USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1048 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 17 ASN : amide:sc= -2.14! C(o=0.15!,f=-9.3!) USER MOD Set 1.2: B 18 LYS NZ :NH3+ -174:sc= 2.29 (180deg=1.15) USER MOD Set 2.1: A 17 ASN : amide:sc= -2.09! C(o=0.18!,f=-9.1!) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -178:sc= 2.28 (180deg=1.16) USER MOD Single : A 15 MET CE :methyl -162:sc= -0.0979 (180deg=-0.504) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.11) USER MOD Single : A 23 TYR OH : rot -30:sc= 0.871 USER MOD Single : A 27 GLN : amide:sc= -0.842 K(o=-0.84,f=-0.087) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.53! C(o=-3.5!,f=-5.7!) USER MOD Single : A 35 HIS : no HE2:sc= 0.291 K(o=0.29,f=-1.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.72! K(o=-1.7!,f=-1.1) USER MOD Single : A 45 SER OG : rot -126:sc= 0.763 USER MOD Single : A 51 GLN : amide:sc= -0.818 K(o=-0.82,f=-0.12) USER MOD Single : A 52 CYS SG : rot 88:sc= 1.23 USER MOD Single : A 55 THR OG1 : rot 84:sc= 0.537 USER MOD Single : A 60 THR OG1 : rot -117:sc= -6.04! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0565 X(o=-0.057,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 81 THR OG1 : rot -103:sc= 1.28 USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0243 (180deg=-0.299) USER MOD Single : B 15 MET CE :methyl -163:sc= -0.106 (180deg=-0.474) USER MOD Single : B 19 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.19) USER MOD Single : B 23 TYR OH : rot -30:sc= 0.926 USER MOD Single : B 27 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.11) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : B 32 GLN : amide:sc= -3.49! C(o=-3.5!,f=-6.1!) USER MOD Single : B 35 HIS : no HE2:sc= 0.262 K(o=0.26,f=-1) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -1.65! K(o=-1.7!,f=-1.1) USER MOD Single : B 45 SER OG : rot -123:sc= 0.871 USER MOD Single : B 51 GLN : amide:sc= -0.848 K(o=-0.85,f=-0.13) USER MOD Single : B 52 CYS SG : rot 84:sc= 1.29 USER MOD Single : B 55 THR OG1 : rot 84:sc= 0.523 USER MOD Single : B 60 THR OG1 : rot -113:sc= -5.79! USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : B 71 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : B 81 THR OG1 : rot -127:sc= 1.29 USER MOD Single : B 83 LYS NZ :NH3+ -166:sc= -0.0454 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 14.846 8.758 -5.786 1.00 2.26 N ATOM 2 CA MET A 15 14.524 8.270 -4.427 1.00 1.69 C ATOM 3 C MET A 15 13.494 7.149 -4.495 1.00 1.42 C ATOM 4 O MET A 15 12.504 7.248 -5.219 1.00 1.57 O ATOM 5 CB MET A 15 13.988 9.415 -3.564 1.00 1.82 C ATOM 6 CG MET A 15 13.656 9.004 -2.138 1.00 2.22 C ATOM 7 SD MET A 15 12.942 10.352 -1.174 1.00 3.04 S ATOM 8 CE MET A 15 14.289 11.532 -1.177 1.00 3.68 C ATOM 0 HA MET A 15 15.438 7.883 -3.976 1.00 1.69 H new ATOM 0 HB2 MET A 15 14.727 10.216 -3.539 1.00 1.82 H new ATOM 0 HB3 MET A 15 13.092 9.823 -4.033 1.00 1.82 H new ATOM 0 HG2 MET A 15 12.957 8.168 -2.158 1.00 2.22 H new ATOM 0 HG3 MET A 15 14.562 8.651 -1.646 1.00 2.22 H new ATOM 0 HE1 MET A 15 14.138 12.259 -0.379 1.00 3.68 H new ATOM 0 HE2 MET A 15 15.232 11.009 -1.017 1.00 3.68 H new ATOM 0 HE3 MET A 15 14.319 12.048 -2.137 1.00 3.68 H new ATOM 20 N ASP A 16 13.738 6.088 -3.740 1.00 1.26 N ATOM 21 CA ASP A 16 12.814 4.964 -3.664 1.00 1.13 C ATOM 22 C ASP A 16 11.648 5.308 -2.745 1.00 0.92 C ATOM 23 O ASP A 16 11.669 5.008 -1.552 1.00 1.01 O ATOM 24 CB ASP A 16 13.530 3.711 -3.152 1.00 1.39 C ATOM 25 CG ASP A 16 14.500 3.121 -4.155 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.072 2.301 -4.993 1.00 2.28 O ATOM 27 OD2 ASP A 16 15.703 3.455 -4.097 1.00 2.40 O ATOM 0 H ASP A 16 14.575 5.981 -3.167 1.00 1.26 H new ATOM 0 HA ASP A 16 12.433 4.762 -4.665 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.070 3.958 -2.238 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.787 2.958 -2.890 1.00 1.39 H new ATOM 32 N ASN A 17 10.634 5.955 -3.297 1.00 0.78 N ATOM 33 CA ASN A 17 9.516 6.426 -2.491 1.00 0.74 C ATOM 34 C ASN A 17 8.437 5.360 -2.329 1.00 0.61 C ATOM 35 O ASN A 17 7.580 5.478 -1.457 1.00 0.65 O ATOM 36 CB ASN A 17 8.901 7.693 -3.096 1.00 0.92 C ATOM 37 CG ASN A 17 8.129 7.432 -4.376 1.00 1.56 C ATOM 38 OD1 ASN A 17 8.688 7.468 -5.472 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.834 7.177 -4.247 1.00 1.71 N ATOM 0 H ASN A 17 10.561 6.166 -4.292 1.00 0.78 H new ATOM 0 HA ASN A 17 9.916 6.655 -1.503 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.235 8.150 -2.365 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.694 8.413 -3.298 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.264 7.002 -5.074 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.408 7.156 -3.320 1.00 1.71 H new ATOM 46 N LYS A 18 8.478 4.318 -3.152 1.00 0.59 N ATOM 47 CA LYS A 18 7.428 3.301 -3.127 1.00 0.62 C ATOM 48 C LYS A 18 7.625 2.353 -1.947 1.00 0.53 C ATOM 49 O LYS A 18 6.661 1.852 -1.371 1.00 0.48 O ATOM 50 CB LYS A 18 7.369 2.502 -4.439 1.00 0.82 C ATOM 51 CG LYS A 18 6.923 3.304 -5.659 1.00 1.09 C ATOM 52 CD LYS A 18 8.011 4.236 -6.166 1.00 1.04 C ATOM 53 CE LYS A 18 7.565 4.990 -7.407 1.00 1.44 C ATOM 54 NZ LYS A 18 8.592 5.962 -7.865 1.00 1.90 N ATOM 0 H LYS A 18 9.216 4.154 -3.837 1.00 0.59 H new ATOM 0 HA LYS A 18 6.478 3.824 -3.013 1.00 0.62 H new ATOM 0 HB2 LYS A 18 8.356 2.084 -4.638 1.00 0.82 H new ATOM 0 HB3 LYS A 18 6.688 1.662 -4.306 1.00 0.82 H new ATOM 0 HG2 LYS A 18 6.634 2.619 -6.456 1.00 1.09 H new ATOM 0 HG3 LYS A 18 6.038 3.887 -5.404 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.277 4.947 -5.383 1.00 1.04 H new ATOM 0 HD3 LYS A 18 8.909 3.660 -6.392 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.355 4.280 -8.207 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.635 5.517 -7.196 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.235 6.480 -8.693 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.799 6.635 -7.099 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.461 5.453 -8.123 1.00 1.90 H new ATOM 68 N LYS A 19 8.874 2.116 -1.581 1.00 0.60 N ATOM 69 CA LYS A 19 9.175 1.274 -0.432 1.00 0.61 C ATOM 70 C LYS A 19 8.789 1.976 0.868 1.00 0.53 C ATOM 71 O LYS A 19 8.149 1.383 1.730 1.00 0.55 O ATOM 72 CB LYS A 19 10.653 0.890 -0.415 1.00 0.77 C ATOM 73 CG LYS A 19 11.597 2.082 -0.485 1.00 0.82 C ATOM 74 CD LYS A 19 13.053 1.653 -0.502 1.00 1.19 C ATOM 75 CE LYS A 19 13.483 1.093 0.837 1.00 1.06 C ATOM 76 NZ LYS A 19 14.874 0.584 0.805 1.00 1.49 N ATOM 0 H LYS A 19 9.693 2.492 -2.059 1.00 0.60 H new ATOM 0 HA LYS A 19 8.585 0.361 -0.517 1.00 0.61 H new ATOM 0 HB2 LYS A 19 10.862 0.326 0.494 1.00 0.77 H new ATOM 0 HB3 LYS A 19 10.857 0.227 -1.256 1.00 0.77 H new ATOM 0 HG2 LYS A 19 11.380 2.664 -1.380 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.421 2.735 0.370 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.203 0.901 -1.277 1.00 1.19 H new ATOM 0 HD3 LYS A 19 13.681 2.506 -0.760 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.398 1.868 1.598 1.00 1.06 H new ATOM 0 HE3 LYS A 19 12.809 0.287 1.126 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.083 0.089 1.695 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 14.984 -0.075 0.008 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.533 1.381 0.689 1.00 1.49 H new ATOM 90 N ARG A 20 9.149 3.249 1.003 1.00 0.54 N ATOM 91 CA ARG A 20 8.782 3.997 2.199 1.00 0.58 C ATOM 92 C ARG A 20 7.268 4.190 2.233 1.00 0.54 C ATOM 93 O ARG A 20 6.668 4.392 3.287 1.00 0.61 O ATOM 94 CB ARG A 20 9.510 5.343 2.259 1.00 0.70 C ATOM 95 CG ARG A 20 11.025 5.205 2.208 1.00 0.82 C ATOM 96 CD ARG A 20 11.726 6.401 2.831 1.00 1.01 C ATOM 97 NE ARG A 20 11.359 7.669 2.200 1.00 1.31 N ATOM 98 CZ ARG A 20 12.110 8.769 2.264 1.00 1.45 C ATOM 99 NH1 ARG A 20 13.295 8.734 2.866 1.00 1.32 N ATOM 100 NH2 ARG A 20 11.682 9.901 1.722 1.00 2.34 N ATOM 0 H ARG A 20 9.684 3.776 0.313 1.00 0.54 H new ATOM 0 HA ARG A 20 9.088 3.428 3.077 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.180 5.965 1.427 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.229 5.861 3.176 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.324 4.296 2.731 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.345 5.097 1.172 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.483 6.446 3.893 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.805 6.263 2.757 1.00 1.01 H new ATOM 0 HE ARG A 20 10.481 7.714 1.683 1.00 1.31 H new ATOM 0 HH11 ARG A 20 13.631 7.865 3.280 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.868 9.577 2.914 1.00 1.32 H new ATOM 0 HH21 ARG A 20 10.776 9.932 1.254 1.00 2.34 H new ATOM 0 HH22 ARG A 20 12.259 10.741 1.773 1.00 2.34 H new ATOM 114 N LEU A 21 6.669 4.114 1.055 1.00 0.54 N ATOM 115 CA LEU A 21 5.224 4.089 0.908 1.00 0.59 C ATOM 116 C LEU A 21 4.640 2.851 1.596 1.00 0.57 C ATOM 117 O LEU A 21 3.862 2.966 2.545 1.00 0.64 O ATOM 118 CB LEU A 21 4.882 4.107 -0.591 1.00 0.64 C ATOM 119 CG LEU A 21 3.553 3.471 -1.004 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.386 4.218 -0.382 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.430 3.452 -2.518 1.00 0.61 C ATOM 0 H LEU A 21 7.175 4.068 0.170 1.00 0.54 H new ATOM 0 HA LEU A 21 4.784 4.965 1.385 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.881 5.144 -0.927 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.683 