 HA TRP A 36 16.946 -9.384 0.522 1.00 51.32 H new ATOM 0 HB2 TRP A 36 15.617 -9.506 3.258 1.00 64.21 H new ATOM 0 HB3 TRP A 36 15.459 -10.716 2.001 1.00 64.21 H new ATOM 0 HD1 TRP A 36 17.801 -9.581 4.767 1.00 32.44 H new ATOM 0 HE1 TRP A 36 19.799 -11.211 4.977 1.00 11.10 H new ATOM 0 HE3 TRP A 36 17.001 -12.297 0.513 1.00 71.23 H new ATOM 0 HZ2 TRP A 36 20.853 -13.357 3.495 1.00 24.51 H new ATOM 0 HZ3 TRP A 36 18.552 -14.130 -0.027 1.00 60.14 H new ATOM 0 HH2 TRP A 36 20.453 -14.654 1.447 1.00 13.22 H new ATOM 594 N PHE A 37 14.702 -8.727 -0.318 1.00 51.25 N ATOM 595 CA PHE A 37 13.472 -8.215 -0.911 1.00 74.44 C ATOM 596 C PHE A 37 12.452 -9.335 -1.099 1.00 61.14 C ATOM 597 O PHE A 37 12.801 -10.444 -1.505 1.00 34.54 O ATOM 598 CB PHE A 37 13.767 -7.549 -2.256 1.00 44.43 C ATOM 599 CG PHE A 37 13.710 -6.048 -2.207 1.00 64.51 C ATOM 600 CD1 PHE A 37 12.554 -5.399 -1.805 1.00 43.24 C ATOM 601 CD2 PHE A 37 14.813 -5.288 -2.562 1.00 31.02 C ATOM 602 CE1 PHE A 37 12.499 -4.019 -1.760 1.00 0.40 C ATOM 603 CE2 PHE A 37 14.764 -3.907 -2.518 1.00 33.40 C ATOM 604 CZ PHE A 37 13.605 -3.272 -2.115 1.00 44.05 C ATOM 0 H PHE A 37 15.181 -9.430 -0.881 1.00 51.25 H new ATOM 0 HA PHE A 37 13.052 -7.474 -0.231 1.00 74.44 H new ATOM 0 HB2 PHE A 37 14.756 -7.856 -2.595 1.00 44.43 H new ATOM 0 HB3 PHE A 37 13.051 -7.908 -2.995 1.00 44.43 H new ATOM 0 HD1 PHE A 37 11.687 -5.978 -1.524 1.00 43.24 H new ATOM 0 HD2 PHE A 37 15.721 -5.780 -2.877 1.00 31.02 H new ATOM 0 HE1 PHE A 37 11.591 -3.525 -1.447 1.00 0.40 H new ATOM 0 HE2 PHE A 37 15.630 -3.326 -2.798 1.00 33.40 H new ATOM 0 HZ PHE A 37 13.564 -2.193 -2.078 1.00 44.05 H new ATOM 614 N ILE A 38 11.192 -9.036 -0.802 1.00 23.05 N ATOM 615 CA ILE A 38 10.122 -10.016 -0.938 1.00 22.30 C ATOM 616 C ILE A 38 9.441 -9.901 -2.298 1.00 24.34 C ATOM 617 O ILE A 38 8.521 -9.105 -2.477 1.00 12.42 O ATOM 618 CB ILE A 38 9.064 -9.852 0.169 1.00 70.31 C ATOM 619 CG1 ILE A 38 9.741 -9.674 1.530 1.00 71.45 C ATOM 620 CG2 ILE A 38 8.129 -11.052 0.189 1.00 34.14 C ATOM 621 CD1 ILE A 38 10.573 -10.865 1.951 1.00 60.32 C ATOM 0 H ILE A 38 10.887 -8.123 -0.466 1.00 23.05 H new ATOM 0 HA ILE A 38 10.582 -11.000 -0.846 1.00 22.30 H new ATOM 0 HB ILE A 38 8.474 -8.960 -0.041 1.00 70.31 H new ATOM 0 HG12 ILE A 38 10.377 -8.790 1.497 1.00 71.45 H new ATOM 0 HG13 ILE A 38 8.977 -9.489 2.285 1.00 71.45 H new ATOM 0 HG21 ILE A 38 7.387 -10.922 0.976 1.00 34.14 H new ATOM 0 HG22 ILE A 38 7.625 -11.137 -0.774 1.00 34.14 H new ATOM 0 HG23 ILE A 38 8.704 -11.958 0.379 1.00 34.14 H new ATOM 0 HD11 ILE A 38 11.023 -10.669 2.924 1.00 60.32 H new ATOM 0 HD12 ILE A 38 9.937 -11.748 2.016 1.00 60.32 H new ATOM 0 HD13 ILE A 38 11.359 -11.038 1.216 1.00 60.32 H new ATOM 633 N ALA A 39 9.900 -10.704 -3.253 1.00 12.05 N ATOM 634 CA ALA A 39 9.333 -10.695 -4.595 1.00 73.32 C ATOM 635 C ALA A 39 8.552 -11.976 -4.870 1.00 25.41 C ATOM 636 O ALA A 39 8.873 -13.038 -4.335 1.00 63.02 O ATOM 637 CB ALA A 39 10.432 -10.512 -5.631 1.00 72.03 C ATOM 0 H ALA A 39 10.663 -11.368 -3.121 1.00 12.05 H new ATOM 0 HA ALA A 39 8.640 -9.856 -4.664 1.00 73.32 H new ATOM 0 HB1 ALA A 39 9.994 -10.507 -6.629 1.00 72.03 H new ATOM 0 HB2 ALA A 39 10.944 -9.566 -5.455 1.00 72.03 H new ATOM 0 HB3 ALA A 39 11.146 -11.331 -5.552 1.00 72.03 H new ATOM 643 N LYS A 40 7.526 -11.870 -5.706 1.00 74.44 N ATOM 644 CA LYS A 40 6.699 -13.020 -6.053 1.00 72.23 C ATOM 645 C LYS A 40 6.643 -13.214 -7.565 1.00 50.23 C ATOM 646 O LYS A 40 6.879 -12.289 -8.343 1.00 1.11 O ATOM 647 CB LYS A 40 5.284 -12.843 -5.499 1.00 14.44 C ATOM 648 CG LYS A 40 4.753 -11.425 -5.628 1.00 71.41 C ATOM 649 CD LYS A 40 3.291 -11.338 -5.222 1.00 4.12 C ATOM 650 CE LYS A 40 2.598 -10.158 -5.886 1.00 72.41 C ATOM 651 NZ LYS A 40 2.234 -10.453 -7.300 1.00 20.13 N ATOM 0 H LYS A 40 7.246 -10.999 -6.157 1.00 74.44 H new ATOM 0 HA LYS A 40 7.149 -13.907 -5.607 1.00 72.23 H new ATOM 0 HB2 LYS A 40 4.611 -13.523 -6.021 1.00 14.44 H new ATOM 0 HB3 LYS A 40 5.276 -13.131 -4.448 1.00 14.44 H new ATOM 0 HG2 LYS A 40 5.345 -10.756 -5.004 1.00 71.41 H new ATOM 0 HG3 LYS A 40 4.867 -11.085 -6.657 1.00 71.41 H new ATOM 0 HD2 LYS A 40 2.781 -12.262 -5.495 1.00 4.12 H new ATOM 0 HD3 LYS A 40 3.218 -11.242 -4.139 1.00 4.12 H new ATOM 0 HE2 LYS A 40 1.699 -9.902 -5.325 1.00 72.41 H new ATOM 0 HE3 LYS A 40 3.253 -9.287 -5.854 1.00 72.41 H new ATOM 0 HZ1 LYS A 40 1.764 -9.625 -7.718 1.00 20.13 H new ATOM 0 HZ2 LYS A 40 3.094 -10.672 -7.841 1.00 20.13 H new ATOM 0 HZ3 LYS A 40 1.589 -11.268 -7.330 1.00 20.13 H new ATOM 665 N PRO A 41 6.322 -14.444 -7.994 1.00 11.42 N ATOM 666 CA PRO A 41 6.226 -14.786 -9.416 1.00 35.32 C ATOM 667 C PRO A 41 5.025 -14.131 -10.090 1.00 34.52 C ATOM 668 O PRO A 41 4.027 -13.824 -9.438 1.00 14.35 O ATOM 669 CB PRO A 41 6.068 -16.309 -9.404 1.00 14.21 C ATOM 670 CG PRO A 41 5.471 -16.617 -8.074 1.00 61.31 C ATOM 671 CD PRO A 41 6.028 -15.594 -7.123 1.00 73.11 C ATOM 0 HA PRO A 41 7.092 -14.438 -9.979 1.00 35.32 H new ATOM 0 HB2 PRO A 41 5.423 -16.647 -10.215 1.00 14.21 H new ATOM 0 HB3 PRO A 41 7.029 -16.808 -9.532 1.00 14.21 H new ATOM 0 HG2 PRO A 41 4.383 -16.562 -8.113 1.00 61.31 H new ATOM 0 HG3 PRO A 41 5.728 -17.627 -7.755 1.00 61.31 H new ATOM 0 HD2 PRO A 41 5.310 -15.336 -6.345 1.00 73.11 H new ATOM 0 HD3 PRO A 41 6.925 -15.958 -6.621 1.00 73.11 H new ATOM 679 N ILE A 42 5.128 -13.922 -11.398 1.00 13.22 N ATOM 680 CA ILE A 42 4.049 -13.305 -12.159 1.00 52.14 C ATOM 681 C ILE A 42 3.547 -14.238 -13.256 1.00 72.01 C ATOM 682 O ILE A 42 2.527 -13.973 -13.891 1.00 61.44 O ATOM 683 CB ILE A 42 4.498 -11.977 -12.797 1.00 14.32 C ATOM 684 CG1 ILE A 42 5.200 -11.099 -11.759 1.00 23.43 C ATOM 685 CG2 ILE A 42 3.304 -11.246 -13.395 1.00 25.40 C ATOM 686 CD1 ILE A 42 5.723 -9.797 -12.323 1.00 0.23 C ATOM 0 H ILE A 42 5.947 -14.171 -11.953 1.00 13.22 H new ATOM 0 HA ILE A 42 3.240 -13.106 -11.456 1.00 52.14 H new ATOM 0 HB ILE A 42 5.204 -12.196 -13.598 1.00 14.32 H new ATOM 0 HG12 ILE A 42 4.504 -10.881 -10.949 1.00 23.43 H new ATOM 0 HG13 ILE A 42 6.030 -11.657 -11.325 1.00 23.43 H new ATOM 0 HG21 ILE A 42 3.637 -10.309 -13.842 1.00 25.40 H new ATOM 0 HG22 ILE A 42 2.842 -11.869 -14.161 1.00 25.40 H new ATOM 0 HG23 ILE A 42 2.577 -11.035 -12.611 1.00 25.40 H new ATOM 0 HD11 ILE A 42 6.208 -9.226 -11.531 1.00 0.23 H new ATOM 0 HD12 ILE A 42 6.444 -10.006 -13.113 1.00 0.23 H new ATOM 0 HD13 ILE A 42 4.894 -9.219 -12.732 1.00 0.23 H new ATOM 769 N PRO A 47 4.361 -15.509 -2.099 1.00 14.11 N ATOM 770 CA PRO A 47 5.370 -14.701 -1.409 1.00 43.40 C ATOM 771 C PRO A 47 6.697 -15.437 -1.256 1.00 12.20 C ATOM 772 O PRO A 47 6.783 -16.440 -0.549 1.00 3.21 O ATOM 773 CB PRO A 47 4.741 -14.442 -0.038 1.00 1.32 C ATOM 774 CG PRO A 47 3.799 -15.578 0.167 1.00 1.52 C ATOM 775 CD PRO A 47 3.277 -15.934 -1.197 1.00 52.31 C ATOM 0 HA PRO A 47 5.611 -13.792 -1.961 1.00 43.40 H new ATOM 0 HB2 PRO A 47 5.498 -14.409 0.745 1.00 1.32 H new ATOM 0 HB3 PRO A 47 4.219 -13.486 -0.016 1.00 1.32 H new ATOM 0 HG2 PRO A 47 4.306 -16.427 0.625 1.00 1.52 H new ATOM 0 HG3 PRO A 47 2.985 -15.295 0.835 1.00 1.52 H new ATOM 0 HD2 PRO A 47 3.077 -17.002 -1.285 1.00 52.31 H new ATOM 0 HD3 PRO A 47 2.344 -15.416 -1.418 1.00 52.31 H new ATOM 783 N GLY A 48 7.730 -14.931 -1.924 1.00 33.43 N ATOM 784 CA GLY A 48 9.038 -15.554 -1.848 1.00 4.00 C ATOM 785 C GLY A 48 10.103 -14.605 -1.335 1.00 1.11 C ATOM 786 O GLY A 48 9.905 -13.389 -1.315 1.00 34.43 O ATOM 0 H GLY A 48 7.684 -14.101 -2.516 1.00 33.43 H new ATOM 0 HA2 GLY A 48 8.985 -16.424 -1.194 1.00 4.00 H new ATOM 0 HA3 GLY A 48 9.323 -15.915 -2.836 1.00 4.00 H new ATOM 790 N LEU A 49 11.236 -15.159 -0.917 1.00 72.34 N ATOM 791 CA LEU A 49 12.336 -14.354 -0.400 1.00 5.24 C ATOM 792 C LEU A 49 13.504 -14.333 -1.381 1.00 3.15 C ATOM 793 O LEU A 49 14.015 -15.381 -1.777 1.00 55.22 O ATOM 794 CB LEU A 49 12.801 -14.898 