3.599 -1.128 1.00 0.64 H new ATOM 0 HG LEU A 21 3.531 2.444 -0.640 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.450 3.750 -0.688 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.470 4.185 0.704 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.399 5.256 -0.715 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.480 2.997 -2.800 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.471 4.472 -2.899 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.250 2.873 -2.942 1.00 0.61 H new ATOM 133 N ALA A 22 5.045 1.675 1.135 1.00 0.56 N ATOM 134 CA ALA A 22 4.495 0.425 1.641 1.00 0.63 C ATOM 135 C ALA A 22 4.930 0.148 3.076 1.00 0.51 C ATOM 136 O ALA A 22 4.156 -0.403 3.858 1.00 0.44 O ATOM 137 CB ALA A 22 4.886 -0.730 0.738 1.00 0.83 C ATOM 0 H ALA A 22 5.754 1.561 0.410 1.00 0.56 H new ATOM 0 HA ALA A 22 3.410 0.525 1.643 1.00 0.63 H new ATOM 0 HB1 ALA A 22 4.467 -1.657 1.130 1.00 0.83 H new ATOM 0 HB2 ALA A 22 4.500 -0.554 -0.266 1.00 0.83 H new ATOM 0 HB3 ALA A 22 5.972 -0.811 0.700 1.00 0.83 H new ATOM 143 N TYR A 23 6.158 0.531 3.421 1.00 0.62 N ATOM 144 CA TYR A 23 6.672 0.325 4.775 1.00 0.76 C ATOM 145 C TYR A 23 5.726 0.949 5.801 1.00 0.67 C ATOM 146 O TYR A 23 5.387 0.335 6.813 1.00 0.67 O ATOM 147 CB TYR A 23 8.099 0.909 4.916 1.00 1.11 C ATOM 148 CG TYR A 23 8.235 1.986 5.979 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.483 1.659 7.306 1.00 1.46 C ATOM 150 CD2 TYR A 23 8.081 3.328 5.656 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.576 2.638 8.275 1.00 1.82 C ATOM 152 CE2 TYR A 23 8.163 4.309 6.620 1.00 2.48 C ATOM 153 CZ TYR A 23 8.409 3.960 7.926 1.00 2.23 C ATOM 154 OH TYR A 23 8.482 4.938 8.887 1.00 2.99 O ATOM 0 H TYR A 23 6.814 0.984 2.785 1.00 0.62 H new ATOM 0 HA TYR A 23 6.728 -0.747 4.964 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.789 0.098 5.148 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.405 1.323 3.955 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.605 0.623 7.584 1.00 1.46 H new ATOM 0 HD2 TYR A 23 7.893 3.608 4.630 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.779 2.369 9.301 1.00 1.82 H new ATOM 0 HE2 TYR A 23 8.035 5.347 6.350 1.00 2.48 H new ATOM 0 HH TYR A 23 8.181 4.576 9.746 1.00 2.99 H new ATOM 164 N ALA A 24 5.279 2.163 5.509 1.00 0.72 N ATOM 165 CA ALA A 24 4.427 2.903 6.420 1.00 0.87 C ATOM 166 C ALA A 24 3.030 2.310 6.457 1.00 0.75 C ATOM 167 O ALA A 24 2.378 2.281 7.502 1.00 0.84 O ATOM 168 CB ALA A 24 4.374 4.354 5.998 1.00 1.14 C ATOM 0 H ALA A 24 5.496 2.655 4.642 1.00 0.72 H new ATOM 0 HA ALA A 24 4.845 2.836 7.424 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.733 4.909 6.683 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.379 4.776 6.018 1.00 1.14 H new ATOM 0 HB3 ALA A 24 3.971 4.425 4.988 1.00 1.14 H new ATOM 174 N ILE A 25 2.576 1.839 5.308 1.00 0.62 N ATOM 175 CA ILE A 25 1.271 1.214 5.202 1.00 0.71 C ATOM 176 C ILE A 25 1.235 -0.078 6.002 1.00 0.61 C ATOM 177 O ILE A 25 0.279 -0.345 6.720 1.00 0.66 O ATOM 178 CB ILE A 25 0.908 0.946 3.729 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.786 2.275 2.992 1.00 0.97 C ATOM 180 CG2 ILE A 25 -0.384 0.147 3.614 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.408 2.127 1.543 1.00 0.89 C ATOM 0 H ILE A 25 3.096 1.879 4.431 1.00 0.62 H new ATOM 0 HA ILE A 25 0.531 1.900 5.614 1.00 0.71 H new ATOM 0 HB ILE A 25 1.700 0.350 3.275 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.039 2.891 3.493 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.735 2.807 3.059 1.00 0.97 H new ATOM 0 HG21 ILE A 25 -0.613 -0.026 2.562 1.00 0.91 H new ATOM 0 HG22 ILE A 25 -0.266 -0.810 4.122 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -1.199 0.705 4.076 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.339 3.113 1.082 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.166 1.537 1.028 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.556 1.624 1.468 1.00 0.89 H new ATOM 193 N ILE A 26 2.301 -0.857 5.897 1.00 0.53 N ATOM 194 CA ILE A 26 2.429 -2.093 6.654 1.00 0.53 C ATOM 195 C ILE A 26 2.364 -1.824 8.158 1.00 0.51 C ATOM 196 O ILE A 26 1.716 -2.562 8.900 1.00 0.53 O ATOM 197 CB ILE A 26 3.739 -2.820 6.289 1.00 0.58 C ATOM 198 CG1 ILE A 26 3.628 -3.389 4.868 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.057 -3.919 7.295 1.00 0.62 C ATOM 200 CD1 ILE A 26 4.915 -3.976 4.334 1.00 0.78 C ATOM 0 H ILE A 26 3.095 -0.653 5.290 1.00 0.53 H new ATOM 0 HA ILE A 26 1.591 -2.738 6.390 1.00 0.53 H new ATOM 0 HB ILE A 26 4.561 -2.105 6.322 1.00 0.58 H new ATOM 0 HG12 ILE A 26 2.858 -4.160 4.856 1.00 0.67 H new ATOM 0 HG13 ILE A 26 3.297 -2.597 4.196 1.00 0.67 H new ATOM 0 HG21 ILE A 26 4.986 -4.414 7.012 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.166 -3.483 8.288 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.246 -4.648 7.306 1.00 0.62 H new ATOM 0 HD11 ILE A 26 4.751 -4.356 3.326 1.00 0.78 H new ATOM 0 HD12 ILE A 26 5.685 -3.204 4.310 1.00 0.78 H new ATOM 0 HD13 ILE A 26 5.239 -4.792 4.981 1.00 0.78 H new ATOM 212 N GLN A 27 3.011 -0.747 8.594 1.00 0.54 N ATOM 213 CA GLN A 27 2.977 -0.346 9.998 1.00 0.62 C ATOM 214 C GLN A 27 1.548 -0.054 10.450 1.00 0.55 C ATOM 215 O GLN A 27 1.128 -0.475 11.529 1.00 0.57 O ATOM 216 CB GLN A 27 3.857 0.886 10.223 1.00 0.79 C ATOM 217 CG GLN A 27 5.346 0.604 10.100 1.00 0.89 C ATOM 218 CD GLN A 27 5.867 -0.275 11.223 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.304 0.221 12.262 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.820 -1.584 11.028 1.00 1.34 N ATOM 0 H GLN A 27 3.566 -0.135 7.995 1.00 0.54 H new ATOM 0 HA GLN A 27 3.364 -1.174 10.592 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.581 1.655 9.502 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.654 1.291 11.214 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.543 0.120 9.143 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.892 1.547 10.098 1.00 0.89 H new ATOM 0 HE21 GLN A 27 5.451 -1.956 10.153 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.153 -2.220 11.753 1.00 1.34 H new ATOM 229 N PHE A 28 0.801 0.654 9.609 1.00 0.52 N ATOM 230 CA PHE A 28 -0.572 1.024 9.930 1.00 0.51 C ATOM 231 C PHE A 28 -1.500 -0.186 9.855 1.00 0.43 C ATOM 232 O PHE A 28 -2.314 -0.408 10.750 1.00 0.42 O ATOM 233 CB PHE A 28 -1.061 2.124 8.986 1.00 0.60 C ATOM 234 CG PHE A 28 -2.488 2.530 9.222 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.829 3.293 10.326 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.487 2.147 8.340 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.140 3.666 10.548 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.799 2.518 8.557 1.00 1.95 C ATOM 239 CZ PHE A 28 -5.126 3.278 9.663 1.00 1.83 C ATOM 0 H PHE A 28 1.124 0.983 8.699 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.589 1.402 10.952 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.420 2.999 9.098 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.955 1.781 7.957 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.061 3.600 11.021 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -3.236 1.552 7.474 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.394 4.261 11.413 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.569 2.214 7.863 1.00 1.95 H new ATOM 0 HZ PHE A 28 -6.152 3.568 9.835 1.00 1.83 H new ATOM 249 N LEU A 29 -1.372 -0.967 8.789 1.00 0.45 N ATOM 250 CA LEU A 29 -2.199 -2.151 8.607 1.00 0.45 C ATOM 251 C LEU A 29 -1.988 -3.135 9.749 1.00 0.45 C ATOM 252 O LEU A 29 -2.948 -3.648 10.311 1.00 0.48 O ATOM 253 CB LEU A 29 -1.912 -2.833 7.266 1.00 0.53 C ATOM 254 CG LEU A 29 -2.768 -2.368 6.081 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.690 -0.860 5.893 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.337 -3.089 4.813 1.00 0.70 C ATOM 0 H LEU A 29 -0.703 -0.801 8.038 1.00 0.45 H new ATOM 0 HA LEU A 29 -3.240 -1.827 8.607 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.863 -2.673 7.016 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -2.050 -3.907 7.390 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.807 -2.617 6.296 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.309 -0.567 5.045 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -3.049 -0.362 6.794 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.656 -0.570 5.706 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.950 -2.753 3.977 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.290 -2.868 4.607 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.462 -4.164 4.945 1.00 0.70 H new ATOM 268 N HIS A 30 -0.732 -3.373 10.109 1.00 0.47 N ATOM 269 CA HIS A 30 -0.416 -4.259 11.226 1.00 0.53 C ATOM 270 C HIS A 30 -1.112 -3.778 12.499 1.00 0.47 C ATOM 271 O HIS A 30 -1.602 -4.580 13.295 1.00 0.49 O ATOM 272 CB HIS A 30 1.098 -4.324 11.447 1.00 0.67 C ATOM 273 CG HIS A 30 1.505 -5.173 12.614 1.00 0.93 C ATOM 274 ND1 HIS A 30 1.919 -4.647 13.817 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.564 -6.517 12.756 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.216 -5.628 14.645 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.011 -6.775 14.027 1.00 1.41 N ATOM 0 H HIS A 30 0.082 -2.967 9.647 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.776 -5.259 10.985 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.571 -4.713 10.545 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.478 -3.313 11.596 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.307 -7.251 12.007 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.568 -5.512 15.659 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.160 -7.701 14.428 1.00 1.41 H new ATOM 286 N ASP A 31 -1.160 -2.464 12.667 1.00 0.48 N ATOM 287 CA ASP A 31 -1.787 -1.857 13.831 1.00 0.51 C ATOM 288 C ASP A 31 -3.300 -2.041 13.787 1.00 0.45 C ATOM 289 O ASP A 31 -3.913 -2.471 14.766 1.00 0.49 O ATOM 290 CB ASP A 31 -1.446 -0.366 13.900 1.00 0.63 C ATOM 291 CG ASP A 31 -2.023 0.305 15.129 1.00 1.24 C ATOM 292 OD1 ASP A 31 -3.169 0.803 15.058 1.00 1.79 O ATOM 293 OD2 ASP A 31 -1.333 0.336 16.172 1.00 1.98 O ATOM 0 H ASP A 31 -0.768 -1.794 12.005 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.402 -2.353 14.722 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.363 -0.244 13.898 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.824 0.132 13.007 1.00 0.63 H new ATOM 298 N GLN A 32 -3.896 -1.732 12.640 1.00 0.42 N ATOM 299 CA GLN A 32 -5.341 -1.830 12.480 1.00 0.43 C ATOM 300 C GLN A 32 -5.793 -3.284 12.585 1.00 0.38 C ATOM 301 O GLN A 32 -6.880 -3.567 13.085 1.00 0.43 O ATOM 302 CB GLN A 32 -5.788 -1.225 11.142 1.00 0.52 C ATOM 303 CG GLN A 32 -5.577 -2.142 9.949 1.00 0.57 C ATOM 304 CD GLN A 32 -5.860 -1.476 8.619 1.00 1.17 C ATOM 305 OE1 GLN A 32 -5.277 -1.831 7.604 1.00 1.92 O ATOM 306 NE2 GLN A 32 -6.757 -0.506 8.607 1.00 1.31 N ATOM 0 H GLN A 32 -3.400 -1.412 11.808 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.809 -1.261 13.283 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -6.845 -0.967 11.207 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -5.243 -0.296 10.974 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -4.548 -2.502 9.955 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.221 -3.015 10.054 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -7.225 -0.234 9.471 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -6.981 -0.029 7.734 1.00 1.31 H new ATOM 315 N LEU A 33 -4.951 -4.204 12.120 1.00 0.36 N ATOM 316 CA LEU A 33 -5.254 -5.625 12.200 1.00 0.42 C ATOM 317 C LEU A 33 -5.373 -6.061 13.653 1.00 0.46 C ATOM 318 O LEU A 33 -6.334 -6.723 14.032 1.00 0.54 O ATOM 319 CB LEU A 33 -4.183 -6.465 11.493 1.00 0.53 C ATOM 320 CG LEU A 33 -4.079 -6.272 9.974 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.106 -7.276 9.382 1.00 1.22 C ATOM 322 CD2 LEU A 33 -5.450 -6.391 9.322 1.00 0.83 C ATOM 0 H LEU A 33 -4.054 -3.988 11.684 1.00 0.36 H new ATOM 0 HA LEU A 33 -6.206 -5.789 11.695 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.215 -6.234 11.937 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -4.382 -7.518 11.694 1.00 0.53 H new ATOM 0 HG LEU A 33 -3.700 -5.270 9.775 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.042 -7.128 8.304 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.121 -7.134 9.827 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -3.456 -8.287 9.589 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.354 -6.251 8.245 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.865 -7.379 9.524 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -6.114 -5.629 9.729 1.00 0.83 H new ATOM 334 N ARG A 34 -4.409 -5.658 14.470 1.00 0.47 N ATOM 335 CA ARG A 34 -4.406 -6.036 15.878 1.00 0.58 C ATOM 336 C ARG A 34 -5.546 -5.353 16.627 1.00 0.58 C ATOM 337 O ARG A 34 -6.048 -5.876 17.622 1.00 0.69 O ATOM 338 CB ARG A 34 -3.067 -5.693 16.532 1.00 0.69 C ATOM 339 CG ARG A 34 -1.874 -6.405 15.909 1.00 1.40 C ATOM 340 CD ARG A 34 -2.070 -7.912 15.877 1.00 1.45 C ATOM 341 NE ARG A 34 -0.864 -8.610 15.434 1.00 2.17 N ATOM 342 CZ ARG A 34 -0.775 -9.319 14.307 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.821 -9.439 13.497 1.00 2.19 N ATOM 344 NH2 ARG A 34 0.365 -9.919 13.993 1.00 3.49 N ATOM 0 H ARG A 34 -3.623 -5.073 14.185 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.552 -7.115 15.933 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.908 -4.616 16.469 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.116 -5.946 17.591 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.720 -6.037 14.895 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -0.973 -6.168 16.475 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.348 -8.263 16.871 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -2.897 -8.156 15.210 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.035 -8.551 16.026 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.704 -8.987 13.734 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.741 -9.983 12.638 1.00 2.19 H new ATOM 0 HH21 ARG A 34 1.171 -9.838 14.612 1.00 3.49 H new ATOM 0 HH22 ARG A 34 0.436 -10.462 13.132 1.00 3.49 H new ATOM 358 N HIS A 35 -5.964 -4.192 16.135 1.00 0.53 N ATOM 359 CA HIS A 35 -7.070 -3.459 16.745 1.00 0.58 C ATOM 360 C HIS A 35 -8.415 -3.912 16.185 1.00 0.58 C ATOM 361 O HIS A 35 -9.459 -3.354 16.522 1.00 0.74 O ATOM 362 CB HIS A 35 -6.903 -1.951 16.546 1.00 0.59 C ATOM 363 CG HIS A 35 -5.863 -1.339 17.432 1.00 1.15 C ATOM 364 ND1 HIS A 35 -4.790 -0.619 16.957 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.750 -1.332 18.781 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.062 -0.199 17.972 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.623 -0.617 19.089 1.00 2.42 N ATOM 0 H HIS A 35 -5.556 -3.738 15.318 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.052 -3.677 17.813 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.641 -1.757 15.506 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.859 -1.461 16.730 1.00 0.59 H new ATOM 0 HD1 HIS A 35 -4.590 -0.439 15.973 1.00 1.98 H new ATOM 0 HD2 HIS A 35 -6.423 -1.802 19.483 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.159 0.388 17.901 1.00 2.68 H new ATOM 376 N GLY A 36 -8.380 -4.920 15.319 1.00 0.49 N ATOM 377 CA GLY A 36 -9.600 -5.481 14.770 1.00 0.51 C ATOM 378 C GLY A 36 -10.326 -4.530 13.839 1.00 0.47 C ATOM 379 O GLY A 36 -11.558 -4.511 13.803 1.00 0.53 O ATOM 0 H GLY A 36 -7.522 -5.360 14.986 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.361 -6.397 14.230 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.265 -5.758 15.588 1.00 0.51 H new ATOM 383 N GLY A 37 -9.566 -3.735 13.098 1.00 0.41 N ATOM 384 CA GLY A 37 -10.155 -2.805 12.152 1.00 0.40 C ATOM 385 C GLY A 37 -10.888 -3.519 11.038 1.00 0.39 C ATOM 386 O GLY A 37 -12.058 -3.244 10.774 1.00 0.52 O ATOM 0 H GLY A 37 -8.547 -3.717 13.135 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.846 -2.144 12.675 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.373 -2.176 11.727 1.00 0.40 H new ATOM 390 N LEU A 38 -10.199 -4.435 10.379 1.00 0.36 N ATOM 391 CA LEU A 38 -10.811 -5.252 9.342 1.00 0.41 C ATOM 392 C LEU A 38 -11.348 -6.538 9.956 1.00 0.49 C ATOM 393 O LEU A 38 -10.832 -7.005 10.976 1.00 0.83 O ATOM 394 CB LEU A 38 -9.801 -5.576 8.227 1.00 0.44 C ATOM 395 CG LEU A 38 -9.499 -4.442 7.231 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.771 -3.978 6.536 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.814 -3.272 7.916 1.00 0.47 C ATOM 0 H LEU A 38 -9.212 -4.633 10.544 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.633 -4.692 8.898 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.864 -5.882 8.692 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.173 -6.434 7.667 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.817 -4.839 6.479 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.532 -3.176 5.837 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.214 -4.813 5.993 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.479 -3.612 7.280 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.615 -2.488 7.185 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.461 -2.880 8.701 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.874 -3.607 8.355 1.00 0.47 H new ATOM 409 N SER A 39 -12.386 -7.096 9.341 1.00 0.47 N ATOM 410 CA SER A 39 -13.009 -8.316 9.836 1.00 0.54 C ATOM 411 C SER A 39 -12.030 -9.481 9.734 1.00 0.48 C ATOM 412 O SER A 39 -11.114 -9.437 8.925 1.00 0.46 O ATOM 413 CB SER A 39 -14.287 -8.611 9.046 1.00 0.67 C ATOM 414 OG SER A 39 -15.035 -9.655 9.647 1.00 1.42 O ATOM 0 H SER A 39 -12.814 -6.720 8.495 1.00 0.47 H new ATOM 0 HA SER A 39 -13.276 -8.181 10.884 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.898 -7.710 8.988 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.029 -8.887 8.024 1.00 0.67 H new ATOM 0 HG SER A 39 -15.846 -9.820 9.122 1.00 1.42 H new ATOM 420 N SER A 40 -12.251 -10.518 10.540 1.00 0.60 N ATOM 421 CA SER A 40 -11.297 -11.620 10.713 1.00 0.61 C ATOM 422 C SER A 40 -10.677 -12.120 9.398 1.00 0.53 C ATOM 423 O SER A 40 -9.453 -12.250 9.301 1.00 0.50 O ATOM 424 CB SER A 40 -11.982 -12.769 11.452 1.00 0.77 C ATOM 425 OG SER A 40 -13.286 -13.000 10.942 1.00 1.63 O ATOM 0 H SER A 40 -13.100 -10.621 11.096 1.00 0.60 H new ATOM 0 HA SER A 40 -10.465 -11.229 11.299 1.00 0.61 H new ATOM 0 HB2 SER A 40 -11.384 -13.675 11.355 1.00 0.77 H new ATOM 0 HB3 SER A 40 -12.040 -12.538 12.516 1.00 0.77 H new ATOM 0 HG SER A 40 -13.702 -13.741 11.430 1.00 1.63 H new ATOM 431 N ASP A 41 -11.505 -12.386 8.391 1.00 0.57 N ATOM 432 CA ASP A 41 -11.005 -12.881 7.104 1.00 0.58 C ATOM 433 C ASP A 41 -10.071 -11.867 6.457 1.00 0.53 