0.952 1.00 32.24 C ATOM 795 CG LEU A 49 13.251 -13.856 1.977 1.00 63.03 C ATOM 796 CD1 LEU A 49 13.139 -14.411 3.388 1.00 73.30 C ATOM 797 CD2 LEU A 49 14.677 -13.408 1.690 1.00 0.00 C ATOM 0 H LEU A 49 11.416 -16.163 -0.926 1.00 72.34 H new ATOM 0 HA LEU A 49 11.976 -13.333 -0.270 1.00 5.24 H new ATOM 0 HB2 LEU A 49 11.987 -15.478 1.387 1.00 32.24 H new ATOM 0 HB3 LEU A 49 13.627 -15.588 0.779 1.00 32.24 H new ATOM 0 HG LEU A 49 12.595 -12.989 1.897 1.00 63.03 H new ATOM 0 HD11 LEU A 49 13.464 -13.655 4.103 1.00 73.30 H new ATOM 0 HD12 LEU A 49 12.103 -14.682 3.591 1.00 73.30 H new ATOM 0 HD13 LEU A 49 13.770 -15.295 3.483 1.00 73.30 H new ATOM 0 HD21 LEU A 49 14.981 -12.667 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.346 -14.267 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.727 -12.969 0.694 1.00 0.00 H new ATOM 809 N VAL A 50 13.925 -13.132 -1.767 1.00 33.51 N ATOM 810 CA VAL A 50 15.035 -12.974 -2.699 1.00 32.53 C ATOM 811 C VAL A 50 15.887 -11.763 -2.338 1.00 24.35 C ATOM 812 O VAL A 50 15.381 -10.673 -2.073 1.00 53.23 O ATOM 813 CB VAL A 50 14.534 -12.823 -4.147 1.00 43.44 C ATOM 814 CG1 VAL A 50 13.594 -11.633 -4.266 1.00 11.03 C ATOM 815 CG2 VAL A 50 15.708 -12.682 -5.104 1.00 45.33 C ATOM 0 H VAL A 50 13.514 -12.255 -1.448 1.00 33.51 H new ATOM 0 HA VAL A 50 15.642 -13.876 -2.625 1.00 32.53 H new ATOM 0 HB VAL A 50 13.980 -13.722 -4.417 1.00 43.44 H new ATOM 0 HG11 VAL A 50 13.250 -11.542 -5.296 1.00 11.03 H new ATOM 0 HG12 VAL A 50 12.737 -11.779 -3.609 1.00 11.03 H new ATOM 0 HG13 VAL A 50 14.121 -10.723 -3.978 1.00 11.03 H new ATOM 0 HG21 VAL A 50 15.336 -12.576 -6.123 1.00 45.33 H new ATOM 0 HG22 VAL A 50 16.291 -11.801 -4.837 1.00 45.33 H new ATOM 0 HG23 VAL A 50 16.339 -13.568 -5.038 1.00 45.33 H new ATOM 825 N PRO A 51 17.215 -11.956 -2.326 1.00 33.43 N ATOM 826 CA PRO A 51 18.167 -10.891 -1.999 1.00 52.44 C ATOM 827 C PRO A 51 18.233 -9.821 -3.084 1.00 45.10 C ATOM 828 O PRO A 51 17.977 -10.094 -4.257 1.00 30.54 O ATOM 829 CB PRO A 51 19.503 -11.629 -1.894 1.00 24.11 C ATOM 830 CG PRO A 51 19.336 -12.840 -2.746 1.00 13.41 C ATOM 831 CD PRO A 51 17.888 -13.230 -2.630 1.00 42.05 C ATOM 0 HA PRO A 51 17.887 -10.358 -1.090 1.00 52.44 H new ATOM 0 HB2 PRO A 51 20.327 -11.008 -2.246 1.00 24.11 H new ATOM 0 HB3 PRO A 51 19.726 -11.899 -0.862 1.00 24.11 H new ATOM 0 HG2 PRO A 51 19.602 -12.628 -3.782 1.00 13.41 H new ATOM 0 HG3 PRO A 51 19.986 -13.647 -2.409 1.00 13.41 H new ATOM 0 HD2 PRO A 51 17.515 -13.671 -3.555 1.00 42.05 H new ATOM 0 HD3 PRO A 51 17.732 -13.965 -1.841 1.00 42.05 H new ATOM 839 N VAL A 52 18.580 -8.601 -2.685 1.00 60.13 N ATOM 840 CA VAL A 52 18.682 -7.490 -3.624 1.00 20.11 C ATOM 841 C VAL A 52 19.801 -7.724 -4.633 1.00 12.02 C ATOM 842 O VAL A 52 19.815 -7.126 -5.709 1.00 23.22 O ATOM 843 CB VAL A 52 18.936 -6.159 -2.892 1.00 54.43 C ATOM 844 CG1 VAL A 52 18.760 -4.985 -3.843 1.00 54.43 C ATOM 845 CG2 VAL A 52 18.011 -6.026 -1.692 1.00 34.31 C ATOM 0 H VAL A 52 18.795 -8.357 -1.718 1.00 60.13 H new ATOM 0 HA VAL A 52 17.729 -7.431 -4.150 1.00 20.11 H new ATOM 0 HB VAL A 52 19.965 -6.153 -2.531 1.00 54.43 H new ATOM 0 HG11 VAL A 52 18.943 -4.053 -3.308 1.00 54.43 H new ATOM 0 HG12 VAL A 52 19.467 -5.076 -4.668 1.00 54.43 H new ATOM 0 HG13 VAL A 52 17.743 -4.984 -4.236 1.00 54.43 H new ATOM 0 HG21 VAL A 52 18.204 -5.080 -1.187 1.00 34.31 H new ATOM 0 HG22 VAL A 52 16.974 -6.053 -2.027 1.00 34.31 H new ATOM 0 HG23 VAL A 52 18.191 -6.850 -1.001 1.00 34.31 H new ATOM 855 N SER A 53 20.737 -8.598 -4.278 1.00 30.21 N ATOM 856 CA SER A 53 21.863 -8.909 -5.151 1.00 74.41 C ATOM 857 C SER A 53 21.449 -9.893 -6.241 1.00 73.14 C ATOM 858 O SER A 53 22.261 -10.288 -7.078 1.00 2.00 O ATOM 859 CB SER A 53 23.021 -9.490 -4.338 1.00 1.03 C ATOM 860 OG SER A 53 23.313 -8.677 -3.214 1.00 43.05 O ATOM 0 H SER A 53 20.738 -9.103 -3.392 1.00 30.21 H new ATOM 0 HA SER A 53 22.190 -7.983 -5.625 1.00 74.41 H new ATOM 0 HB2 SER A 53 22.768 -10.497 -4.007 1.00 1.03 H new ATOM 0 HB3 SER A 53 23.906 -9.575 -4.969 1.00 1.03 H new ATOM 0 HG SER A 53 24.055 -9.071 -2.710 1.00 43.05 H new ATOM 866 N TYR A 54 20.179 -10.285 -6.225 1.00 45.51 N ATOM 867 CA TYR A 54 19.657 -11.224 -7.210 1.00 54.11 C ATOM 868 C TYR A 54 18.403 -10.670 -7.880 1.00 11.43 C ATOM 869 O TYR A 54 17.623 -11.412 -8.476 1.00 20.41 O ATOM 870 CB TYR A 54 19.344 -12.567 -6.549 1.00 34.23 C ATOM 871 CG TYR A 54 20.563 -13.435 -6.334 1.00 72.20 C ATOM 872 CD1 TYR A 54 21.502 -13.119 -5.360 1.00 43.43 C ATOM 873 CD2 TYR A 54 20.776 -14.571 -7.105 1.00 41.02 C ATOM 874 CE1 TYR A 54 22.618 -13.908 -5.161 1.00 22.31 C ATOM 875 CE2 TYR A 54 21.888 -15.367 -6.912 1.00 23.22 C ATOM 876 CZ TYR A 54 22.806 -15.032 -5.939 1.00 5.42 C ATOM 877 OH TYR A 54 23.916 -15.821 -5.744 1.00 64.40 O ATOM 0 H TYR A 54 19.493 -9.967 -5.541 1.00 45.51 H new ATOM 0 HA TYR A 54 20.420 -11.371 -7.974 1.00 54.11 H new ATOM 0 HB2 TYR A 54 18.863 -12.386 -5.588 1.00 34.23 H new ATOM 0 HB3 TYR A 54 18.627 -13.108 -7.167 1.00 34.23 H new ATOM 0 HD1 TYR A 54 21.357 -12.241 -4.748 1.00 43.43 H new ATOM 0 HD2 TYR A 54 20.060 -14.836 -7.868 1.00 41.02 H new ATOM 0 HE1 TYR A 54 23.339 -13.647 -4.401 1.00 22.31 H new ATOM 0 HE2 TYR A 54 22.038 -16.247 -7.520 1.00 23.22 H new ATOM 0 HH TYR A 54 23.897 -16.573 -6.372 1.00 64.40 H new ATOM 887 N VAL A 55 18.216 -9.357 -7.777 1.00 61.41 N ATOM 888 CA VAL A 55 17.059 -8.701 -8.374 1.00 31.04 C ATOM 889 C VAL A 55 17.374 -7.254 -8.735 1.00 14.32 C ATOM 890 O VAL A 55 18.322 -6.665 -8.214 1.00 74.43 O ATOM 891 CB VAL A 55 15.846 -8.730 -7.424 1.00 43.34 C ATOM 892 CG1 VAL A 55 15.333 -10.152 -7.256 1.00 50.33 C ATOM 893 CG2 VAL A 55 16.210 -8.123 -6.078 1.00 11.33 C ATOM 0 H VAL A 55 18.851 -8.728 -7.286 1.00 61.41 H new ATOM 0 HA VAL A 55 16.814 -9.253 -9.281 1.00 31.04 H new ATOM 0 HB VAL A 55 15.048 -8.131 -7.863 1.00 43.34 H new ATOM 0 HG11 VAL A 55 14.476 -10.153 -6.582 1.00 50.33 H new ATOM 0 HG12 VAL A 55 15.031 -10.547 -8.226 1.00 50.33 H new ATOM 0 HG13 VAL A 55 16.123 -10.777 -6.839 1.00 50.33 H new ATOM 0 HG21 VAL A 55 15.342 -8.151 -5.419 1.00 11.33 H new ATOM 0 HG22 VAL A 55 17.024 -8.693 -5.630 1.00 11.33 H new ATOM 0 HG23 VAL A 55 16.525 -7.089 -6.218 1.00 11.33 H new ATOM 903 N ARG A 56 16.572 -6.685 -9.629 1.00 72.12 N ATOM 904 CA ARG A 56 16.765 -5.306 -10.061 1.00 21.01 C ATOM 905 C ARG A 56 15.503 -4.481 -9.827 1.00 21.04 C ATOM 906 O ARG A 56 14.407 -4.879 -10.223 1.00 43.23 O ATOM 907 CB ARG A 56 17.149 -5.262 -11.541 1.00 52.32 C ATOM 908 CG ARG A 56 17.023 -3.880 -12.162 1.00 35.01 C ATOM 909 CD ARG A 56 17.739 -3.803 -13.501 1.00 60.30 C ATOM 910 NE ARG A 56 17.300 -4.852 -14.417 1.00 64.54 N ATOM 911 CZ ARG A 56 17.447 -4.785 -15.736 1.00 13.01 C ATOM 912 NH1 ARG A 56 18.018 -3.724 -16.289 1.00 74.15 N ATOM 913 NH2 ARG A 56 17.022 -5.780 -16.504 1.00 31.44 N ATOM 0 H ARG A 56 15.782 -7.158 -10.068 1.00 72.12 H new ATOM 0 HA ARG A 56 17.574 -4.876 -9.470 1.00 21.01 H new ATOM 0 HB2 ARG A 56 18.177 -5.608 -11.652 1.00 52.32 H new ATOM 0 HB3 ARG A 56 16.517 -5.958 -12.093 1.00 52.32 H new ATOM 0 HG2 ARG A 56 15.969 -3.635 -12.297 1.00 35.01 H new ATOM 0 HG3 ARG A 56 17.438 -3.136 -11.483 1.00 35.01 H new ATOM 0 HD2 ARG A 56 17.558 -2.828 -13.953 1.00 60.30 H new ATOM 0 HD3 ARG A 56 18.814 -3.887 -13.343 1.00 60.30 H new ATOM 0 HE ARG A 56 16.856 -5.682 -14.023 1.00 64.54 H new ATOM 0 HH11 ARG A 56 18.346 -2.957 -15.702 1.00 74.15 H new ATOM 0 HH12 ARG A 56 18.130 -3.675 -17.302 1.00 74.15 H new ATOM 0 HH21 ARG A 56 16.582 -6.598 -16.082 1.00 31.44 H new ATOM 0 HH22 ARG A 56 17.135 -5.727 -17.516 1.00 31.44 H new ATOM 927 N ILE A 57 15.665 -3.332 -9.180 1.00 4.31 N ATOM 928 CA ILE A 57 14.540 -2.451 -8.894 1.00 33.24 C ATOM 929 C ILE A 57 14.197 -1.586 -10.102 1.00 22.22 C ATOM 930 O ILE A 57 14.969 -0.707 -10.487 1.00 72.43 O ATOM 931 CB ILE A 57 14.832 -1.538 -7.689 1.00 13.34 C ATOM 932 CG1 ILE A 57 15.140 -2.377 -6.447 1.00 61.32 C ATOM 933 CG2 ILE A 57 13.654 -0.611 -7.429 1.00 15.04 C ATOM 934 CD1 ILE A 57 13.974 -3.222 -5.984 1.00 72.01 C ATOM 0 H ILE A 57 16.565 -2.989 -8.844 1.00 4.31 H new ATOM 0 HA ILE A 57 13.691 -3.092 -8.657 1.00 33.24 H new ATOM 0 HB ILE A 57 15.706 -0.928 -7.918 1.00 13.34 H new ATOM 0 HG12 ILE A 57 15.988 -3.028 -6.659 1.00 61.32 H new ATOM 0 HG13 ILE A 57 15.442 -1.714 -5.636 1.00 61.32 H new ATOM 0 HG21 ILE A 57 13.876 0.028 -6.574 1.00 15.04 H new ATOM 0 HG22 ILE A 57 13.477 0.008 -8.309 1.00 15.04 H new ATOM 0 HG23 ILE A 57 12.764 -1.204 -7.218 1.00 15.04 H new ATOM 0 HD11 ILE A 57 14.264 -3.790 -5.100 1.00 72.01 H new ATOM 0 HD12 ILE A 57 13.131 -2.576 -5.740 1.00 72.01 H new ATOM 0 HD13 ILE A 57 13.685 -3.910 -6.778 1.00 72.01 H new ATOM 946 N ILE A 58 13.035 -1.840 -10.694 1.00 21.11 N ATOM 947 CA ILE A 58 12.589 -1.083 -11.857 1.00 1.54 C ATOM 948 C ILE A 58 11.163 -0.576 -11.669 1.00 1.04 C ATOM 949 O ILE A 58 10.549 -0.794 -10.624 1.00 53.42 O ATOM 950 CB ILE A 58 12.656 -1.931 -13.140 1.00 54.45 C ATOM 951 CG1 ILE A 58 11.994 -3.291 -12.914 1.00 34.21 C ATOM 952 CG2 ILE A 58 14.100 -2.106 -13.585 1.00 51.33 C ATOM 953 CD1 ILE A 58 11.674 -4.029 -14.195 1.00 40.44 C ATOM 0 H ILE A 58 12.385 -2.564 -10.387 1.00 21.11 H new ATOM 0 HA ILE A 58 13.264 -0.233 -11.958 1.00 1.54 H new ATOM 0 HB ILE A 58 12.114 -1.411 -13.930 1.00 54.45 H new ATOM 0 HG12 ILE A 58 12.652 -3.909 -12.303 1.00 34.21 H new ATOM 0 HG13 ILE A 58 11.074 -3.148 -12.347 1.00 34.21 H new ATOM 0 HG21 ILE A 58 14.130 -2.708 -14.493 1.00 51.33 H new ATOM 0 HG22 ILE A 58 14.541 -1.129 -13.782 1.00 51.33 H new ATOM 0 HG23 ILE A 58 14.665 -2.607 -12.799 1.00 51.33 H new ATOM 0 HD11 ILE A 58 11.207 -4.985 -13.957 1.00 40.44 H new ATOM 0 HD12 ILE A 58 10.991 -3.431 -14.798 1.00 40.44 H new ATOM 0 HD13 ILE A 58 12.594 -4.204 -14.754 1.00 40.44 H new ATOM 965 N ASP A 59 10.642 0.099 -12.687 1.00 41.12 N ATOM 966 CA ASP A 59 9.287 0.635 -12.636 1.00 74.41 C ATOM 967 C ASP A 59 8.494 0.225 -13.873 1.00 54.23 C ATOM 968 O ASP A 59 8.955 0.394 -15.003 1.00 75.31 O ATOM 969 CB ASP A 59 9.322 2.159 -12.519 1.00 13.11 C ATOM 970 CG ASP A 59 7.976 2.741 -12.135 1.00 54.53 C ATOM 971 OD1 ASP A 59 6.945 2.194 -12.579 1.00 53.30 O ATOM 972 OD2 ASP A 59 7.953 3.745 -11.392 1.00 11.00 O ATOM 0 H ASP A 59 11.138 0.288 -13.558 1.00 41.12 H new ATOM 0 HA ASP A 59 8.793 0.223 -11.756 1.00 74.41 H new ATOM 0 HB2 ASP A 59 10.065 2.446 -11.775 1.00 13.11 H new ATOM 0 HB3 ASP A 59 9.642 2.586 -13.469 1.00 13.11 H new ATOM 977 N LEU A 60 7.300 -0.314 -13.653 1.00 12.12 N ATOM 978 CA LEU A 60 6.442 -0.749 -14.750 1.00 2.21 C ATOM 979 C LEU A 60 6.199 0.390 -15.735 1.00 61.23 C ATOM 980 O LEU A 60 5.938 0.157 -16.915 1.00 42.32 O ATOM 981 CB LEU A 60 5.107 -1.262 -14.207 1.00 64.51 C ATOM 982 CG LEU A 60 5.060 -2.745 -13.836 1.00 12.03 C ATOM 983 CD1 LEU A 60 3.701 -3.107 -13.257 1.00 13.21 C ATOM 984 CD2 LEU A 60 5.372 -3.609 -15.049 1.00 21.02 C ATOM 0 H LEU A 60 6.904 -0.460 -12.725 1.00 12.12 H new ATOM 0 HA LEU A 60 6.948 -1.558 -15.276 1.00 2.21 H new ATOM 0 HB2 LEU A 60 4.848 -0.678 -13.323 1.00 64.51 H new ATOM 0 HB3 LEU A 60 4.336 -1.070 -14.953 1.00 64.51 H new ATOM 0 HG LEU A 60 5.818 -2.934 -13.076 1.00 12.03 H new ATOM 0 HD11 LEU A 60 3.686 -4.166 -12.999 1.00 13.21 H new ATOM 0 HD12 LEU A 60 3.517 -2.513 -12.362 1.00 13.21 H new ATOM 0 HD13 LEU A 60 2.925 -2.902 -13.995 1.00 13.21 H new ATOM 0 HD21 LEU A 60 5.334 -4.661 -14.766 1.00 21.02 H new ATOM 0 HD22 LEU A 60 4.638 -3.417 -15.831 1.00 21.02 H new ATOM 0 HD23 LEU A 60 6.368 -3.369 -15.420 1.00 21.02 H new ATOM 996 N MET A 61 6.289 1.621 -15.243 1.00 33.12 N ATOM 997 CA MET A 61 6.082 2.796 -16.081 1.00 72.04 C ATOM 998 C MET A 61 7.401 3.279 -16.675 1.00 42.22 C ATOM 999 O MET A 61 7.432 3.833 -17.774 1.00 41.22 O ATOM 1000 CB MET A 61 5.432 3.919 -15.271 1.00 40.21 C ATOM 1001 CG MET A 61 3.985 3.641 -14.899 1.00 12.03 C ATOM 1002 SD MET A 61 3.825 2.804 -13.310 1.00 20.03 S ATOM 1003 CE MET A 61 3.038 1.275 -13.810 1.00 72.11 C ATOM 0 H MET A 61 6.504 1.831 -14.268 1.00 33.12 H new ATOM 0 HA MET A 61 5.417 2.516 -16.898 1.00 72.04 H new ATOM 0 HB2 MET A 61 6.008 4.079 -14.360 1.00 40.21 H new ATOM 0 HB3 MET A 61 5.480 4.844 -15.845 1.00 40.21 H new ATOM 0 HG2 MET A 61 3.435 4.582 -14.867 1.00 12.03 H new ATOM 0 HG3 MET A 61 3.525 3.029 -15.675 1.00 12.03 H new ATOM 0 HE1 MET A 61 3.142 0.535 -13.016 1.00 72.11 H new ATOM 0 HE2 MET A 61 1.980 1.456 -14.001 1.00 72.11 H new ATOM 0 HE3 MET A 61 3.512 0.902 -14.718 1.00 72.11 H new ATOM 1013 N ASP A 62 8.488 3.066 -15.942 1.00 0.34 N ATOM 1014 CA ASP A 62 9.811 3.480 -16.396 1.00 75.45 C ATOM 1015 C ASP A 62 10.862 2.436 -16.031 1.00 54.02 C ATOM 1016 O ASP A 62 11.668 2.624 -15.120 1.00 34.33 O ATOM 1017 CB ASP A 62 10.183 4.832 -15.787 1.00 23.01 C ATOM 1018 CG ASP A 62 8.995 5.768 -15.684 1.00 42.14 C ATOM 1019 OD1 ASP A 62 8.149 5.558 -14.790 1.00 72.53 O ATOM 1020 OD2 ASP A 62 8.912 6.712 -16.498 1.00 21.22 O ATOM 0 H ASP A 62 8.479 2.609 -15.030 1.00 0.34 H new ATOM 0 HA ASP A 62 9.782 3.576 -17.481 1.00 75.45 H new ATOM 0 HB2 ASP A 62 10.606 4.676 -14.795 1.00 23.01 H new ATOM 0 HB3 ASP A 62 10.958 5.299 -16.394 1.00 23.01 H new ATOM 1025 N PRO A 63 10.854 1.309 -16.758 1.00 32.53 N ATOM 1026 CA PRO A 63 11.800 0.212 -16.528 1.00 52.42 C ATOM 1027 C PRO A 63 13.223 0.580 -16.934 1.00 11.31 C ATOM 1028 O PRO A 63 14.177 -0.113 -16.583 1.00 2.44 O ATOM 1029 CB PRO A 63 11.263 -0.911 -17.418 1.00 64.35 C ATOM 1030 CG PRO A 63 10.507 -0.213 -18.496 1.00 4.04 C ATOM 1031 CD PRO A 63 9.921 1.017 -17.860 1.00 5.24 C ATOM 0 HA PRO A 63 11.866 -0.056 -15.474 1.00 52.42 H new ATOM 0 HB2 PRO A 63 12.074 -1.512 -17.829 1.00 64.35 H new ATOM 0 HB3 PRO A 63 10.618 -1.587 -16.856 1.00 64.35 H new ATOM 0 HG2 PRO A 63 11.164 0.051 -19.325 1.00 4.04 H new ATOM 0 HG3 PRO A 63 9.724 -0.854 -18.901 1.00 4.04 H new ATOM 0 HD2 PRO A 63 9.862 1.845 -18.566 1.00 5.24 H new ATOM 0 HD3 PRO A 63 8.910 0.837 -17.494 1.00 5.24 H new ATOM 1039 N ALA A 64 13.358 1.675 -17.675 1.00 54.12 N ATOM 1040 CA ALA A 64 14.665 2.136 -18.126 1.00 52.04 C ATOM 1041 C ALA A 64 15.213 3.220 -17.205 1.00 12.33 C ATOM 1042 O ALA A 64 16.404 3.530 -17.232 1.00 61.33 O ATOM 1043 CB ALA A 64 14.579 2.650 -19.556 1.00 33.21 C ATOM 0 H ALA A 64 12.578 2.259 -17.976 1.00 54.12 H new ATOM 0 HA ALA A 64 15.351 1.290 -18.096 1.00 52.04 H new ATOM 0 HB1 ALA A 64 15.562 2.991 -19.880 1.00 33.21 H new ATOM 0 HB2 ALA A 64 14.239 1.848 -20.211 1.00 33.21 H new ATOM 0 HB3 ALA A 64 13.874 3.480 -19.603 1.00 33.21 H new ATOM 1049 N LYS A 65 14.336 3.796 -16.389 1.00 32.51 N ATOM 1050 CA LYS A 65 14.731 4.846 -15.458 1.00 20.55 C ATOM 1051 C LYS A 65 15.510 4.265 -14.281 1.00 73.25 C ATOM 1052 O LYS A 65 16.608 4.723 -13.965 1.00 12.02 O ATOM 1053 CB LYS A 65 13.497 5.593 -14.947 1.00 4.33 C ATOM 1054 CG LYS A 65 13.811 6.967 -14.379 1.00 33.33 C ATOM 1055 CD LYS A 65 12.654 7.506 -13.553 1.00 63.15 C ATOM 1056 CE LYS A 65 11.448 7.823 -14.424 1.00 61.53 C ATOM 1057 NZ LYS A 65 10.712 9.022 -13.938 1.00 3.33 N ATOM 0 H LYS A 65 13.346 3.553 -16.354 1.00 32.51 H new ATOM 0 HA LYS A 65 15.377 5.544 -15.990 1.00 20.55 H new ATOM 0 HB2 LYS A 65 12.784 5.701 -15.764 1.00 4.33 H new ATOM 0 HB3 LYS A 65 13.012 4.993 -14.177 1.00 4.33 H new ATOM 0 HG2 LYS A 65 14.706 6.910 -13.760 1.00 33.33 H new ATOM 0 HG3 LYS A 65 14.030 7.657 -15.194 1.00 33.33 H new ATOM 0 HD2 LYS A 65 12.375 6.774 -12.795 1.00 63.15 H new ATOM 0 HD3 LYS A 65 12.970 8.406 -13.026 1.00 63.15 H new ATOM 0 HE2 LYS A 65 11.775 7.989 -15.450 1.00 61.53 H new ATOM 0 HE3 LYS A 65 10.775 6.965 -14.439 1.00 61.53 H new ATOM 0 HZ1 LYS A 65 9.897 9.204 -14.558 1.00 3.33 H new ATOM 0 HZ2 LYS A 