C ATOM 434 O ASP A 41 -8.938 -12.190 6.094 1.00 0.56 O ATOM 435 CB ASP A 41 -12.159 -13.194 6.152 1.00 0.71 C ATOM 436 CG ASP A 41 -11.677 -13.648 4.786 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.370 -14.848 4.626 1.00 1.69 O ATOM 438 OD2 ASP A 41 -11.608 -12.808 3.863 1.00 2.20 O ATOM 0 H ASP A 41 -12.517 -12.270 8.436 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.450 -13.799 7.300 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.786 -13.971 6.589 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.783 -12.307 6.038 1.00 0.71 H new ATOM 443 N ALA A 42 -10.553 -10.639 6.329 1.00 0.51 N ATOM 444 CA ALA A 42 -9.771 -9.554 5.750 1.00 0.51 C ATOM 445 C ALA A 42 -8.554 -9.244 6.613 1.00 0.47 C ATOM 446 O ALA A 42 -7.485 -8.904 6.106 1.00 0.52 O ATOM 447 CB ALA A 42 -10.641 -8.315 5.606 1.00 0.54 C ATOM 0 H ALA A 42 -11.492 -10.367 6.621 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.420 -9.864 4.766 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.053 -7.506 5.173 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.487 -8.538 4.955 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.008 -8.012 6.587 1.00 0.54 H new ATOM 453 N GLN A 43 -8.738 -9.381 7.914 1.00 0.44 N ATOM 454 CA GLN A 43 -7.712 -9.082 8.898 1.00 0.45 C ATOM 455 C GLN A 43 -6.478 -9.940 8.661 1.00 0.45 C ATOM 456 O GLN A 43 -5.383 -9.429 8.429 1.00 0.48 O ATOM 457 CB GLN A 43 -8.266 -9.346 10.297 1.00 0.49 C ATOM 458 CG GLN A 43 -7.619 -8.525 11.394 1.00 0.82 C ATOM 459 CD GLN A 43 -8.135 -8.904 12.764 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.545 -9.735 13.456 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.263 -8.330 13.150 1.00 1.12 N ATOM 0 H GLN A 43 -9.614 -9.707 8.322 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.425 -8.034 8.806 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.337 -9.145 10.294 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.141 -10.403 10.530 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.538 -8.665 11.362 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -7.809 -7.467 11.215 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.720 -7.646 12.546 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.676 -8.571 14.051 1.00 1.12 H new ATOM 470 N GLU A 44 -6.667 -11.250 8.696 1.00 0.49 N ATOM 471 CA GLU A 44 -5.568 -12.178 8.492 1.00 0.54 C ATOM 472 C GLU A 44 -5.024 -12.063 7.075 1.00 0.51 C ATOM 473 O GLU A 44 -3.823 -12.203 6.849 1.00 0.50 O ATOM 474 CB GLU A 44 -6.020 -13.611 8.762 1.00 0.68 C ATOM 475 CG GLU A 44 -6.499 -13.836 10.184 1.00 1.20 C ATOM 476 CD GLU A 44 -6.808 -15.289 10.468 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.861 -16.056 10.737 1.00 2.36 O ATOM 478 OE2 GLU A 44 -7.998 -15.670 10.432 1.00 2.20 O ATOM 0 H GLU A 44 -7.570 -11.693 8.864 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.774 -11.922 9.193 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -6.824 -13.866 8.071 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.193 -14.290 8.554 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -5.736 -13.487 10.880 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.392 -13.236 10.362 1.00 1.20 H new ATOM 485 N SER A 45 -5.916 -11.780 6.133 1.00 0.54 N ATOM 486 CA SER A 45 -5.550 -11.692 4.730 1.00 0.59 C ATOM 487 C SER A 45 -4.583 -10.529 4.483 1.00 0.55 C ATOM 488 O SER A 45 -3.645 -10.657 3.694 1.00 0.58 O ATOM 489 CB SER A 45 -6.805 -11.541 3.868 1.00 0.71 C ATOM 490 OG SER A 45 -6.509 -11.708 2.493 1.00 1.04 O ATOM 0 H SER A 45 -6.904 -11.607 6.320 1.00 0.54 H new ATOM 0 HA SER A 45 -5.040 -12.614 4.451 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.549 -12.276 4.174 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.244 -10.557 4.031 1.00 0.71 H new ATOM 0 HG SER A 45 -6.836 -10.932 1.991 1.00 1.04 H new ATOM 496 N LEU A 46 -4.803 -9.400 5.162 1.00 0.56 N ATOM 497 CA LEU A 46 -3.885 -8.267 5.053 1.00 0.60 C ATOM 498 C LEU A 46 -2.504 -8.660 5.543 1.00 0.50 C ATOM 499 O LEU A 46 -1.501 -8.302 4.938 1.00 0.48 O ATOM 500 CB LEU A 46 -4.365 -7.048 5.849 1.00 0.74 C ATOM 501 CG LEU A 46 -5.592 -6.320 5.296 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.781 -4.979 5.987 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.476 -6.125 3.790 1.00 1.14 C ATOM 0 H LEU A 46 -5.597 -9.248 5.784 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.850 -7.993 3.999 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.587 -7.369 6.867 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.543 -6.335 5.912 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.466 -6.940 5.497 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.659 -4.479 5.578 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.919 -5.137 7.057 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.901 -4.358 5.823 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.360 -5.605 3.421 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.588 -5.533 3.567 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.396 -7.097 3.302 1.00 1.14 H new ATOM 515 N GLU A 47 -2.463 -9.413 6.635 1.00 0.49 N ATOM 516 CA GLU A 47 -1.199 -9.824 7.222 1.00 0.48 C ATOM 517 C GLU A 47 -0.468 -10.792 6.295 1.00 0.43 C ATOM 518 O GLU A 47 0.753 -10.720 6.157 1.00 0.45 O ATOM 519 CB GLU A 47 -1.430 -10.444 8.601 1.00 0.55 C ATOM 520 CG GLU A 47 -0.148 -10.687 9.380 1.00 0.81 C ATOM 521 CD GLU A 47 -0.394 -10.953 10.852 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.570 -10.983 11.276 1.00 1.76 O ATOM 523 OE2 GLU A 47 0.592 -11.118 11.604 1.00 1.51 O ATOM 0 H GLU A 47 -3.289 -9.750 7.129 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.568 -8.944 7.349 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.079 -9.788 9.181 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.958 -11.390 8.481 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.380 -11.536 8.946 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.504 -9.820 9.277 1.00 0.81 H new ATOM 530 N VAL A 48 -1.223 -11.680 5.644 1.00 0.41 N ATOM 531 CA VAL A 48 -0.659 -12.561 4.625 1.00 0.42 C ATOM 532 C VAL A 48 0.019 -11.724 3.552 1.00 0.41 C ATOM 533 O VAL A 48 1.183 -11.941 3.210 1.00 0.43 O ATOM 534 CB VAL A 48 -1.734 -13.438 3.941 1.00 0.46 C ATOM 535 CG1 VAL A 48 -1.101 -14.370 2.921 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.528 -14.236 4.957 1.00 0.49 C ATOM 0 H VAL A 48 -2.222 -11.806 5.805 1.00 0.41 H new ATOM 0 HA VAL A 48 0.051 -13.217 5.128 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.422 -12.768 3.425 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.876 -14.977 2.453 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.590 -13.782 2.158 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.382 -15.020 3.419 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -3.274 -14.841 4.442 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.855 -14.887 5.514 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -3.026 -13.554 5.646 1.00 0.49 H new ATOM 546 N ALA A 49 -0.727 -10.751 3.047 1.00 0.41 N ATOM 547 CA ALA A 49 -0.231 -9.837 2.034 1.00 0.43 C ATOM 548 C ALA A 49 1.013 -9.112 2.518 1.00 0.43 C ATOM 549 O ALA A 49 2.027 -9.062 1.824 1.00 0.48 O ATOM 550 CB ALA A 49 -1.313 -8.835 1.666 1.00 0.44 C ATOM 0 H ALA A 49 -1.691 -10.575 3.329 1.00 0.41 H new ATOM 0 HA ALA A 49 0.037 -10.416 1.150 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.933 -8.153 0.905 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.182 -9.365 1.277 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.600 -8.268 2.551 1.00 0.44 H new ATOM 556 N ILE A 50 0.920 -8.569 3.722 1.00 0.40 N ATOM 557 CA ILE A 50 2.010 -7.832 4.336 1.00 0.40 C ATOM 558 C ILE A 50 3.297 -8.652 4.358 1.00 0.38 C ATOM 559 O ILE A 50 4.341 -8.172 3.932 1.00 0.41 O ATOM 560 CB ILE A 50 1.631 -7.407 5.775 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.649 -6.232 5.744 1.00 0.53 C ATOM 562 CG2 ILE A 50 2.870 -7.057 6.589 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.112 -5.845 7.109 1.00 0.61 C ATOM 0 H ILE A 50 0.083 -8.628 4.302 1.00 0.40 H new ATOM 0 HA ILE A 50 2.186 -6.941 3.733 1.00 0.40 H new ATOM 0 HB ILE A 50 1.143 -8.252 6.261 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.145 -5.368 5.301 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.188 -6.487 5.094 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.573 -6.762 7.595 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.526 -7.925 6.644 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.399 -6.233 6.111 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.576 -5.006 7.005 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.414 -6.693 7.547 1.00 0.61 H new ATOM 0 HD13 ILE A 50 0.940 -5.557 7.757 1.00 0.61 H new ATOM 575 N GLN A 51 3.215 -9.892 4.832 1.00 0.39 N ATOM 576 CA GLN A 51 4.393 -10.752 4.915 1.00 0.43 C ATOM 577 C GLN A 51 5.022 -10.937 3.538 1.00 0.43 C ATOM 578 O GLN A 51 6.245 -10.846 3.374 1.00 0.47 O ATOM 579 CB GLN A 51 4.031 -12.117 5.505 1.00 0.50 C ATOM 580 CG GLN A 51 3.464 -12.054 6.914 1.00 0.78 C ATOM 581 CD GLN A 51 4.377 -11.333 7.886 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.253 -11.940 8.499 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.164 -10.038 8.046 1.00 1.35 N ATOM 0 H GLN A 51 2.351 -10.322 5.163 1.00 0.39 H