65 10.377 8.854 -12.968 1.00 3.33 H new ATOM 0 HZ3 LYS A 65 11.346 9.846 -13.948 1.00 3.33 H new ATOM 1071 N TYR A 66 14.935 3.254 -13.639 1.00 64.11 N ATOM 1072 CA TYR A 66 15.576 2.611 -12.497 1.00 54.45 C ATOM 1073 C TYR A 66 16.348 1.370 -12.933 1.00 41.15 C ATOM 1074 O TYR A 66 16.598 0.468 -12.134 1.00 52.33 O ATOM 1075 CB TYR A 66 14.531 2.232 -11.447 1.00 14.53 C ATOM 1076 CG TYR A 66 13.946 3.421 -10.718 1.00 0.31 C ATOM 1077 CD1 TYR A 66 12.936 4.184 -11.291 1.00 34.10 C ATOM 1078 CD2 TYR A 66 14.404 3.783 -9.457 1.00 64.42 C ATOM 1079 CE1 TYR A 66 12.399 5.271 -10.629 1.00 52.43 C ATOM 1080 CE2 TYR A 66 13.873 4.867 -8.788 1.00 14.54 C ATOM 1081 CZ TYR A 66 12.870 5.609 -9.378 1.00 22.23 C ATOM 1082 OH TYR A 66 12.339 6.691 -8.715 1.00 12.15 O ATOM 0 H TYR A 66 14.027 2.862 -13.889 1.00 64.11 H new ATOM 0 HA TYR A 66 16.280 3.320 -12.061 1.00 54.45 H new ATOM 0 HB2 TYR A 66 13.725 1.681 -11.931 1.00 14.53 H new ATOM 0 HB3 TYR A 66 14.986 1.559 -10.720 1.00 14.53 H new ATOM 0 HD1 TYR A 66 12.564 3.923 -12.271 1.00 34.10 H new ATOM 0 HD2 TYR A 66 15.190 3.206 -8.992 1.00 64.42 H new ATOM 0 HE1 TYR A 66 11.614 5.853 -11.089 1.00 52.43 H new ATOM 0 HE2 TYR A 66 14.240 5.133 -7.808 1.00 14.54 H new ATOM 0 HH TYR A 66 11.749 6.378 -7.998 1.00 12.15 H new ATOM 1092 N ALA A 67 16.724 1.333 -14.208 1.00 21.54 N ATOM 1093 CA ALA A 67 17.470 0.204 -14.751 1.00 4.52 C ATOM 1094 C ALA A 67 18.970 0.389 -14.547 1.00 3.30 C ATOM 1095 O ALA A 67 19.738 -0.570 -14.615 1.00 25.23 O ATOM 1096 CB ALA A 67 17.155 0.025 -16.228 1.00 52.24 C ATOM 0 H ALA A 67 16.524 2.071 -14.883 1.00 21.54 H new ATOM 0 HA ALA A 67 17.164 -0.694 -14.214 1.00 4.52 H new ATOM 0 HB1 ALA A 67 17.719 -0.821 -16.620 1.00 52.24 H new ATOM 0 HB2 ALA A 67 16.088 -0.161 -16.353 1.00 52.24 H new ATOM 0 HB3 ALA A 67 17.432 0.929 -16.771 1.00 52.24 H new ATOM 1102 N SER A 68 19.381 1.629 -14.298 1.00 33.32 N ATOM 1103 CA SER A 68 20.790 1.940 -14.089 1.00 31.24 C ATOM 1104 C SER A 68 21.124 1.970 -12.600 1.00 64.04 C ATOM 1105 O SER A 68 22.283 1.827 -12.210 1.00 21.03 O ATOM 1106 CB SER A 68 21.137 3.285 -14.728 1.00 43.44 C ATOM 1107 OG SER A 68 20.119 4.241 -14.490 1.00 51.52 O ATOM 0 H SER A 68 18.758 2.434 -14.236 1.00 33.32 H new ATOM 0 HA SER A 68 21.384 1.158 -14.562 1.00 31.24 H new ATOM 0 HB2 SER A 68 22.083 3.649 -14.326 1.00 43.44 H new ATOM 0 HB3 SER A 68 21.275 3.156 -15.801 1.00 43.44 H new ATOM 0 HG SER A 68 20.366 5.093 -14.907 1.00 51.52 H new ATOM 1113 N VAL A 69 20.100 2.157 -11.774 1.00 5.43 N ATOM 1114 CA VAL A 69 20.284 2.206 -10.328 1.00 71.41 C ATOM 1115 C VAL A 69 21.069 0.996 -9.833 1.00 41.12 C ATOM 1116 O VAL A 69 20.938 -0.104 -10.370 1.00 30.11 O ATOM 1117 CB VAL A 69 18.932 2.262 -9.592 1.00 51.24 C ATOM 1118 CG1 VAL A 69 18.179 0.951 -9.757 1.00 20.23 C ATOM 1119 CG2 VAL A 69 19.140 2.586 -8.121 1.00 12.42 C ATOM 0 H VAL A 69 19.135 2.277 -12.081 1.00 5.43 H new ATOM 0 HA VAL A 69 20.846 3.114 -10.111 1.00 71.41 H new ATOM 0 HB VAL A 69 18.330 3.056 -10.034 1.00 51.24 H new ATOM 0 HG11 VAL A 69 17.227 1.010 -9.230 1.00 20.23 H new ATOM 0 HG12 VAL A 69 17.997 0.767 -10.816 1.00 20.23 H new ATOM 0 HG13 VAL A 69 18.773 0.136 -9.343 1.00 20.23 H new ATOM 0 HG21 VAL A 69 18.175 2.622 -7.616 1.00 12.42 H new ATOM 0 HG22 VAL A 69 19.761 1.816 -7.663 1.00 12.42 H new ATOM 0 HG23 VAL A 69 19.634 3.553 -8.028 1.00 12.42 H new ATOM 1129 N ASP A 70 21.885 1.207 -8.806 1.00 51.43 N ATOM 1130 CA ASP A 70 22.691 0.134 -8.237 1.00 20.12 C ATOM 1131 C ASP A 70 21.991 -0.492 -7.035 1.00 20.23 C ATOM 1132 O ASP A 70 21.927 0.104 -5.959 1.00 51.21 O ATOM 1133 CB ASP A 70 24.065 0.663 -7.824 1.00 2.32 C ATOM 1134 CG ASP A 70 25.191 -0.265 -8.235 1.00 71.05 C ATOM 1135 OD1 ASP A 70 25.371 -0.475 -9.453 1.00 42.51 O ATOM 1136 OD2 ASP A 70 25.891 -0.783 -7.340 1.00 41.30 O ATOM 0 H ASP A 70 22.006 2.112 -8.351 1.00 51.43 H new ATOM 0 HA ASP A 70 22.820 -0.634 -9.000 1.00 20.12 H new ATOM 0 HB2 ASP A 70 24.224 1.643 -8.274 1.00 2.32 H new ATOM 0 HB3 ASP A 70 24.088 0.801 -6.743 1.00 2.32 H new ATOM 1141 N THR A 71 21.466 -1.699 -7.224 1.00 53.22 N ATOM 1142 CA THR A 71 20.768 -2.405 -6.157 1.00 24.00 C ATOM 1143 C THR A 71 21.741 -2.871 -5.079 1.00 74.45 C ATOM 1144 O THR A 71 21.412 -2.875 -3.893 1.00 3.32 O ATOM 1145 CB THR A 71 19.998 -3.624 -6.700 1.00 0.44 C ATOM 1146 OG1 THR A 71 20.558 -4.040 -7.950 1.00 51.00 O ATOM 1147 CG2 THR A 71 18.524 -3.294 -6.883 1.00 22.45 C ATOM 0 H THR A 71 21.511 -2.208 -8.107 1.00 53.22 H new ATOM 0 HA THR A 71 20.058 -1.701 -5.723 1.00 24.00 H new ATOM 0 HB THR A 71 20.086 -4.434 -5.976 1.00 0.44 H new ATOM 0 HG1 THR A 71 20.064 -4.816 -8.288 1.00 51.00 H new ATOM 0 HG21 THR A 71 18.000 -4.169 -7.267 1.00 22.45 H new ATOM 0 HG22 THR A 71 18.094 -3.006 -5.924 1.00 22.45 H new ATOM 0 HG23 THR A 71 18.421 -2.470 -7.589 1.00 22.45 H new ATOM 1155 N TYR A 72 22.938 -3.264 -5.500 1.00 0.24 N ATOM 1156 CA TYR A 72 23.958 -3.734 -4.570 1.00 30.02 C ATOM 1157 C TYR A 72 24.325 -2.644 -3.567 1.00 31.40 C ATOM 1158 O TYR A 72 24.496 -2.912 -2.377 1.00 53.24 O ATOM 1159 CB TYR A 72 25.206 -4.182 -5.333 1.00 11.14 C ATOM 1160 CG TYR A 72 26.373 -4.526 -4.435 1.00 70.42 C ATOM 1161 CD1 TYR A 72 26.185 -5.250 -3.265 1.00 31.55 C ATOM 1162 CD2 TYR A 72 27.664 -4.128 -4.759 1.00 24.42 C ATOM 1163 CE1 TYR A 72 27.248 -5.567 -2.441 1.00 43.45 C ATOM 1164 CE2 TYR A 72 28.734 -4.441 -3.942 1.00 60.35 C ATOM 1165 CZ TYR A 72 28.521 -5.160 -2.785 1.00 32.13 C ATOM 1166 OH TYR A 72 29.583 -5.474 -1.968 1.00 70.32 O ATOM 0 H TYR A 72 23.226 -3.266 -6.479 1.00 0.24 H new ATOM 0 HA TYR A 72 23.550 -4.584 -4.022 1.00 30.02 H new ATOM 0 HB2 TYR A 72 24.957 -5.052 -5.941 1.00 11.14 H new ATOM 0 HB3 TYR A 72 25.507 -3.390 -6.018 1.00 11.14 H new ATOM 0 HD1 TYR A 72 25.190 -5.571 -2.994 1.00 31.55 H new ATOM 0 HD2 TYR A 72 27.834 -3.565 -5.664 1.00 24.42 H new ATOM 0 HE1 TYR A 72 27.084 -6.130 -1.534 1.00 43.45 H new ATOM 0 HE2 TYR A 72 29.731 -4.124 -4.208 1.00 60.35 H new ATOM 0 HH TYR A 72 30.409 -5.115 -2.353 1.00 70.32 H new ATOM 1176 N ASP A 73 24.444 -1.415 -4.056 1.00 71.24 N ATOM 1177 CA ASP A 73 24.789 -0.283 -3.204 1.00 72.04 C ATOM 1178 C ASP A 73 23.700 -0.033 -2.166 1.00 54.31 C ATOM 1179 O ASP A 73 22.613 0.444 -2.494 1.00 41.15 O ATOM 1180 CB ASP A 73 25.002 0.973 -4.051 1.00 25.04 C ATOM 1181 CG ASP A 73 25.544 2.133 -3.239 1.00 25.24 C ATOM 1182 OD1 ASP A 73 25.876 1.923 -2.053 1.00 55.11 O ATOM 1183 OD2 ASP A 73 25.637 3.251 -3.788 1.00 72.43 O ATOM 0 H ASP A 73 24.307 -1.177 -5.038 1.00 71.24 H new ATOM 0 HA ASP A 73 25.716 -0.521 -2.682 1.00 72.04 H new ATOM 0 HB2 ASP A 73 25.693 0.747 -4.863 1.00 25.04 H new ATOM 0 HB3 ASP A 73 24.056 1.264 -4.509 1.00 25.04 H new ATOM 1188 N ARG A 74 23.998 -0.358 -0.913 1.00 31.44 N ATOM 1189 CA ARG A 74 23.043 -0.171 0.173 1.00 24.03 C ATOM 1190 C ARG A 74 22.542 1.269 0.214 1.00 55.45 C ATOM 1191 O ARG A 74 21.432 1.537 0.674 1.00 41.04 O ATOM 1192 CB ARG A 74 23.685 -0.537 1.513 1.00 13.53 C ATOM 1193 CG ARG A 74 24.650 0.516 2.034 1.00 54.21 C ATOM 1194 CD ARG A 74 25.928 0.556 1.211 1.00 54.21 C ATOM 1195 NE ARG A 74 26.529 -0.767 1.069 1.00 20.11 N ATOM 1196 CZ ARG A 74 27.123 -1.415 2.065 1.00 44.21 C ATOM 1197 NH1 ARG A 74 27.195 -0.864 3.269 1.00 61.11 N ATOM 1198 NH2 ARG A 74 27.647 -2.616 1.858 1.00 61.24 N ATOM 0 H ARG A 74 24.893 -0.752 -0.624 1.00 31.44 H new ATOM 0 HA ARG A 74 22.192 -0.829 -0.007 1.00 24.03 H new ATOM 0 HB2 ARG A 74 22.899 -0.695 2.252 1.00 13.53 H new ATOM 0 HB3 ARG A 74 24.216 -1.483 1.406 1.00 13.53 H new ATOM 0 HG2 ARG A 74 24.170 1.494 2.011 1.00 54.21 H new ATOM 0 HG3 ARG A 74 24.893 0.305 3.075 1.00 54.21 H new ATOM 0 HD2 ARG A 74 25.711 0.963 0.224 1.00 54.21 H new ATOM 0 HD3 ARG A 74 26.643 1.230 1.684 1.00 54.21 H new ATOM 0 HE ARG A 74 26.491 -1.218 0.155 1.00 20.11 H new ATOM 0 HH11 ARG A 74 26.794 0.059 3.432 1.00 61.11 H new ATOM 0 HH12 ARG A 74 27.652 -1.364 4.032 1.00 61.11 H new ATOM 0 HH21 ARG A 74 27.594 -3.043 0.933 1.00 61.24 H new ATOM 0 HH22 ARG A 74 28.103 -3.112 2.624 1.00 61.24 H new ATOM 1212 N GLU A 75 23.367 2.192 -0.271 1.00 11.11 N ATOM 1213 CA GLU A 75 23.006 3.605 -0.289 1.00 25.15 C ATOM 1214 C GLU A 75 21.853 3.860 -1.254 1.00 34.01 C ATOM 1215 O GLU A 75 20.822 4.415 -0.872 1.00 65.33 O ATOM 1216 CB GLU A 75 24.214 4.457 -0.683 1.00 42.34 C ATOM 1217 CG GLU A 75 25.127 4.797 0.483 1.00 62.42 C ATOM 1218 CD GLU A 75 26.245 5.744 0.092 1.00 21.22 C ATOM 1219 OE1 GLU A 75 26.002 6.968 0.061 1.00 43.21 O ATOM 1220 OE2 GLU A 75 27.363 5.260 -0.182 1.00 63.30 O ATOM 0 H GLU A 75 24.289 1.987 -0.656 1.00 11.11 H new ATOM 0 HA GLU A 75 22.685 3.885 0.714 1.00 25.15 H new ATOM 0 HB2 GLU A 75 24.790 3.927 -1.441 1.00 42.34 H new ATOM 0 HB3 GLU A 75 23.862 5.382 -1.139 1.00 42.34 H new ATOM 0 HG2 GLU A 75 24.538 5.247 1.282 1.00 62.42 H new ATOM 0 HG3 GLU A 75 25.557 3.879 0.883 1.00 62.42 H new ATOM 1227 N GLN A 76 22.035 3.451 -2.505 1.00 54.35 N ATOM 1228 CA GLN A 76 21.010 3.637 -3.526 1.00 34.32 C ATOM 1229 C GLN A 76 19.717 2.928 -3.134 1.00 63.55 C ATOM 1230 O GLN A 76 18.656 3.547 -3.056 1.00 62.24 O ATOM 1231 CB GLN A 76 21.503 3.114 -4.876 1.00 25.01 C ATOM 1232 CG GLN A 76 22.757 3.813 -5.377 1.00 71.22 C ATOM 1233 CD GLN A 76 22.698 4.125 -6.860 1.00 30.34 C ATOM 1234 OE1 GLN A 76 21.661 4.541 -7.377 1.00 43.23 O ATOM 1235 NE2 GLN A 76 23.813 3.924 -7.552 1.00 4.52 N ATOM 0 H GLN A 76 22.882 2.989 -2.836 1.00 54.35 H new ATOM 0 HA GLN A 76 20.807 4.705 -3.611 1.00 34.32 H new ATOM 0 HB2 GLN A 76 21.701 2.045 -4.792 1.00 25.01 H new ATOM 0 HB3 GLN A 76 20.710 3.234 -5.614 1.00 25.01 H new ATOM 0 HG2 GLN A 76 22.899 4.739 -4.820 1.00 71.22 H new ATOM 0 HG3 GLN A 76 23.624 3.184 -5.176 1.00 71.22 H new ATOM 0 HE21 GLN A 76 24.650 3.578 -7.082 1.00 4.52 H new ATOM 0 HE22 GLN A 76 23.833 4.116 -8.554 1.00 4.52 H new ATOM 1244 N VAL A 77 19.814 1.625 -2.890 1.00 31.54 N ATOM 1245 CA VAL A 77 18.653 0.831 -2.506 1.00 32.35 C ATOM 1246 C VAL A 77 17.931 1.453 -1.316 1.00 31.03 C ATOM 1247 O VAL A 77 16.712 1.339 -1.188 1.00 2.34 O ATOM 1248 CB VAL A 77 19.053 -0.614 -2.151 1.00 51.21 C ATOM 1249 CG1 VAL A 77 19.563 -0.691 -0.720 1.00 43.13 C ATOM 1250 CG2 VAL A 77 17.878 -1.558 -2.358 1.00 41.34 C ATOM 0 H VAL A 77 20.685 1.097 -2.951 1.00 31.54 H new ATOM 0 HA VAL A 77 17.983 0.814 -3.366 1.00 32.35 H new ATOM 0 HB VAL A 77 19.860 -0.923 -2.816 1.00 51.21 H new ATOM 0 HG11 VAL A 77 19.841 -1.719 -0.488 1.00 43.13 H new ATOM 0 HG12 VAL A 77 20.435 -0.046 -0.609 1.00 43.13 H new ATOM 0 HG13 VAL A 77 18.780 -0.363 -0.036 1.00 43.13 H new ATOM 0 HG21 VAL A 77 18.178 -2.574 -2.103 1.00 41.34 H new ATOM 0 HG22 VAL A 77 17.049 -1.253 -1.719 1.00 41.34 H new ATOM 0 HG23 VAL A 77 17.563 -1.524 -3.401 1.00 41.34 H new ATOM 1260 N MET A 78 18.692 2.111 -0.447 1.00 54.44 N ATOM 1261 CA MET A 78 18.124 2.754 0.732 1.00 35.12 C ATOM 1262 C MET A 78 17.252 3.942 0.338 1.00 61.05 C ATOM 1263 O MET A 78 16.076 4.008 0.694 1.00 14.04 O ATOM 1264 CB MET A 78 19.237 3.214 1.675 1.00 42.13 C ATOM 1265 CG MET A 78 19.512 2.243 2.811 1.00 31.50 C ATOM 1266 SD MET A 78 20.626 2.924 4.054 1.00 11.50 S ATOM 1267 CE MET A 78 22.209 2.361 3.435 1.00 4.01 C ATOM 0 H MET A 78 19.703 2.213 -0.537 1.00 54.44 H new ATOM 0 HA MET A 78 17.500 2.024 1.247 1.00 35.12 H new ATOM 0 HB2 MET A 78 20.152 3.357 1.101 1.00 42.13 H new ATOM 0 HB3 MET A 78 18.969 4.184 2.094 1.00 42.13 H new ATOM 0 HG2 MET A 78 18.570 1.968 3.285 1.00 31.50 H new ATOM 0 HG3 MET A 78 19.943 1.328 2.405 1.00 31.50 H new ATOM 0 HE1 MET A 78 22.943 2.382 4.241 1.00 4.01 H new ATOM 0 HE2 MET A 78 22.111 1.342 3.059 1.00 4.01 H new ATOM 0 HE3 MET A 78 22.538 3.016 2.628 1.00 4.01 H new ATOM 1277 N LYS A 79 17.837 4.879 -0.401 1.00 13.43 N ATOM 1278 CA LYS A 79 17.114 6.065 -0.845 1.00 50.21 C ATOM 1279 C LYS A 79 15.844 5.679 -1.597 1.00 64.31 C ATOM 1280 O LYS A 79 14.814 6.342 -1.477 1.00 3.54 O ATOM 1281 CB LYS A 79 18.008 6.927 -1.740 1.00 75.44 C ATOM 1282 CG LYS A 79 19.215 7.503 -1.021 1.00 33.20 C ATOM 1283 CD LYS A 79 20.281 7.963 -2.001 1.00 54.51 C ATOM 1284 CE LYS A 79 21.507 8.499 -1.279 1.00 44.51 C ATOM 1285 NZ LYS A 79 21.340 9.925 -0.884 1.00 15.40 N ATOM 0 H LYS A 79 18.810 4.840 -0.705 1.00 13.43 H new ATOM 0 HA LYS A 79 16.832 6.639 0.037 1.00 50.21 H new ATOM 0 HB2 LYS A 79 18.350 6.327 -2.583 1.00 75.44 H new ATOM 0 HB3 LYS A 79 17.416 7.745 -2.151 1.00 75.44 H new ATOM 0 HG2 LYS A 79 18.903 8.343 -0.400 1.00 33.20 H new ATOM 0 HG3 LYS A 79 19.634 6.751 -0.352 1.00 33.20 H new ATOM 0 HD2 LYS A 79 20.570 7.131 -2.643 1.00 54.51 H new ATOM 0 HD3 LYS A 79 19.871 8.738 -2.649 1.00 54.51 H new ATOM 0 HE2 LYS A 79 21.698 7.896 -0.391 1.00 44.51 H new ATOM 0 HE3 LYS A 79 22.380 8.401 -1.924 1.00 44.51 H new ATOM 0 HZ1 LYS A 79 22.197 10.252 -0.395 1.00 15.40 H new ATOM 0 HZ2 LYS A 79 21.183 10.504 -1.733 1.00 15.40 H new ATOM 0 HZ3 LYS A 79 20.522 10.015 -0.248 1.00 15.40 H new ATOM 1299 N ILE A 80 15.925 4.602 -2.371 1.00 23.41 N ATOM 1300 CA ILE A 80 14.782 4.126 -3.140 1.00 12.24 C ATOM 1301 C ILE A 80 13.677 3.614 -2.222 1.00 0.12 C ATOM 1302 O ILE A 80 12.534 4.065 -2.298 1.00 51.51 O ATOM 1303 CB ILE A 80 15.186 3.004 -4.114 1.00 12.00 C ATOM 1304 CG1 ILE A 80 16.247 3.507 -5.094 1.00 43.42 C ATOM 1305 CG2 ILE A 80 13.966 2.489 -4.864 1.00 2.22 C ATOM 1306 CD1 ILE A 80 17.141 2.412 -5.632 1.00 71.12 C ATOM 0 H ILE A 80 16.771 4.042 -2.482 1.00 23.41 H new ATOM 0 HA ILE A 80 14.411 4.976 -3.713 1.00 12.24 H new ATOM 0 HB ILE A 80 15.610 2.180 -3.540 1.00 12.00 H new ATOM 0 HG12 ILE A 80 15.752 4.004 -5.929 1.00 43.42 H new ATOM 0 HG13 ILE A 80 16.863 4.256 -4.597 1.00 43.42 H new ATOM 0 HG21 ILE A 80 14.268 1.696 -5.549 1.00 2.22 H new ATOM 0 HG22 ILE A 80 13.240 2.097 -4.152 1.00 2.22 H new ATOM 0 HG23 ILE A 80 13.515 3.305 -5.429 1.00 2.22 H new ATOM 0 HD11 ILE A 80 17.869 2.842 -6.320 1.00 71.12 H new ATOM 0 HD12 ILE A 80 17.664 1.930 -4.806 1.00 71.12 H new ATOM 0 HD13 ILE A 80 16.536 1.674 -6.158 1.00 71.12 H new ATOM 1318 N ILE A 81 14.026 2.671 -1.354 1.00 25.41 N ATOM 1319 CA ILE A 81 13.065 2.099 -0.419 1.00 50.41 C ATOM 1320 C ILE A 81 12.493 3.170 0.504 1.00 72.12 C ATOM 1321 O ILE A 81 11.317 3.129 0.865 1.00 34.41 O ATOM 1322 CB ILE A 81 13.703 0.988 0.436 1.00 52.24 C ATOM 1323 CG1 ILE A 81 14.133 -0.183 -0.450 1.00 42.10 C ATOM 1324 CG2 ILE A 81 12.729 0.519 1.507 1.00 45.51 C ATOM 1325 CD1 ILE A 81 14.978 -1.208 0.273 1.00 61.42 C ATOM 0 H ILE A 81 14.968 2.287 -1.279 1.00 25.41 H new ATOM 0 HA ILE A 81 12.261 1.669 -1.016 1.00 50.41 H new ATOM 0 HB ILE A 81 14.588 1.391 0.929 1.00 52.24 H new ATOM 0 HG12 ILE A 81 13.244 -0.672 -0.848 1.00 42.10 H new ATOM 0 HG13 ILE A 81 14.693 0.203 -1.302 1.00 42.10 H new ATOM 0 HG21 ILE A 81 13.194 -0.266 2.103 1.00 45.51 H new ATOM 0 HG22 ILE A 81 12.467 1.357 2.152 1.00 45.51 H new ATOM 0 HG23 ILE A 81 11.828 0.129 1.034 1.00 45.51 H new ATOM 0 HD11 ILE A 81 15.246 -2.009 -0.416 1.00 61.42 H new ATOM 0 HD12 ILE A 81 15.884 -0.733 0.648 1.00 61.42 H new ATOM 0 HD13 ILE A 81 14.413 -1.622 1.108 1.00 61.42 H new ATOM 1337 N ASP A 82 13.332 4.129 0.880 1.00 31.53 N ATOM 1338 CA ASP A 82 12.909 5.213 1.759 1.00 23.10 C ATOM 1339 C ASP A 82 11.974 6.172 1.028 1.00 24.43 C ATOM 1340 O ASP A 82 10.898 6.503 1.525 1.00 64.41 O ATOM 1341 CB ASP A 82 14.127 5.973 2.289 1.00 74.53 C ATOM 1342 CG ASP A 82 13.804 6.796 3.520 1.00 3.01 C ATOM 1343 OD1 ASP A 82 13.001 6.328 4.354 1.00 72.21 O ATOM 1344 OD2 ASP A 82 14.356 7.908 3.651 1.00 43.44 O ATOM 0 H ASP A 82 14.309 4.178 0.590 1.00 31.53 H new ATOM 0 HA ASP A 82 12.369 4.777 2.599 1.00 23.10 H new ATOM 0 HB2 ASP A 82 14.919 5.263 2.527 1.00 74.53 H new ATOM 0 