new ATOM 0 HA GLN A 51 5.114 -10.266 5.572 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.303 -12.601 4.853 1.00 0.50 H new ATOM 0 HB3 GLN A 51 4.921 -12.746 5.511 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.498 -11.550 6.889 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.286 -13.067 7.274 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.426 -9.573 7.517 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.738 -9.504 8.698 1.00 1.35 H new ATOM 592 N CYS A 52 4.171 -11.168 2.549 1.00 0.45 N ATOM 593 CA CYS A 52 4.620 -11.388 1.186 1.00 0.53 C ATOM 594 C CYS A 52 5.277 -10.132 0.616 1.00 0.53 C ATOM 595 O CYS A 52 6.417 -10.176 0.143 1.00 0.60 O ATOM 596 CB CYS A 52 3.442 -11.808 0.306 1.00 0.59 C ATOM 597 SG CYS A 52 2.538 -13.248 0.920 1.00 0.69 S ATOM 0 H CYS A 52 3.159 -11.208 2.669 1.00 0.45 H new ATOM 0 HA CYS A 52 5.362 -12.186 1.197 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.751 -10.969 0.218 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.811 -12.024 -0.697 1.00 0.59 H new ATOM 0 HG CYS A 52 1.615 -12.860 1.749 1.00 0.69 H new ATOM 603 N LEU A 53 4.577 -9.006 0.685 1.00 0.50 N ATOM 604 CA LEU A 53 5.064 -7.797 0.045 1.00 0.54 C ATOM 605 C LEU A 53 6.147 -7.095 0.857 1.00 0.51 C ATOM 606 O LEU A 53 6.918 -6.326 0.302 1.00 0.58 O ATOM 607 CB LEU A 53 3.918 -6.847 -0.341 1.00 0.63 C ATOM 608 CG LEU A 53 2.956 -6.404 0.751 1.00 0.54 C ATOM 609 CD1 LEU A 53 3.652 -5.492 1.724 1.00 0.76 C ATOM 610 CD2 LEU A 53 1.773 -5.700 0.117 1.00 0.61 C ATOM 0 H LEU A 53 3.685 -8.908 1.170 1.00 0.50 H new ATOM 0 HA LEU A 53 5.540 -8.113 -0.883 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.360 -5.952 -0.779 1.00 0.63 H new ATOM 0 HB3 LEU A 53 3.334 -7.330 -1.124 1.00 0.63 H new ATOM 0 HG LEU A 53 2.604 -7.278 1.299 1.00 0.54 H new ATOM 0 HD11 LEU A 53 2.951 -5.184 2.499 1.00 0.76 H new ATOM 0 HD12 LEU A 53 4.490 -6.019 2.181 1.00 0.76 H new ATOM 0 HD13 LEU A 53 4.021 -4.612 1.198 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.080 -5.380 0.895 1.00 0.61 H new ATOM 0 HD22 LEU A 53 2.122 -4.829 -0.438 1.00 0.61 H new ATOM 0 HD23 LEU A 53 1.265 -6.383 -0.563 1.00 0.61 H new ATOM 622 N GLU A 54 6.235 -7.366 2.155 1.00 0.47 N ATOM 623 CA GLU A 54 7.289 -6.762 2.963 1.00 0.51 C ATOM 624 C GLU A 54 8.638 -7.324 2.536 1.00 0.56 C ATOM 625 O GLU A 54 9.636 -6.606 2.460 1.00 0.65 O ATOM 626 CB GLU A 54 7.057 -7.004 4.456 1.00 0.56 C ATOM 627 CG GLU A 54 7.920 -6.140 5.382 1.00 0.73 C ATOM 628 CD GLU A 54 7.841 -6.602 6.819 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.462 -7.633 7.147 1.00 1.62 O ATOM 630 OE2 GLU A 54 7.158 -5.941 7.627 1.00 1.65 O ATOM 0 H GLU A 54 5.604 -7.986 2.662 1.00 0.47 H new ATOM 0 HA GLU A 54 7.275 -5.684 2.801 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.007 -6.819 4.682 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.250 -8.054 4.675 1.00 0.56 H new ATOM 0 HG2 GLU A 54 8.957 -6.172 5.047 1.00 0.73 H new ATOM 0 HG3 GLU A 54 7.596 -5.101 5.316 1.00 0.73 H new ATOM 637 N THR A 55 8.642 -8.610 2.227 1.00 0.61 N ATOM 638 CA THR A 55 9.832 -9.285 1.740 1.00 0.78 C ATOM 639 C THR A 55 10.129 -8.891 0.288 1.00 0.83 C ATOM 640 O THR A 55 11.274 -8.916 -0.163 1.00 0.98 O ATOM 641 CB THR A 55 9.640 -10.811 1.828 1.00 0.95 C ATOM 642 OG1 THR A 55 9.196 -11.168 3.146 1.00 1.00 O ATOM 643 CG2 THR A 55 10.932 -11.543 1.503 1.00 1.16 C ATOM 0 H THR A 55 7.823 -9.213 2.306 1.00 0.61 H new ATOM 0 HA THR A 55 10.674 -8.983 2.362 1.00 0.78 H new ATOM 0 HB THR A 55 8.888 -11.105 1.096 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.224 -11.055 3.206 1.00 1.00 H new ATOM 0 HG21 THR A 55 10.768 -12.618 1.573 1.00 1.16 H new ATOM 0 HG22 THR A 55 11.250 -11.289 0.492 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.706 -11.247 2.211 1.00 1.16 H new ATOM 651 N ALA A 56 9.083 -8.510 -0.428 1.00 0.77 N ATOM 652 CA ALA A 56 9.174 -8.229 -1.857 1.00 0.88 C ATOM 653 C ALA A 56 9.553 -6.783 -2.158 1.00 0.88 C ATOM 654 O ALA A 56 10.397 -6.506 -3.008 1.00 1.15 O ATOM 655 CB ALA A 56 7.838 -8.530 -2.508 1.00 0.90 C ATOM 0 H ALA A 56 8.148 -8.386 -0.039 1.00 0.77 H new ATOM 0 HA ALA A 56 9.965 -8.863 -2.258 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.899 -8.322 -3.576 1.00 0.90 H new ATOM 0 HB2 ALA A 56 7.588 -9.580 -2.356 1.00 0.90 H new ATOM 0 HB3 ALA A 56 7.066 -7.905 -2.060 1.00 0.90 H new ATOM 661 N PHE A 57 8.919 -5.875 -1.448 1.00 0.76 N ATOM 662 CA PHE A 57 8.906 -4.463 -1.806 1.00 1.05 C ATOM 663 C PHE A 57 10.211 -3.750 -1.436 1.00 1.56 C ATOM 664 O PHE A 57 10.508 -2.674 -1.957 1.00 2.05 O ATOM 665 CB PHE A 57 7.728 -3.811 -1.082 1.00 1.04 C ATOM 666 CG PHE A 57 6.971 -2.777 -1.856 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.621 -1.739 -2.496 1.00 1.47 C ATOM 668 CD2 PHE A 57 5.588 -2.830 -1.904 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.904 -0.772 -3.168 1.00 1.46 C ATOM 670 CE2 PHE A 57 4.868 -1.871 -2.580 1.00 1.50 C ATOM 671 CZ PHE A 57 5.524 -0.839 -3.209 1.00 0.92 C ATOM 0 H PHE A 57 8.394 -6.091 -0.601 1.00 0.76 H new ATOM 0 HA PHE A 57 8.805 -4.376 -2.888 1.00 1.05 H new ATOM 0 HB2 PHE A 57 7.032 -4.595 -0.784 1.00 1.04 H new ATOM 0 HB3 PHE A 57 8.100 -3.351 -0.167 1.00 1.04 H new ATOM 0 HD1 PHE A 57 8.699 -1.685 -2.470 1.00 1.47 H new ATOM 0 HD2 PHE A 57 5.068 -3.634 -1.405 1.00 1.50 H new ATOM 0 HE1 PHE A 57 7.420 0.038 -3.662 1.00 1.46 H new ATOM 0 HE2 PHE A 57 3.790 -1.929 -2.616 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.961 -0.082 -3.735 1.00 0.92 H new ATOM 681 N GLY A 58 10.997 -4.362 -0.555 1.00 1.71 N ATOM 682 CA GLY A 58 12.150 -3.676 0.003 1.00 2.29 C ATOM 683 C GLY A 58 11.703 -2.714 1.072 1.00 2.05 C ATOM 684 O GLY A 58 12.006 -1.524 1.024 1.00 2.60 O ATOM 0 H GLY A 58 10.858 -5.315 -0.219 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.848 -4.401 0.422 1.00 2.29 H new ATOM 0 HA3 GLY A 58 12.681 -3.139 -0.783 1.00 2.29 H new ATOM 688 N VAL A 59 10.966 -3.242 2.038 1.00 1.35 N ATOM 689 CA VAL A 59 10.226 -2.421 2.974 1.00 1.13 C ATOM 690 C VAL A 59 10.336 -2.938 4.403 1.00 1.04 C ATOM 691 O VAL A 59 11.378 -3.447 4.797 1.00 1.22 O ATOM 692 CB VAL A 59 8.751 -2.255 2.527 1.00 0.93 C ATOM 693 CG1 VAL A 59 8.702 -1.489 1.225 1.00 1.23 C ATOM 694 CG2 VAL A 59 8.051 -3.579 2.353 1.00 1.00 C ATOM 0 H VAL A 59 10.867 -4.245 2.191 1.00 1.35 H new ATOM 0 HA VAL A 59 10.682 -1.431 2.970 1.00 1.13 H new ATOM 0 HB VAL A 59 8.231 -1.708 3.314 1.00 0.93 H new ATOM 0 HG11 VAL A 59 7.665 -1.372 0.910 1.00 1.23 H new ATOM 0 HG12 VAL A 59 9.152 -0.506 1.364 1.00 1.23 H new ATOM 0 HG13 VAL A 59 9.254 -2.036 0.460 1.00 1.23 H new ATOM 0 HG21 VAL A 59 7.021 -3.408 2.039 1.00 1.00 H new ATOM 0 HG22 VAL A 59 8.568 -4.167 1.595 1.00 1.00 H new ATOM 0 HG23 VAL A 59 8.057 -4.121 3.299 1.00 1.00 H new ATOM 704 N THR A 60 9.243 -2.792 5.125 1.00 1.18 N ATOM 705 CA THR A 60 9.160 -2.796 6.593 1.00 1.30 C ATOM 706 C THR A 60 9.999 -3.833 7.376 1.00 1.16 C ATOM 707 O THR A 60 10.760 -4.619 6.824 1.00 1.15 O ATOM 708 CB THR A 60 7.694 -2.901 7.002 1.00 1.94 C ATOM 709 OG1 THR A 60 6.888 -2.507 5.895 1.00 2.24 O ATOM 710 CG2 THR A 60 7.368 -1.999 8.185 1.00 2.38 C ATOM 0 H THR A 60 8.331 -2.659 4.689 1.00 1.18 H new ATOM 0 HA THR A 60 9.624 -1.852 6.880 1.00 1.30 H new ATOM 0 HB THR A 60 7.495 -3.931 7.297 1.00 1.94 H new ATOM 0 HG1 THR A 60 6.371 -1.709 6.134 1.00 2.24 H new ATOM 0 HG21 THR A 60 6.314 -2.104 8.443 1.00 2.38 H new ATOM 0 HG22 THR A 60 7.982 -2.284 9.040 1.00 2.38 H new ATOM 0 HG23 THR A 60 7.574 -0.962 7.920 1.00 2.38 H new ATOM 718 N VAL A 61 9.645 -3.926 8.661 1.00 1.41 N ATOM 719 CA VAL A 61 10.559 -3.973 9.820 1.00 1.59 C ATOM 720 C VAL A 61 12.053 -3.679 9.541 1.00 1.83 C ATOM 721 O VAL A 61 12.701 -3.009 10.345 1.00 2.11 O ATOM 722 CB VAL A 61 10.386 -5.239 10.670 1.00 1.81 C ATOM 723 CG1 VAL A 61 10.882 -6.469 9.943 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.072 -5.068 12.018 1.00 1.95 C ATOM 0 H VAL A 61 8.666 -3.973 8.942 1.00 1.41 H new ATOM 0 HA VAL A 61 10.227 -3.115 10.405 1.00 1.59 H new ATOM 0 HB VAL A 61 9.321 -5.387 10.848 1.00 1.81 H new ATOM 0 HG11 VAL A 61 10.744 -7.346 10.575 1.00 2.21 H new ATOM 0 HG12 VAL A 61 10.320 -6.596 9.018 1.00 2.21 H new ATOM 0 HG13 VAL A 61 11.941 -6.352 9.711 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.941 -5.974 12.610 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.136 -4.885 11.864 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.631 -4.222 12.546 1.00 1.95 H new ATOM 734 N GLU A 62 12.602 -4.131 8.433 1.00 1.89 N ATOM 735 CA GLU A 62 13.971 -3.769 8.075 1.00 2.16 C ATOM 736 C GLU A 62 14.001 -2.306 7.625 1.00 1.64 C ATOM 737 O GLU A 62 14.650 -1.430 8.228 1.00 1.65 O ATOM 738 CB GLU A 62 14.491 -4.677 6.959 1.00 2.87 C ATOM 739 CG GLU A 62 14.570 -6.142 7.351 1.00 3.13 C ATOM 740 CD GLU A 62 15.540 -6.387 8.486 1.00 3.57 C ATOM 741 OE1 GLU A 62 16.764 -6.415 8.230 1.00 4.01 O ATOM 742 OE2 GLU A 62 15.087 -6.551 9.639 1.00 3.98 O ATOM 0 H GLU A 62 12.133 -4.744 7.766 1.00 1.89 H new ATOM 0 HA GLU A 62 14.616 -3.897 8.944 1.00 2.16 H new ATOM 0 HB2 GLU A 62 13.842 -4.577 6.089 1.00 2.87 H new ATOM 0 HB3 GLU A 62 15.482 -4.337 6.658 1.00 2.87 H new ATOM 0 HG2 GLU A 62 13.579 -6.491 7.643 1.00 3.13 H new ATOM 0 HG3 GLU A 62 14.873 -6.731 6.485 1.00 3.13 H new ATOM 749 N ASP