HB3 ASP A 82 14.511 6.629 1.507 1.00 74.53 H new ATOM 1349 N GLU A 83 12.394 6.614 -0.153 1.00 51.01 N ATOM 1350 CA GLU A 83 11.594 7.536 -0.951 1.00 1.35 C ATOM 1351 C GLU A 83 10.270 6.896 -1.357 1.00 51.34 C ATOM 1352 O GLU A 83 9.208 7.507 -1.231 1.00 60.52 O ATOM 1353 CB GLU A 83 12.368 7.970 -2.197 1.00 53.43 C ATOM 1354 CG GLU A 83 13.391 9.061 -1.930 1.00 0.25 C ATOM 1355 CD GLU A 83 12.756 10.427 -1.756 1.00 51.22 C ATOM 1356 OE1 GLU A 83 12.386 11.043 -2.778 1.00 62.21 O ATOM 1357 OE2 GLU A 83 12.629 10.881 -0.600 1.00 33.42 O ATOM 0 H GLU A 83 13.283 6.349 -0.578 1.00 51.01 H new ATOM 0 HA GLU A 83 11.381 8.414 -0.341 1.00 1.35 H new ATOM 0 HB2 GLU A 83 12.876 7.103 -2.619 1.00 53.43 H new ATOM 0 HB3 GLU A 83 11.662 8.322 -2.949 1.00 53.43 H new ATOM 0 HG2 GLU A 83 13.957 8.811 -1.033 1.00 0.25 H new ATOM 0 HG3 GLU A 83 14.102 9.097 -2.756 1.00 0.25 H new ATOM 1364 N PHE A 84 10.341 5.663 -1.847 1.00 23.12 N ATOM 1365 CA PHE A 84 9.149 4.940 -2.274 1.00 63.22 C ATOM 1366 C PHE A 84 8.297 4.538 -1.074 1.00 3.13 C ATOM 1367 O PHE A 84 7.137 4.152 -1.222 1.00 5.32 O ATOM 1368 CB PHE A 84 9.541 3.696 -3.075 1.00 0.12 C ATOM 1369 CG PHE A 84 9.869 3.987 -4.511 1.00 62.24 C ATOM 1370 CD1 PHE A 84 10.956 4.781 -4.840 1.00 60.25 C ATOM 1371 CD2 PHE A 84 9.091 3.466 -5.533 1.00 23.33 C ATOM 1372 CE1 PHE A 84 11.260 5.050 -6.162 1.00 14.45 C ATOM 1373 CE2 PHE A 84 9.390 3.732 -6.856 1.00 23.43 C ATOM 1374 CZ PHE A 84 10.477 4.524 -7.170 1.00 54.24 C ATOM 0 H PHE A 84 11.212 5.143 -1.958 1.00 23.12 H new ATOM 0 HA PHE A 84 8.561 5.603 -2.909 1.00 63.22 H new ATOM 0 HB2 PHE A 84 10.403 3.226 -2.602 1.00 0.12 H new ATOM 0 HB3 PHE A 84 8.724 2.976 -3.036 1.00 0.12 H new ATOM 0 HD1 PHE A 84 11.572 5.194 -4.055 1.00 60.25 H new ATOM 0 HD2 PHE A 84 8.241 2.845 -5.293 1.00 23.33 H new ATOM 0 HE1 PHE A 84 12.109 5.671 -6.406 1.00 14.45 H new ATOM 0 HE2 PHE A 84 8.775 3.321 -7.643 1.00 23.43 H new ATOM 0 HZ PHE A 84 10.714 4.732 -8.203 1.00 54.24 H new ATOM 1384 N LYS A 85 8.881 4.631 0.116 1.00 23.12 N ATOM 1385 CA LYS A 85 8.178 4.279 1.344 1.00 71.42 C ATOM 1386 C LYS A 85 7.710 2.827 1.305 1.00 13.43 C ATOM 1387 O LYS A 85 6.526 2.543 1.488 1.00 74.44 O ATOM 1388 CB LYS A 85 6.979 5.207 1.554 1.00 64.14 C ATOM 1389 CG LYS A 85 7.343 6.533 2.198 1.00 41.53 C ATOM 1390 CD LYS A 85 7.475 7.638 1.163 1.00 41.21 C ATOM 1391 CE LYS A 85 6.880 8.945 1.664 1.00 53.13 C ATOM 1392 NZ LYS A 85 5.414 9.019 1.412 1.00 51.33 N ATOM 0 H LYS A 85 9.840 4.948 0.256 1.00 23.12 H new ATOM 0 HA LYS A 85 8.871 4.397 2.177 1.00 71.42 H new ATOM 0 HB2 LYS A 85 6.505 5.398 0.591 1.00 64.14 H new ATOM 0 HB3 LYS A 85 6.242 4.700 2.177 1.00 64.14 H new ATOM 0 HG2 LYS A 85 6.580 6.806 2.927 1.00 41.53 H new ATOM 0 HG3 LYS A 85 8.282 6.429 2.742 1.00 41.53 H new ATOM 0 HD2 LYS A 85 8.527 7.786 0.919 1.00 41.21 H new ATOM 0 HD3 LYS A 85 6.974 7.338 0.243 1.00 41.21 H new ATOM 0 HE2 LYS A 85 7.070 9.045 2.733 1.00 53.13 H new ATOM 0 HE3 LYS A 85 7.376 9.782 1.172 1.00 53.13 H new ATOM 0 HZ1 LYS A 85 5.046 9.924 1.768 1.00 51.33 H new ATOM 0 HZ2 LYS A 85 5.233 8.949 0.390 1.00 51.33 H new ATOM 0 HZ3 LYS A 85 4.938 8.235 1.902 1.00 51.33 H new ATOM 1406 N ILE A 86 8.646 1.915 1.068 1.00 33.45 N ATOM 1407 CA ILE A 86 8.328 0.493 1.009 1.00 2.21 C ATOM 1408 C ILE A 86 8.335 -0.130 2.401 1.00 62.23 C ATOM 1409 O ILE A 86 9.260 0.064 3.190 1.00 32.52 O ATOM 1410 CB ILE A 86 9.322 -0.269 0.113 1.00 41.45 C ATOM 1411 CG1 ILE A 86 9.433 0.410 -1.254 1.00 60.24 C ATOM 1412 CG2 ILE A 86 8.890 -1.719 -0.043 1.00 62.15 C ATOM 1413 CD1 ILE A 86 10.508 -0.183 -2.138 1.00 22.32 C ATOM 0 H ILE A 86 9.630 2.134 0.914 1.00 33.45 H new ATOM 0 HA ILE A 86 7.329 0.410 0.582 1.00 2.21 H new ATOM 0 HB ILE A 86 10.303 -0.252 0.587 1.00 41.45 H new ATOM 0 HG12 ILE A 86 8.473 0.338 -1.765 1.00 60.24 H new ATOM 0 HG13 ILE A 86 9.638 1.471 -1.108 1.00 60.24 H new ATOM 0 HG21 ILE A 86 9.602 -2.245 -0.679 1.00 62.15 H new ATOM 0 HG22 ILE A 86 8.857 -2.196 0.936 1.00 62.15 H new ATOM 0 HG23 ILE A 86 7.900 -1.757 -0.498 1.00 62.15 H new ATOM 0 HD11 ILE A 86 10.530 0.347 -3.090 1.00 22.32 H new ATOM 0 HD12 ILE A 86 11.477 -0.087 -1.647 1.00 22.32 H new ATOM 0 HD13 ILE A 86 10.293 -1.237 -2.314 1.00 22.32 H new ATOM 1425 N PRO A 87 7.280 -0.899 2.710 1.00 65.12 N ATOM 1426 CA PRO A 87 7.142 -1.569 4.006 1.00 23.32 C ATOM 1427 C PRO A 87 8.145 -2.704 4.182 1.00 64.31 C ATOM 1428 O PRO A 87 8.709 -3.206 3.208 1.00 14.13 O ATOM 1429 CB PRO A 87 5.714 -2.119 3.971 1.00 10.42 C ATOM 1430 CG PRO A 87 5.405 -2.279 2.523 1.00 43.04 C ATOM 1431 CD PRO A 87 6.142 -1.174 1.817 1.00 11.14 C ATOM 0 HA PRO A 87 7.332 -0.890 4.837 1.00 23.32 H new ATOM 0 HB2 PRO A 87 5.643 -3.070 4.498 1.00 10.42 H new ATOM 0 HB3 PRO A 87 5.015 -1.435 4.452 1.00 10.42 H new ATOM 0 HG2 PRO A 87 5.726 -3.256 2.161 1.00 43.04 H new ATOM 0 HG3 PRO A 87 4.332 -2.210 2.343 1.00 43.04 H new ATOM 0 HD2 PRO A 87 6.474 -1.482 0.826 1.00 11.14 H new ATOM 0 HD3 PRO A 87 5.514 -0.293 1.683 1.00 11.14 H new ATOM 1439 N THR A 88 8.365 -3.106 5.430 1.00 72.40 N ATOM 1440 CA THR A 88 9.300 -4.182 5.733 1.00 4.22 C ATOM 1441 C THR A 88 8.574 -5.511 5.905 1.00 14.33 C ATOM 1442 O THR A 88 7.352 -5.547 6.049 1.00 35.35 O ATOM 1443 CB THR A 88 10.107 -3.881 7.011 1.00 73.42 C ATOM 1444 OG1 THR A 88 9.873 -2.533 7.432 1.00 34.12 O ATOM 1445 CG2 THR A 88 11.594 -4.093 6.774 1.00 5.00 C ATOM 0 H THR A 88 7.908 -2.702 6.247 1.00 72.40 H new ATOM 0 HA THR A 88 9.984 -4.253 4.888 1.00 4.22 H new ATOM 0 HB THR A 88 9.778 -4.567 7.792 1.00 73.42 H new ATOM 0 HG1 THR A 88 10.388 -2.350 8.246 1.00 34.12 H new ATOM 0 HG21 THR A 88 12.143 -3.874 7.690 1.00 5.00 H new ATOM 0 HG22 THR A 88 11.772 -5.128 6.482 1.00 5.00 H new ATOM 0 HG23 THR A 88 11.934 -3.429 5.980 1.00 5.00 H new ATOM 1453 N VAL A 89 9.333 -6.602 5.890 1.00 10.41 N ATOM 1454 CA VAL A 89 8.761 -7.934 6.046 1.00 11.45 C ATOM 1455 C VAL A 89 7.853 -8.002 7.269 1.00 10.43 C ATOM 1456 O VAL A 89 6.700 -8.420 7.175 1.00 33.11 O ATOM 1457 CB VAL A 89 9.860 -9.005 6.177 1.00 50.25 C ATOM 1458 CG1 VAL A 89 9.244 -10.378 6.395 1.00 60.32 C ATOM 1459 CG2 VAL A 89 10.754 -9.002 4.946 1.00 4.11 C ATOM 0 H VAL A 89 10.346 -6.590 5.771 1.00 10.41 H new ATOM 0 HA VAL A 89 8.174 -8.134 5.149 1.00 11.45 H new ATOM 0 HB VAL A 89 10.474 -8.767 7.045 1.00 50.25 H new ATOM 0 HG11 VAL A 89 10.036 -11.122 6.485 1.00 60.32 H new ATOM 0 HG12 VAL A 89 8.649 -10.369 7.308 1.00 60.32 H new ATOM 0 HG13 VAL A 89 8.605 -10.629 5.548 1.00 60.32 H new ATOM 0 HG21 VAL A 89 11.525 -9.765 5.055 1.00 4.11 H new ATOM 0 HG22 VAL A 89 10.155 -9.215 4.061 1.00 4.11 H new ATOM 0 HG23 VAL A 89 11.223 -8.024 4.839 1.00 4.11 H new ATOM 1469 N GLU A 90 8.382 -7.587 8.416 1.00 11.32 N ATOM 1470 CA GLU A 90 7.618 -7.601 9.658 1.00 22.13 C ATOM 1471 C GLU A 90 6.282 -6.886 9.484 1.00 53.54 C ATOM 1472 O GLU A 90 5.227 -7.433 9.804 1.00 61.03 O ATOM 1473 CB GLU A 90 8.419 -6.942 10.783 1.00 10.21 C ATOM 1474 CG GLU A 90 9.388 -7.886 11.475 1.00 72.02 C ATOM 1475 CD GLU A 90 10.170 -7.210 12.584 1.00 13.22 C ATOM 1476 OE1 GLU A 90 9.717 -6.153 13.071 1.00 33.11 O ATOM 1477 OE2 GLU A 90 11.235 -7.738 12.966 1.00 60.55 O ATOM 0 H GLU A 90 9.336 -7.237 8.511 1.00 11.32 H new ATOM 0 HA GLU A 90 7.422 -8.640 9.922 1.00 22.13 H new ATOM 0 HB2 GLU A 90 8.976 -6.098 10.375 1.00 10.21 H new ATOM 0 HB3 GLU A 90 7.727 -6.539 11.522 1.00 10.21 H new ATOM 0 HG2 GLU A 90 8.835 -8.730 11.888 1.00 72.02 H new ATOM 0 HG3 GLU A 90 10.084 -8.290 10.739 1.00 72.02 H new ATOM 1484 N GLN A 91 6.336 -5.659 8.974 1.00 20.13 N ATOM 1485 CA GLN A 91 5.130 -4.868 8.758 1.00 23.13 C ATOM 1486 C GLN A 91 4.160 -5.596 7.835 1.00 74.43 C ATOM 1487 O GLN A 91 2.953 -5.617 8.078 1.00 1.04 O ATOM 1488 CB GLN A 91 5.489 -3.504 8.167 1.00 41.31 C ATOM 1489 CG GLN A 91 6.607 -2.793 8.912 1.00 44.21 C ATOM 1490 CD GLN A 91 6.370 -2.740 10.408 1.00 2.32 C ATOM 1491 OE1 GLN A 91 5.273 -2.416 10.863 1.00 12.14 O ATOM 1492 NE2 GLN A 91 7.400 -3.059 11.183 1.00 44.31 N ATOM 0 H GLN A 91 7.201 -5.192 8.703 1.00 20.13 H new ATOM 0 HA GLN A 91 4.644 -4.722 9.723 1.00 23.13 H new ATOM 0 HB2 GLN A 91 5.783 -3.635 7.126 1.00 41.31 H new ATOM 0 HB3 GLN A 91 4.602 -2.871 8.170 1.00 41.31 H new ATOM 0 HG2 GLN A 91 7.551 -3.302 8.715 1.00 44.21 H new ATOM 0 HG3 GLN A 91 6.706 -1.778 8.528 1.00 44.21 H new ATOM 0 HE21 GLN A 91 8.292 -3.322 10.763 1.00 44.31 H new ATOM 0 HE22 GLN A 91 7.299 -3.041 12.198 1.00 44.31 H new ATOM 1501 N TRP A 92 4.694 -6.192 6.775 1.00 73.12 N ATOM 1502 CA TRP A 92 3.874 -6.922 5.814 1.00 13.51 C ATOM 1503 C TRP A 92 3.239 -8.148 6.460 1.00 24.14 C ATOM 1504 O TRP A 92 2.103 -8.507 6.152 1.00 70.42 O ATOM 1505 CB TRP A 92 4.717 -7.343 4.609 1.00 14.03 C ATOM 1506 CG TRP A 92 3.932 -8.074 3.562 1.00 22.33 C ATOM 1507 CD1 TRP A 92 3.000 -7.544 2.717 1.00 13.12 C ATOM 1508 CD2 TRP A 92 4.011 -9.470 3.251 1.00 1.41 C ATOM 1509 NE1 TRP A 92 2.494 -8.526 1.899 1.00 0.54 N ATOM 1510 CE2 TRP A 92 3.099 -9.716 2.206 1.00 12.44 C ATOM 1511 CE3 TRP A 92 4.765 -10.535 3.752 1.00 52.53 C ATOM 1512 CZ2 TRP A 92 2.921 -10.982 1.657 1.00 63.45 C ATOM 1513 CZ3 TRP A 92 4.587 -11.791 3.205 1.00 22.21 C ATOM 1514 CH2 TRP A 92 3.672 -12.007 2.166 1.00 42.41 C ATOM 0 H TRP A 92 5.691 -6.184 6.559 1.00 73.12 H new ATOM 0 HA TRP A 92 3.077 -6.259 5.477 1.00 13.51 H new ATOM 0 HB2 TRP A 92 5.168 -6.457 4.162 1.00 14.03 H new ATOM 0 HB3 TRP A 92 5.534 -7.979 4.950 1.00 14.03 H new ATOM 0 HD1 TRP A 92 2.704 -6.506 2.694 1.00 13.12 H new ATOM 0 HE1 TRP A 92 1.783 -8.391 1.180 1.00 0.54 H new ATOM 0 HE3 TRP A 92 5.474 -10.379 4.552 1.00 52.53 H new ATOM 0 HZ2 TRP A 92 2.215 -11.150 0.857 1.00 63.45 H new ATOM 0 HZ3 TRP A 92 5.163 -12.621 3.585 1.00 22.21 H new ATOM 0 HH2 TRP A 92 3.557 -13.001 1.759 1.00 42.41 H new ATOM 1525 N LYS A 93 3.980 -8.788 7.359 1.00 1.31 N ATOM 1526 CA LYS A 93 3.490 -9.974 8.051 1.00 52.11 C ATOM 1527 C LYS A 93 2.352 -9.618 9.002 1.00 11.41 C ATOM 1528 O LYS A 93 1.389 -10.372 9.144 1.00 43.04 O ATOM 1529 CB LYS A 93 4.626 -10.643 8.827 1.00 64.54 C ATOM 1530 CG LYS A 93 5.777 -11.100 7.947 1.00 43.44 C ATOM 1531 CD LYS A 93 5.649 -12.568 7.577 1.00 53.20 C ATOM 1532 CE LYS A 93 4.952 -12.746 6.237 1.00 61.24 C ATOM 1533 NZ LYS A 93 3.999 -13.890 6.255 1.00 62.33 N ATOM 0 H LYS A 93 4.923 -8.505 7.625 1.00 1.31 H new ATOM 0 HA LYS A 93 3.111 -10.669 7.302 1.00 52.11 H new ATOM 0 HB2 LYS A 93 5.005 -9.945 9.573 1.00 64.54 H new ATOM 0 HB3 LYS A 93 4.229 -11.503 9.367 1.00 64.54 H new ATOM 0 HG2 LYS A 93 5.804 -10.496 7.040 1.00 43.44 H new ATOM 0 HG3 LYS A 93 6.721 -10.936 8.467 1.00 43.44 H new ATOM 0 HD2 LYS A 93 6.639 -13.022 7.536 1.00 53.20 H new ATOM 0 HD3 LYS A 93 5.090 -13.092 8.352 1.00 53.20 H new ATOM 0 HE2 LYS A 93 4.417 -11.831 5.982 1.00 61.24 H new ATOM 0 HE3 LYS A 93 5.698 -12.907 5.458 1.00 61.24 H new ATOM 0 HZ1 LYS A 93 3.545 -13.978 5.324 1.00 62.33 H new ATOM 0 HZ2 LYS A 93 4.514 -14.767 6.473 1.00 62.33 H new ATOM 0 HZ3 LYS A 93 3.272 -13.725 6.981 1.00 62.33 H new ATOM 1547 N ASP A 94 2.468 -8.464 9.650 1.00 22.04 N ATOM 1548 CA ASP A 94 1.448 -8.007 10.586 1.00 13.44 C ATOM 1549 C ASP A 94 0.169 -7.619 9.850 1.00 62.53 C ATOM 1550 O ASP A 94 -0.922 -8.064 10.206 1.00 43.10 O ATOM 1551 CB ASP A 94 1.965 -6.817 11.396 1.00 13.42 C ATOM 1552 CG ASP A 94 1.080 -6.497 12.585 1.00 31.32 C ATOM 1553 OD1 ASP A 94 0.634 -7.445 13.265 1.00 21.51 O ATOM 1554 OD2 ASP A 94 0.834 -5.299 12.836 1.00 30.23 O ATOM 0 H ASP A 94 3.258 -7.828 9.544 1.00 22.04 H new ATOM 0 HA ASP A 94 1.220 -8.828 11.266 1.00 13.44 H new ATOM 0 HB2 ASP A 94 2.975 -7.031 11.746 1.00 13.42 H new ATOM 0 HB3 ASP A 94 2.030 -5.942 10.749 1.00 13.42 H new ATOM 1559 N GLN A 95 0.313 -6.788 8.823 1.00 74.35 N ATOM 1560 CA GLN A 95 -0.832 -6.340 8.037 1.00 25.35 C ATOM 1561 C GLN A 95 -1.550 -7.524 7.398 1.00 42.12 C ATOM 1562 O GLN A 95 -2.779 -7.559 7.337 1.00 34.43 O ATOM 1563 CB GLN A 95 -0.381 -5.357 6.956 1.00 51.20 C ATOM 1564 CG GLN A 95 0.560 -5.969 5.931 1.00 54.14 C ATOM 1565 CD GLN A 95 1.046 -4.960 4.909 1.00 13.10 C ATOM 1566 OE1 GLN A 95 0.895 -5.158 3.703 1.00 34.02 O ATOM 1567 NE2 GLN A 95 1.634 -3.869 5.387 1.00 34.30 N ATOM 0 H GLN A 95 1.210 -6.411 8.515 1.00 74.35 H new ATOM 0 HA GLN A 95 -1.528 -5.837 8.708 1.00 25.35 H new ATOM 0 HB2 GLN A 95 -1.260 -4.966 6.443 1.00 51.20 H new ATOM 0 HB3 GLN A 95 0.114 -4.510 7.431 1.00 51.20 H new ATOM 0 HG2 GLN A 95 1.418 -6.402 6.445 1.00 54.14 H new ATOM 0 HG3 GLN A 95 0.051 -6.784 5.417 1.00 54.14 H new ATOM 0 HE21 GLN A 95 1.738 -3.745 6.394 1.00 34.30 H new ATOM 0 HE22 GLN A 95 1.981 -3.155 4.747 1.00 34.30 H new ATOM 1576 N THR A 96 -0.775 -8.493 6.920 1.00 4.24 N ATOM 1577 CA THR A 96 -1.336 -9.677 6.284 1.00 73.32 C ATOM 1578 C THR A 96 -2.028 -10.574 7.304 1.00 22.21 C ATOM 1579 O THR A 96 -3.100 -11.119 7.040 1.00 11.53 O ATOM 1580 CB THR A 96 -0.251 -10.491 5.554 1.00 21.01 C ATOM 1581 OG1 THR A 96 0.848 -10.743 6.436 1.00 24.23 O ATOM 1582 CG2 THR A 96 0.242 -9.751 4.320 1.00 42.21 C ATOM 0 H THR A 96 0.244 -8.480 6.962 1.00 4.24 H new ATOM 0 HA THR A 96 -2.068 -9.327 5.556 1.00 73.32 H new ATOM 0 HB THR A 96 -0.689 -11.438 5.239 1.00 21.01 H new ATOM 0 HG1 THR A 96 1.461 -9.979 6.421 1.00 24.23 H new ATOM 0 HG21 THR A 96 1.008 -10.345 3.821 1.00 42.21 H new ATOM 0 HG22 THR A 96 -0.592 -9.586 3.637 1.00 42.21 H new ATOM 0 HG23 THR A 96 0.664 -8.791 4.616 1.00 42.21 H new ATOM 1941 N PHE B -7 9.152 -15.456 7.546 1.00 3.43 N ATOM 1942 CA PHE B -7 10.346 -15.458 6.708 1.00 12.02 C ATOM 1943 C PHE B -7 11.592 -15.153 7.535 1.00 35.40 C ATOM 1944 O PHE B -7 12.371 -16.051 7.856 1.00 30.00 O ATOM 1945 CB PHE B -7 10.205 -14.433 5.581 1.00 61.23 C ATOM 1946 CG PHE B -7 9.127 -14.774 4.592 1.00 31.00 C ATOM 1947 CD1 PHE B -7 7.790 -14.661 4.938 1.00 1.14 C ATOM 1948 CD2 PHE B -7 9.450 -15.207 3.316 1.00 2.12 C ATOM 1949 CE1 PHE B -7 6.796 -14.975 4.031 1.00 42.43 C ATOM 1950 CE2 PHE B -7 8.461 -15.522 2.404 1.00 14.30 C ATOM 1951 CZ PHE B -7 7.132 -15.404 2.762 1.00 72.43 C ATOM 0 H1 PHE B -7 8.308 -15.564 6.948 1.00 3.43 H new ATOM 0 H2 PHE B -7 9.201 -16.245 8.222 1.00 3.43 H new ATOM 0 H3 PHE B -7 9.094 -14.557 8.066 1.00 3.43 H new ATOM 0 HA PHE B -7 10.454 -16.452 6.275 1.00 12.02 H new ATOM 0 HB2 PHE B -7 9.994 -13.455 6.014 1.00 61.23 H new ATOM 0 HB3 PHE B -7 11.156 -14.350 5.055 1.00 61.23 H new ATOM 0 HD1 PHE B -7 7.522 -14.324 5.928 1.00 1.14 H new ATOM 0 HD2 PHE B -7 10.488 -15.299 3.031 1.00 2.12 H new ATOM 0 HE1 PHE B -7 5.758 -14.885 4.314 1.00 42.43 H new ATOM 0 HE2 PHE B -7 8.726 -15.860 1.413 1.00 14.30 H new ATOM 0 HZ PHE B -7 6.357 -15.647 2.050 1.00 72.43 H new ATOM 1961 N ILE B -6 11.772 -13.882 7.875 1.00 11.24 N ATOM 1962 CA ILE B -6 12.922 -13.459 8.665 1.00 51.52 C ATOM 1963 C ILE B -6 14.222 -13.994 8.074 1.00 54.15 C ATOM 1964 O ILE B -6 14.797 -14.969 8.557 1.00 4.21 O ATOM 1965 CB ILE B -6 12.805 -13.928 10.127 1.00 55.11 C ATOM 1966 CG1 ILE B -6 11.403 -13.639 10.667 1.00 15.23 C ATOM 1967 CG2 ILE B -6 13.860 -13.249 10.987 1.00 30.33 C ATOM 1968 CD1 ILE B -6 11.012 -12.180 10.583 1.00 15.04 C ATOM 0 H ILE B -6 11.137 -13.127 7.616 1.00 11.24 H new ATOM 0 HA ILE B -6 12.936 -12.369 8.642 1.00 51.52 H new ATOM 0 HB ILE B -6 12.973 -15.004 10.163 1.00 55.11 H new ATOM 0 HG12 ILE B -6 10.678 -14.234 10.111 1.00 15.23 H new ATOM 0 HG13 ILE B -6 11.349 -13.962 11.707 1.00 15.23 H new ATOM 0 HG21 ILE B -6 13.764 -13.591 12.018 1.00 30.33 H new ATOM 0 HG22 ILE B -6 14.852 -13.500 10.612 1.00 30.33 H new ATOM 0 HG23 ILE B -6 13.721 -12.169 10.949 1.00 30.33 H new ATOM 0 HD11 ILE B -6 10.007 -12.049 10.983 1.00 15.04 H new ATOM 0 HD12 ILE B -6 11.714 -11.581 11.163 1.00 15.04 H