A 63 13.240 -2.022 6.592 1.00 1.38 N ATOM 750 CA ASP A 63 13.131 -0.668 6.103 1.00 1.61 C ATOM 751 C ASP A 63 12.195 0.140 6.998 1.00 1.60 C ATOM 752 O ASP A 63 11.862 1.284 6.709 1.00 1.95 O ATOM 753 CB ASP A 63 12.675 -0.672 4.649 1.00 1.89 C ATOM 754 CG ASP A 63 13.734 -1.266 3.733 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.783 -2.504 3.586 1.00 3.35 O ATOM 756 OD2 ASP A 63 14.544 -0.503 3.176 1.00 3.62 O ATOM 0 H ASP A 63 12.689 -2.709 6.076 1.00 1.38 H new ATOM 0 HA ASP A 63 14.109 -0.188 6.137 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.752 -1.244 4.558 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.451 0.347 4.334 1.00 1.89 H new ATOM 761 N SER A 64 11.774 -0.477 8.099 1.00 1.54 N ATOM 762 CA SER A 64 11.098 0.239 9.166 1.00 1.81 C ATOM 763 C SER A 64 12.147 0.805 10.112 1.00 1.74 C ATOM 764 O SER A 64 11.897 1.756 10.847 1.00 1.93 O ATOM 765 CB SER A 64 10.152 -0.683 9.928 1.00 2.41 C ATOM 766 OG SER A 64 9.280 0.047 10.772 1.00 2.91 O ATOM 0 H SER A 64 11.892 -1.475 8.272 1.00 1.54 H new ATOM 0 HA SER A 64 10.504 1.046 8.737 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.567 -1.270 9.220 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.732 -1.387 10.525 1.00 2.41 H new ATOM 0 HG SER A 64 8.686 -0.573 11.244 1.00 2.91 H new ATOM 772 N ASP A 65 13.329 0.195 10.101 1.00 1.69 N ATOM 773 CA ASP A 65 14.473 0.749 10.810 1.00 2.03 C ATOM 774 C ASP A 65 14.831 2.100 10.212 1.00 1.90 C ATOM 775 O ASP A 65 15.193 3.028 10.929 1.00 2.28 O ATOM 776 CB ASP A 65 15.674 -0.198 10.743 1.00 2.26 C ATOM 777 CG ASP A 65 16.929 0.407 11.338 1.00 2.89 C ATOM 778 OD1 ASP A 65 17.033 0.478 12.581 1.00 3.46 O ATOM 779 OD2 ASP A 65 17.817 0.824 10.567 1.00 3.35 O ATOM 0 H ASP A 65 13.517 -0.679 9.610 1.00 1.69 H new ATOM 0 HA ASP A 65 14.207 0.875 11.860 1.00 2.03 H new ATOM 0 HB2 ASP A 65 15.434 -1.120 11.272 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.862 -0.466 9.703 1.00 2.26 H new ATOM 784 N LEU A 66 14.695 2.220 8.893 1.00 1.52 N ATOM 785 CA LEU A 66 14.904 3.527 8.237 1.00 1.61 C ATOM 786 C LEU A 66 13.625 4.382 8.256 1.00 1.45 C ATOM 787 O LEU A 66 13.404 5.214 7.374 1.00 1.72 O ATOM 788 CB LEU A 66 15.450 3.370 6.803 1.00 1.77 C ATOM 789 CG LEU A 66 14.641 2.498 5.836 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.586 3.313 5.098 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.571 1.829 4.842 1.00 1.57 C ATOM 0 H LEU A 66 14.448 1.456 8.264 1.00 1.52 H new ATOM 0 HA LEU A 66 15.662 4.055 8.816 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.541 4.364 6.366 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.457 2.957 6.868 1.00 1.77 H new ATOM 0 HG LEU A 66 14.125 1.736 6.421 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.032 2.663 4.421 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.899 3.757 5.819 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.072 4.103 4.525 1.00 1.87 H new ATOM 0 HD21 LEU A 66 14.989 1.211 4.158 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.107 2.591 4.276 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.286 1.204 5.377 1.00 1.57 H new ATOM 803 N ALA A 67 12.819 4.189 9.299 1.00 1.30 N ATOM 804 CA ALA A 67 11.514 4.847 9.457 1.00 1.26 C ATOM 805 C ALA A 67 11.537 6.360 9.216 1.00 1.27 C ATOM 806 O ALA A 67 12.551 7.036 9.419 1.00 1.53 O ATOM 807 CB ALA A 67 10.978 4.580 10.849 1.00 1.48 C ATOM 0 H ALA A 67 13.053 3.564 10.070 1.00 1.30 H new ATOM 0 HA ALA A 67 10.869 4.420 8.689 1.00 1.26 H new ATOM 0 HB1 ALA A 67 10.010 5.068 10.966 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.863 3.506 10.995 1.00 1.48 H new ATOM 0 HB3 ALA A 67 11.675 4.974 11.589 1.00 1.48 H new ATOM 813 N LEU A 68 10.380 6.874 8.809 1.00 1.15 N ATOM 814 CA LEU A 68 10.174 8.297 8.574 1.00 1.28 C ATOM 815 C LEU A 68 9.484 8.937 9.784 1.00 1.55 C ATOM 816 O LEU A 68 8.930 8.220 10.618 1.00 1.55 O ATOM 817 CB LEU A 68 9.322 8.505 7.312 1.00 1.24 C ATOM 818 CG LEU A 68 9.990 8.117 5.991 1.00 1.18 C ATOM 819 CD1 LEU A 68 9.036 8.344 4.825 1.00 1.20 C ATOM 820 CD2 LEU A 68 11.273 8.909 5.788 1.00 1.18 C ATOM 0 H LEU A 68 9.551 6.307 8.632 1.00 1.15 H new ATOM 0 HA LEU A 68 11.144 8.773 8.429 1.00 1.28 H new ATOM 0 HB2 LEU A 68 8.403 7.928 7.417 1.00 1.24 H new ATOM 0 HB3 LEU A 68 9.035 9.555 7.258 1.00 1.24 H new ATOM 0 HG LEU A 68 10.242 7.057 6.032 1.00 1.18 H new ATOM 0 HD11 LEU A 68 9.527 8.063 3.893 1.00 1.20 H new ATOM 0 HD12 LEU A 68 8.142 7.735 4.962 1.00 1.20 H new ATOM 0 HD13 LEU A 68 8.755 9.396 4.784 1.00 1.20 H new ATOM 0 HD21 LEU A 68 11.734 8.619 4.844 1.00 1.18 H new ATOM 0 HD22 LEU A 68 11.044 9.974 5.768 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.962 8.701 6.607 1.00 1.18 H new ATOM 832 N PRO A 69 9.510 10.281 9.906 1.00 1.93 N ATOM 833 CA PRO A 69 8.947 10.992 11.070 1.00 2.35 C ATOM 834 C PRO A 69 7.492 10.627 11.371 1.00 2.24 C ATOM 835 O PRO A 69 7.157 10.279 12.506 1.00 2.61 O ATOM 836 CB PRO A 69 9.050 12.463 10.671 1.00 2.74 C ATOM 837 CG PRO A 69 10.174 12.510 9.699 1.00 2.56 C ATOM 838 CD PRO A 69 10.103 11.220 8.933 1.00 2.06 C ATOM 0 HA PRO A 69 9.484 10.733 11.982 1.00 2.35 H new ATOM 0 HB2 PRO A 69 8.122 12.818 10.222 1.00 2.74 H new ATOM 0 HB3 PRO A 69 9.248 13.096 11.536 1.00 2.74 H new ATOM 0 HG2 PRO A 69 10.079 13.367 9.032 1.00 2.56 H new ATOM 0 HG3 PRO A 69 11.131 12.609 10.211 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.487 11.316 8.039 1.00 2.06 H new ATOM 0 HD3 PRO A 69 11.089 10.891 8.606 1.00 2.06 H new ATOM 846 N GLN A 70 6.629 10.706 10.365 1.00 1.83 N ATOM 847 CA GLN A 70 5.217 10.402 10.557 1.00 1.81 C ATOM 848 C GLN A 70 4.802 9.253 9.658 1.00 1.42 C ATOM 849 O GLN A 70 5.553 8.849 8.767 1.00 1.30 O ATOM 850 CB GLN A 70 4.343 11.632 10.273 1.00 1.92 C ATOM 851 CG GLN A 70 4.175 11.968 8.795 1.00 1.65 C ATOM 852 CD GLN A 70 3.370 13.235 8.591 1.00 2.17 C ATOM 853 OE1 GLN A 70 3.924 14.332 8.512 1.00 2.65 O ATOM 854 NE2 GLN A 70 2.056 13.096 8.530 1.00 2.75 N ATOM 0 H GLN A 70 6.880 10.976 9.414 1.00 1.83 H new ATOM 0 HA GLN A 70 5.072 10.113 11.598 1.00 1.81 H new ATOM 0 HB2 GLN A 70 3.357 11.469 10.709 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.777 12.494 10.780 1.00 1.92 H new ATOM 0 HG2 GLN A 70 5.157 12.084 8.335 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.681 11.139 8.288 1.00 1.65 H new ATOM 0 HE21 GLN A 70 1.638 12.168 8.600 1.00 2.75 H new ATOM 0 HE22 GLN A 70 1.461 13.916 8.413 1.00 2.75 H new ATOM 863 N THR A 71 3.616 8.719 9.897 1.00 1.36 N ATOM 864 CA THR A 71 3.090 7.656 9.067 1.00 1.13 C ATOM 865 C THR A 71 2.552 8.224 7.764 1.00 0.86 C ATOM 866 O THR A 71 1.940 9.295 7.736 1.00 0.83 O ATOM 867 CB THR A 71 1.975 6.868 9.786 1.00 1.23 C ATOM 868 OG1 THR A 71 0.964 7.762 10.263 1.00 1.53 O ATOM 869 CG2 THR A 71 2.537 6.061 10.946 1.00 1.55 C ATOM 0 H THR A 71 3.002 9.006 10.659 1.00 1.36 H new ATOM 0 HA THR A 71 3.910 6.969 8.858 1.00 1.13 H new ATOM 0 HB THR A 71 1.534 6.178 9.067 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.262 7.250 10.716 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.730 5.516 11.435 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.278 5.354 10.572 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.007 6.734 11.664 1.00 1.55 H new ATOM 877 N LEU A 72 2.807 7.506 6.685 1.00 0.80 N ATOM 878 CA LEU A 72 2.326 7.896 5.371 1.00 0.65 C ATOM 879 C LEU A 72 0.806 7.765 5.271 1.00 0.65 C ATOM 880 O LEU A 72 0.166 8.659 4.740 1.00 0.66 O ATOM 881 CB LEU A 72 3.016 7.085 4.268 1.00 0.78 C ATOM 882 CG LEU A 72 4.369 7.629 3.783 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.178 8.917 3.001 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.322 7.858 4.949 1.00 1.79 C ATOM 0 H LEU A 72 3.349 6.642 6.693 1.00 0.80 H new ATOM 0 HA LEU A 72 2.579 8.947 5.229 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.164 6.068 4.630 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.343 7.024 3.413 1.00 0.78 H new ATOM 0 HG LEU A 72 4.811 6.881 3.125 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.147 9.287 2.666 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.544 8.726 2.135 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.706 9.664 3.639 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.270 8.243 4.574 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.885 8.580 5.640 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.493 6.916 5.469 1.00 1.79 H new ATOM 896 N PRO A 73 0.193 6.653 5.757 1.00 0.75 N ATOM 897 CA PRO A 73 -1.272 6.529 5.817 1.00 0.84 C ATOM 898 C PRO A 73 -1.963 7.760 6.406 1.00 0.80 C ATOM 899 O PRO A 73 -3.055 8.116 5.976 1.00 0.82 O ATOM 900 CB PRO A 73 -1.475 5.311 6.713 1.00 1.03 C ATOM 901 CG PRO A 73 -0.300 4.457 6.411 1.00 1.07 C ATOM 902 CD PRO A 73 0.849 5.409 6.219 1.00 0.84 C ATOM 0 HA PRO A 73 -1.710 6.432 4.824 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.508 5.589 7.766 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.411 4.799 6.488 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.101 3.761 7.226 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.469 3.860 5.515 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.399 5.566 7.147 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.562 5.035 5.485 1.00 0.84 H new ATOM 910 N GLU A 74 -1.322 8.412 7.376 1.00 0.78 N ATOM 911 CA