new ATOM 0 HD13 ILE B -6 11.033 -11.857 9.542 1.00 15.04 H new ATOM 1980 N PRO B -5 14.697 -13.341 7.003 1.00 64.44 N ATOM 1981 CA PRO B -5 15.936 -13.732 6.323 1.00 21.52 C ATOM 1982 C PRO B -5 17.174 -13.450 7.167 1.00 22.44 C ATOM 1983 O PRO B -5 17.681 -12.329 7.188 1.00 14.33 O ATOM 1984 CB PRO B -5 15.939 -12.864 5.063 1.00 51.31 C ATOM 1985 CG PRO B -5 15.116 -11.675 5.421 1.00 53.34 C ATOM 1986 CD PRO B -5 14.063 -12.171 6.373 1.00 61.11 C ATOM 0 HA PRO B -5 15.969 -14.802 6.119 1.00 21.52 H new ATOM 0 HB2 PRO B -5 16.952 -12.575 4.784 1.00 51.31 H new ATOM 0 HB3 PRO B -5 15.514 -13.398 4.213 1.00 51.31 H new ATOM 0 HG2 PRO B -5 15.729 -10.902 5.885 1.00 53.34 H new ATOM 0 HG3 PRO B -5 14.663 -11.233 4.534 1.00 53.34 H new ATOM 0 HD2 PRO B -5 13.798 -11.413 7.109 1.00 61.11 H new ATOM 0 HD3 PRO B -5 13.146 -12.443 5.851 1.00 61.11 H new ATOM 1994 N SER B -4 17.657 -14.476 7.862 1.00 3.51 N ATOM 1995 CA SER B -4 18.835 -14.337 8.711 1.00 52.41 C ATOM 1996 C SER B -4 20.093 -14.779 7.971 1.00 44.34 C ATOM 1997 O SER B -4 21.187 -14.794 8.536 1.00 14.35 O ATOM 1998 CB SER B -4 18.667 -15.158 9.991 1.00 70.14 C ATOM 1999 OG SER B -4 19.868 -15.183 10.742 1.00 63.12 O ATOM 0 H SER B -4 17.251 -15.412 7.854 1.00 3.51 H new ATOM 0 HA SER B -4 18.941 -13.285 8.974 1.00 52.41 H new ATOM 0 HB2 SER B -4 17.865 -14.735 10.596 1.00 70.14 H new ATOM 0 HB3 SER B -4 18.372 -16.176 9.738 1.00 70.14 H new ATOM 0 HG SER B -4 20.619 -14.926 10.167 1.00 63.12 H new ATOM 2005 N ARG B -3 19.930 -15.138 6.702 1.00 62.34 N ATOM 2006 CA ARG B -3 21.052 -15.582 5.883 1.00 30.31 C ATOM 2007 C ARG B -3 22.200 -14.579 5.944 1.00 22.23 C ATOM 2008 O ARG B -3 22.029 -13.425 6.337 1.00 34.24 O ATOM 2009 CB ARG B -3 20.607 -15.776 4.432 1.00 30.33 C ATOM 2010 CG ARG B -3 20.387 -17.231 4.052 1.00 20.42 C ATOM 2011 CD ARG B -3 19.362 -17.895 4.959 1.00 64.22 C ATOM 2012 NE ARG B -3 18.639 -18.965 4.276 1.00 11.41 N ATOM 2013 CZ ARG B -3 17.610 -18.753 3.464 1.00 74.25 C ATOM 2014 NH1 ARG B -3 17.185 -17.518 3.233 1.00 24.30 N ATOM 2015 NH2 ARG B -3 17.003 -19.778 2.879 1.00 33.20 N ATOM 0 H ARG B -3 19.032 -15.130 6.218 1.00 62.34 H new ATOM 0 HA ARG B -3 21.403 -16.535 6.279 1.00 30.31 H new ATOM 0 HB2 ARG B -3 19.683 -15.222 4.267 1.00 30.33 H new ATOM 0 HB3 ARG B -3 21.358 -15.346 3.770 1.00 30.33 H new ATOM 0 HG2 ARG B -3 20.051 -17.291 3.017 1.00 20.42 H new ATOM 0 HG3 ARG B -3 21.332 -17.771 4.113 1.00 20.42 H new ATOM 0 HD2 ARG B -3 19.864 -18.300 5.838 1.00 64.22 H new ATOM 0 HD3 ARG B -3 18.653 -17.147 5.313 1.00 64.22 H new ATOM 0 HE ARG B -3 18.941 -19.927 4.431 1.00 11.41 H new ATOM 0 HH11 ARG B -3 17.649 -16.727 3.680 1.00 24.30 H new ATOM 0 HH12 ARG B -3 16.394 -17.359 2.609 1.00 24.30 H new ATOM 0 HH21 ARG B -3 17.327 -20.729 3.053 1.00 33.20 H new ATOM 0 HH22 ARG B -3 16.213 -19.614 2.255 1.00 33.20 H new ATOM 2029 N PRO B -2 23.400 -15.028 5.547 1.00 22.01 N ATOM 2030 CA PRO B -2 24.600 -14.186 5.548 1.00 62.04 C ATOM 2031 C PRO B -2 24.545 -13.098 4.481 1.00 41.30 C ATOM 2032 O PRO B -2 25.285 -12.117 4.543 1.00 2.52 O ATOM 2033 CB PRO B -2 25.728 -15.176 5.244 1.00 11.52 C ATOM 2034 CG PRO B -2 25.068 -16.286 4.503 1.00 71.52 C ATOM 2035 CD PRO B -2 23.678 -16.392 5.066 1.00 12.14 C ATOM 0 HA PRO B -2 24.724 -13.654 6.491 1.00 62.04 H new ATOM 0 HB2 PRO B -2 26.512 -14.712 4.646 1.00 11.52 H new ATOM 0 HB3 PRO B -2 26.197 -15.535 6.160 1.00 11.52 H new ATOM 0 HG2 PRO B -2 25.041 -16.079 3.433 1.00 71.52 H new ATOM 0 HG3 PRO B -2 25.614 -17.221 4.633 1.00 71.52 H new ATOM 0 HD2 PRO B -2 22.960 -16.705 4.308 1.00 12.14 H new ATOM 0 HD3 PRO B -2 23.626 -17.122 5.874 1.00 12.14 H new ATOM 2043 N ALA B -1 23.663 -13.278 3.503 1.00 1.13 N ATOM 2044 CA ALA B -1 23.510 -12.310 2.424 1.00 1.35 C ATOM 2045 C ALA B -1 24.783 -12.211 1.591 1.00 60.03 C ATOM 2046 O ALA B -1 25.627 -11.340 1.803 1.00 52.23 O ATOM 2047 CB ALA B -1 23.139 -10.946 2.988 1.00 52.01 C ATOM 0 H ALA B -1 23.044 -14.086 3.436 1.00 1.13 H new ATOM 0 HA ALA B -1 22.706 -12.653 1.772 1.00 1.35 H new ATOM 0 HB1 ALA B -1 23.028 -10.233 2.171 1.00 52.01 H new ATOM 0 HB2 ALA B -1 22.199 -11.022 3.534 1.00 52.01 H new ATOM 0 HB3 ALA B -1 23.924 -10.605 3.663 1.00 52.01 H new ATOM 2053 N PRO B 0 24.928 -13.125 0.620 1.00 54.25 N ATOM 2054 CA PRO B 0 26.096 -13.161 -0.266 1.00 34.34 C ATOM 2055 C PRO B 0 26.126 -11.984 -1.234 1.00 40.20 C ATOM 2056 O PRO B 0 25.094 -11.580 -1.770 1.00 33.21 O ATOM 2057 CB PRO B 0 25.921 -14.477 -1.029 1.00 5.25 C ATOM 2058 CG PRO B 0 24.455 -14.740 -1.000 1.00 64.02 C ATOM 2059 CD PRO B 0 23.962 -14.192 0.310 1.00 34.33 C ATOM 0 HA PRO B 0 27.031 -13.095 0.290 1.00 34.34 H new ATOM 0 HB2 PRO B 0 26.288 -14.393 -2.052 1.00 5.25 H new ATOM 0 HB3 PRO B 0 26.478 -15.286 -0.556 1.00 5.25 H new ATOM 0 HG2 PRO B 0 23.955 -14.255 -1.839 1.00 64.02 H new ATOM 0 HG3 PRO B 0 24.248 -15.807 -1.079 1.00 64.02 H new ATOM 0 HD2 PRO B 0 22.947 -13.803 0.226 1.00 34.33 H new ATOM 0 HD3 PRO B 0 23.947 -14.958 1.086 1.00 34.33 H new ATOM 2067 N LYS B 1 27.316 -11.436 -1.455 1.00 63.20 N ATOM 2068 CA LYS B 1 27.483 -10.306 -2.361 1.00 14.44 C ATOM 2069 C LYS B 1 27.355 -10.750 -3.814 1.00 43.44 C ATOM 2070 O LYS B 1 27.493 -11.928 -4.143 1.00 24.10 O ATOM 2071 CB LYS B 1 28.843 -9.642 -2.136 1.00 42.03 C ATOM 2072 CG LYS B 1 28.830 -8.579 -1.051 1.00 61.31 C ATOM 2073 CD LYS B 1 30.238 -8.145 -0.679 1.00 32.01 C ATOM 2074 CE LYS B 1 30.997 -9.259 0.026 1.00 14.33 C ATOM 2075 NZ LYS B 1 32.313 -8.792 0.544 1.00 73.04 N ATOM 0 H LYS B 1 28.180 -11.757 -1.018 1.00 63.20 H new ATOM 0 HA LYS B 1 26.694 -9.584 -2.150 1.00 14.44 H new ATOM 0 HB2 LYS B 1 29.573 -10.408 -1.873 1.00 42.03 H new ATOM 0 HB3 LYS B 1 29.177 -9.191 -3.071 1.00 42.03 H new ATOM 0 HG2 LYS B 1 28.261 -7.715 -1.394 1.00 61.31 H new ATOM 0 HG3 LYS B 1 28.322 -8.966 -0.168 1.00 61.31 H new ATOM 0 HD2 LYS B 1 30.778 -7.848 -1.578 1.00 32.01 H new ATOM 0 HD3 LYS B 1 30.191 -7.269 -0.032 1.00 32.01 H new ATOM 0 HE2 LYS B 1 30.397 -9.641 0.852 1.00 14.33 H new ATOM 0 HE3 LYS B 1 31.152 -10.087 -0.666 1.00 14.33 H new ATOM 0 HZ1 LYS B 1 32.799 -9.580 1.017 1.00 73.04 H new ATOM 0 HZ2 LYS B 1 32.896 -8.450 -0.247 1.00 73.04 H new ATOM 0 HZ3 LYS B 1 32.164 -8.019 1.223 1.00 73.04 H new ATOM 2089 N PRO B 2 27.087 -9.785 -4.707 1.00 60.32 N ATOM 2090 CA PRO B 2 26.937 -10.053 -6.141 1.00 24.13 C ATOM 2091 C PRO B 2 28.259 -10.432 -6.801 1.00 32.34 C ATOM 2092 O PRO B 2 29.336 -10.270 -6.227 1.00 10.21 O ATOM 2093 CB PRO B 2 26.423 -8.723 -6.698 1.00 65.42 C ATOM 2094 CG PRO B 2 26.910 -7.696 -5.736 1.00 10.34 C ATOM 2095 CD PRO B 2 26.910 -8.359 -4.386 1.00 74.22 C ATOM 0 HA PRO B 2 26.273 -10.896 -6.331 1.00 24.13 H new ATOM 0 HB2 PRO B 2 26.807 -8.539 -7.701 1.00 65.42 H new ATOM 0 HB3 PRO B 2 25.335 -8.717 -6.767 1.00 65.42 H new ATOM 0 HG2 PRO B 2 27.910 -7.355 -6.003 1.00 10.34 H new ATOM 0 HG3 PRO B 2 26.262 -6.819 -5.740 1.00 10.34 H new ATOM 0 HD2 PRO B 2 27.717 -7.986 -3.755 1.00 74.22 H new ATOM 0 HD3 PRO B 2 25.978 -8.180 -3.850 1.00 74.22 H new ATOM 2103 N PRO B 3 28.178 -10.950 -8.035 1.00 54.54 N ATOM 2104 CA PRO B 3 29.358 -11.361 -8.800 1.00 63.54 C ATOM 2105 C PRO B 3 30.203 -10.173 -9.248 1.00 32.23 C ATOM 2106 O PRO B 3 31.424 -10.277 -9.366 1.00 13.33 O ATOM 2107 CB PRO B 3 28.762 -12.080 -10.013 1.00 61.51 C ATOM 2108 CG PRO B 3 27.402 -11.494 -10.170 1.00 74.11 C ATOM 2109 CD PRO B 3 26.927 -11.172 -8.780 1.00 52.42 C ATOM 0 HA PRO B 3 30.031 -11.981 -8.207 1.00 63.54 H new ATOM 0 HB2 PRO B 3 29.367 -11.920 -10.905 1.00 61.51 H new ATOM 0 HB3 PRO B 3 28.713 -13.157 -9.850 1.00 61.51 H new ATOM 0 HG2 PRO B 3 27.432 -10.598 -10.789 1.00 74.11 H new ATOM 0 HG3 PRO B 3 26.728 -12.197 -10.660 1.00 74.11 H new ATOM 0 HD2 PRO B 3 26.290 -10.288 -8.768 1.00 52.42 H new ATOM 0 HD3 PRO B 3 26.346 -11.990 -8.354 1.00 52.42 H new