GLU A 74 -1.857 9.643 7.955 1.00 0.78 C ATOM 912 C GLU A 74 -1.877 10.750 6.900 1.00 0.64 C ATOM 913 O GLU A 74 -2.889 11.430 6.709 1.00 0.64 O ATOM 914 CB GLU A 74 -1.024 10.071 9.166 1.00 0.87 C ATOM 915 CG GLU A 74 -1.553 11.311 9.865 1.00 1.22 C ATOM 916 CD GLU A 74 -0.797 11.635 11.134 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.176 11.115 12.205 1.00 1.67 O ATOM 918 OE2 GLU A 74 0.169 12.422 11.075 1.00 2.28 O ATOM 0 H GLU A 74 -0.434 8.109 7.776 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.878 9.459 8.291 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.990 9.249 9.881 1.00 0.87 H new ATOM 0 HB3 GLU A 74 0.001 10.256 8.844 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.492 12.160 9.184 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.607 11.167 10.102 1.00 1.22 H new ATOM 925 N ILE A 75 -0.757 10.907 6.204 1.00 0.58 N ATOM 926 CA ILE A 75 -0.669 11.834 5.081 1.00 0.53 C ATOM 927 C ILE A 75 -1.706 11.468 4.029 1.00 0.49 C ATOM 928 O ILE A 75 -2.336 12.333 3.419 1.00 0.53 O ATOM 929 CB ILE A 75 0.735 11.798 4.437 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.789 12.245 5.448 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.787 12.669 3.186 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.208 12.167 4.932 1.00 1.38 C ATOM 0 H ILE A 75 0.107 10.402 6.399 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.856 12.839 5.459 1.00 0.53 H new ATOM 0 HB ILE A 75 0.948 10.772 4.138 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.578 13.272 5.747 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.704 11.628 6.343 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.786 12.625 2.753 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.061 12.305 2.459 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.551 13.700 3.450 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.896 12.501 5.708 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.440 11.137 4.660 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.312 12.806 4.055 1.00 1.38 H new ATOM 944 N PHE A 76 -1.892 10.171 3.842 1.00 0.50 N ATOM 945 CA PHE A 76 -2.829 9.670 2.859 1.00 0.56 C ATOM 946 C PHE A 76 -4.260 9.963 3.286 1.00 0.60 C ATOM 947 O PHE A 76 -5.142 10.103 2.448 1.00 0.72 O ATOM 948 CB PHE A 76 -2.643 8.167 2.632 1.00 0.65 C ATOM 949 CG PHE A 76 -1.254 7.776 2.201 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.376 8.713 1.675 1.00 2.12 C ATOM 951 CD2 PHE A 76 -0.825 6.467 2.330 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.898 8.349 1.287 1.00 2.24 C ATOM 953 CE2 PHE A 76 0.447 6.097 1.942 1.00 2.34 C ATOM 954 CZ PHE A 76 1.309 7.040 1.420 1.00 2.36 C ATOM 0 H PHE A 76 -1.401 9.445 4.364 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.630 10.183 1.918 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.888 7.639 3.553 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.353 7.834 1.875 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.693 9.740 1.568 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -1.494 5.725 2.740 1.00 2.34 H new ATOM 0 HE1 PHE A 76 1.571 9.089 0.880 1.00 2.24 H new ATOM 0 HE2 PHE A 76 0.767 5.071 2.047 1.00 2.34 H new ATOM 0 HZ PHE A 76 2.305 6.753 1.116 1.00 2.36 H new ATOM 964 N GLU A 77 -4.488 10.063 4.591 1.00 0.63 N ATOM 965 CA GLU A 77 -5.805 10.422 5.101 1.00 0.73 C ATOM 966 C GLU A 77 -6.152 11.844 4.692 1.00 0.69 C ATOM 967 O GLU A 77 -7.318 12.196 4.566 1.00 0.80 O ATOM 968 CB GLU A 77 -5.874 10.278 6.622 1.00 0.90 C ATOM 969 CG GLU A 77 -5.761 8.842 7.104 1.00 1.56 C ATOM 970 CD GLU A 77 -5.902 8.719 8.605 1.00 1.94 C ATOM 971 OE1 GLU A 77 -4.933 9.033 9.326 1.00 2.41 O ATOM 972 OE2 GLU A 77 -6.977 8.290 9.071 1.00 2.52 O ATOM 0 H GLU A 77 -3.783 9.902 5.310 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.532 9.735 4.668 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.074 10.867 7.071 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.816 10.698 6.976 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.529 8.239 6.620 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -4.797 8.435 6.799 1.00 1.56 H new ATOM 979 N ALA A 78 -5.125 12.654 4.482 1.00 0.61 N ATOM 980 CA ALA A 78 -5.314 14.016 4.006 1.00 0.62 C ATOM 981 C ALA A 78 -5.402 14.062 2.479 1.00 0.60 C ATOM 982 O ALA A 78 -6.311 14.669 1.917 1.00 0.65 O ATOM 983 CB ALA A 78 -4.179 14.903 4.499 1.00 0.64 C ATOM 0 H ALA A 78 -4.151 12.391 4.634 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.257 14.389 4.406 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.329 15.920 4.138 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.165 14.903 5.589 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.230 14.521 4.124 1.00 0.64 H new ATOM 989 N ALA A 79 -4.461 13.401 1.815 1.00 0.65 N ATOM 990 CA ALA A 79 -4.356 13.463 0.357 1.00 0.75 C ATOM 991 C ALA A 79 -5.438 12.643 -0.347 1.00 0.86 C ATOM 992 O ALA A 79 -6.073 13.123 -1.284 1.00 0.99 O ATOM 993 CB ALA A 79 -2.980 12.993 -0.089 1.00 0.83 C ATOM 0 H ALA A 79 -3.757 12.814 2.262 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.503 14.505 0.072 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.913 13.043 -1.176 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -2.216 13.634 0.352 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.823 11.965 0.237 1.00 0.83 H new ATOM 999 N ALA A 80 -5.655 11.416 0.112 1.00 0.91 N ATOM 1000 CA ALA A 80 -6.549 10.484 -0.571 1.00 1.12 C ATOM 1001 C ALA A 80 -8.020 10.838 -0.350 1.00 1.27 C ATOM 1002 O ALA A 80 -8.905 10.285 -1.008 1.00 1.56 O ATOM 1003 CB ALA A 80 -6.259 9.058 -0.121 1.00 1.25 C ATOM 0 H ALA A 80 -5.223 11.041 0.957 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.361 10.563 -1.642 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.930 8.370 -0.635 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -5.226 8.804 -0.360 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -6.412 8.978 0.955 1.00 1.25 H new ATOM 1009 N THR A 81 -8.283 11.749 0.577 1.00 1.23 N ATOM 1010 CA THR A 81 -9.636 12.240 0.791 1.00 1.46 C ATOM 1011 C THR A 81 -9.897 13.468 -0.072 1.00 1.63 C ATOM 1012 O THR A 81 -11.040 13.905 -0.233 1.00 1.89 O ATOM 1013 CB THR A 81 -9.886 12.594 2.269 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.805 13.389 2.764 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.034 11.340 3.114 1.00 1.65 C ATOM 0 H THR A 81 -7.580 12.161 1.190 1.00 1.23 H new ATOM 0 HA THR A 81 -10.320 11.439 0.509 1.00 1.46 H new ATOM 0 HB THR A 81 -10.816 13.160 2.334 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.218 12.834 3.319 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.210 11.620 4.153 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.877 10.753 2.749 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.122 10.747 3.047 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.829 14.018 -0.633 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.947 15.186 -1.475 1.00 2.14 C ATOM 1025 C GLY A 82 -9.018 14.815 -2.938 1.00 2.00 C ATOM 1026 O GLY A 82 -8.532 13.756 -3.340 1.00 2.59 O ATOM 0 H GLY A 82 -7.877 13.671 -0.517 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.840 15.746 -1.198 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.094 15.843 -1.307 1.00 2.14 H new ATOM 1030 N LYS A 83 -9.622 15.677 -3.734 1.00 1.89 N ATOM 1031 CA LYS A 83 -9.781 15.409 -5.151 1.00 2.11 C ATOM 1032 C LYS A 83 -9.621 16.694 -5.950 1.00 2.84 C ATOM 1033 O LYS A 83 -8.534 16.899 -6.526 1.00 3.20 O ATOM 1034 CB LYS A 83 -11.145 14.771 -5.420 1.00 2.31 C ATOM 1035 CG LYS A 83 -11.373 14.404 -6.877 1.00 2.78 C ATOM 1036 CD LYS A 83 -12.700 13.693 -7.061 1.00 3.44 C ATOM 1037 CE LYS A 83 -12.980 13.397 -8.525 1.00 3.93 C ATOM 1038 NZ LYS A 83 -13.054 14.634 -9.346 1.00 4.41 N ATOM 1039 OXT LYS A 83 -10.569 17.504 -5.978 1.00 3.62 O ATOM 0 H LYS A 83 -10.010 16.568 -3.424 1.00 1.89 H new ATOM 0 HA LYS A 83 -9.007 14.709 -5.466 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -11.243 13.874 -4.809 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -11.927 15.460 -5.102 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -11.352 15.305 -7.490 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -10.563 13.763 -7.225 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -12.695 12.761 -6.496 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -13.502 14.309 -6.654 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -12.197 12.749 -8.919 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -13.919 12.850 -8.610 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -13.490 14.415 -10.265 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -13.628 15.346 -8.851 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -12.095 15.008 -9.498 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -14.706 9.450 5.421 1.00 2.24 N ATOM 1055 CA MET B 15 -14.395 8.896 4.085 1.00 1.67 C ATOM 1056 C MET B 15 -13.400 7.750 4.203 1.00 1.40 C ATOM 1057 O MET B 15 -12.410 7.848 4.932 1.00 1.55 O ATOM 1058 CB MET B 15 -13.822 9.990 3.176 1.00 1.81 C ATOM 1059 CG MET B 15 -13.499 9.511 1.769 1.00 2.21 C ATOM 1060 SD MET B 15 -12.745 10.793 0.749 1.00 3.03 S ATOM 1061 CE MET B 15 -14.060 12.010 0.698 1.00 3.68 C ATOM 0 HA MET B 15 -15.318 8.517 3.647 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.537 10.811 3.115 1.00 1.81 H new ATOM 0 HB3 MET B 15 -12.916 10.390 3.631 1.00 1.81 H new ATOM 0 HG2 MET B 15 -12.825 8.656 1.827 1.00 2.21 H new ATOM 0 HG3 MET B 15 -14.414 9.163 1.290 1.00 2.21 H new ATOM 0 HE1 MET B 15 -13.879 12.708 -0.120 1.00 3.68 H new ATOM 0 HE2 MET B 15 -15.015 11.508 0.542 1.00 3.68 H new ATOM 0 HE3 MET B 15 -14.087 12.556 1.641 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.671 6.666 3.492 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.781 5.513 3.467 1.00 1.13 C ATOM 1075 C ASP B 16 -11.602 5.780 2.539 1.00 0.91 C ATOM 1076 O ASP B 16 -11.625 5.423 1.362 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.535 4.263 3.005 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.517 3.748 4.035 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.109 2.947 4.901 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -15.700 4.139 3.981 1.00 2.42 O ATOM 0 H ASP B 16 -14.508 6.560 2.919 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.408 5.343 4.477 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.070 4.489 2.083 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.816 3.477 2.772 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.576 6.432 3.063 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.439 6.827 2.244 1.00 0.75 C ATOM 1087 C ASN B 17 -8.398 5.718 2.127 1.00 0.62 C ATOM 1088 O ASN B 17 -7.539 5.771 1.250 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.787 8.097 2.797 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.027 7.864 4.089 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -8.591 7.952 5.179 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.740 7.568 3.976 1.00 1.71 N ATOM 0 H ASN B 17 -10.506 6.698 4.045 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.825 7.026 1.244 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.105 8.503 2.050 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.558 8.849 2.967 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.179 7.404 4.812 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.310 7.505 3.053 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.469 4.717 2.996 1.00 0.59 N ATOM 1100 CA LYS B 18 -7.450 3.669 3.019 1.00 0.62 C ATOM 1101 C LYS B 18 -7.672 2.676 1.881 1.00 0.54 C ATOM 1102 O LYS B 18 -6.722 2.123 1.331 1.00 0.48 O ATOM 1103 CB LYS B 18 -7.416 2.926 4.366 1.00 0.82 C ATOM 1104 CG LYS B 18 -6.949 3.766 5.551 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.009 4.752 6.014 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.543 5.546 7.223 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.541 6.568 7.636 1.00 1.89 N ATOM 0 H LYS B 18 -9.211 4.607 3.687 1.00 0.59 H new ATOM 0 HA LYS B 18 -6.485 4.159 2.885 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -8.415 2.546 4.580 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -6.759 2.061 4.271 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -6.683 3.107 6.378 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -6.046 4.310 5.274 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.251 5.436 5.200 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -8.924 4.214 6.262 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.356 4.865 8.054 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.597 6.036 6.993 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.143 7.154 8.397 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.777 7.171 6.822 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.402 6.095 7.977 1.00 1.89 H new ATOM 1121 N LYS B 19 -8.926 2.459 1.524 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.251 1.579 0.409 1.00 0.61 C ATOM 1123 C LYS B 19 -8.842 2.212 -0.918 1.00 0.53 C ATOM 1124 O LYS B 19 -8.221 1.563 -1.753 1.00 0.55 O ATOM 1125 CB LYS B 19 -10.739 1.239 0.406 1.00 0.77 C ATOM 1126 CG LYS B 19 -11.648 2.460 0.422 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.117 2.076 0.452 1.00 1.20 C ATOM 1128 CE LYS B 19 -13.561 1.476 -0.864 1.00 1.06 C ATOM 1129 NZ LYS B 19 -14.970 1.013 -0.818 1.00 1.49 N ATOM 0 H LYS B 19 -9.734 2.877 1.986 1.00 0.61 H new ATOM 0 HA LYS B 19 -8.688 0.654 0.533 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -10.964 0.642 -0.478 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -10.962 0.620 1.275 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -11.416 3.073 1.293 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.451 3.070 -0.459 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.291 1.361 1.256 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -13.720 2.957 0.673 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.449 2.216 -1.656 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -12.912 0.638 -1.117 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.148 0.364 -1.611 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.144 0.519 0.080 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.607 1.832 -0.891 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.162 3.488 -1.109 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.772 4.173 -2.335 1.00 0.59 C ATOM 1145 C ARG B 20 -7.252 4.320 -2.373 1.00 0.55 C ATOM 1146 O ARG B 20 -6.646 4.461 -3.434 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.460 5.535 -2.454 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.979 5.445 -2.401 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.645 6.633 -3.077 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.240 7.914 -2.501 1.00 1.31 N ATOM 1151 CZ ARG B 20 -11.958 9.033 -2.614 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -13.139 9.007 -3.222 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -11.495 10.175 -2.120 1.00 2.34 N ATOM 0 H ARG B 20 -9.681 4.060 -0.443 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.093 3.576 -3.189 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.112 6.182 -1.649 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.163 6.005 -3.392 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.304 4.524 -2.884 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.303 5.391 -1.362 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.401 6.624 -4.139 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.727 6.530 -2.998 1.00 1.01 H new ATOM 0 HE ARG B 20 -10.361 7.955 -1.985 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -13.497 8.131 -3.603 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.687 9.863 -3.308 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -10.589 10.198 -1.653 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -12.046 11.029 -2.208 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.658 4.277 -1.191 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.215 4.213 -1.041 1.00 0.58 C ATOM 1169 C LEU B 21 -4.667 2.931 -1.673 1.00 0.57 C ATOM 1170 O LEU B 21 -3.883 2.980 -2.623 1.00 0.64 O ATOM 1171 CB LEU B 21 -4.874 4.287 0.457 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.566 3.630 0.902 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.377 4.314 0.253 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.446 3.673 2.415 1.00 0.61 C ATOM 0 H LEU B 21 -7.166 4.286 -0.306 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.749 5.053 -1.557 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.842 5.337 0.746 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.691 3.828 1.014 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.575 2.588 0.583 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.456 3.832 0.582 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.460 4.237 -0.831 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.360 5.365 0.541 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.511 3.202 2.719 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.457 4.710 2.752 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.284 3.138 2.862 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.108 1.788 -1.162 1.00 0.55 N ATOM 1187 CA ALA B 22 -4.594 0.501 -1.612 1.00 0.63 C ATOM 1188 C ALA B 22 -5.036 0.175 -3.033 1.00 0.51 C ATOM 1189 O ALA B 22 -4.279 -0.433 -3.791 1.00 0.44 O ATOM 1190 CB ALA B 22 -5.021 -0.601 -0.660 1.00 0.83 C ATOM 0 H ALA B 22 -5.821 1.726 -0.435 1.00 0.55 H new ATOM 0 HA ALA B 22 -3.506 0.568 -1.616 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -4.629 -1.556 -1.010 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -4.632 -0.392 0.336 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -6.109 -0.647 -0.622 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.252 0.581 -3.398 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.770 0.332 -4.743 1.00 0.75 C ATOM 1198 C TYR B 23 -5.804 0.882 -5.793 1.00 0.66 C ATOM 1199 O TYR B 23 -5.483 0.213 -6.777 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.179 0.951 -4.913 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.279 1.986 -6.024 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.536 1.609 -7.337 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -8.086 3.335 -5.759 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.594 2.547 -8.348 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -8.136 4.276 -6.765 1.00 2.48 C ATOM 1206 CZ TYR B 23 -8.389 3.877 -8.056 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.424 4.813 -9.061 1.00 2.99 O ATOM 0 H TYR B 23 -6.894 1.082 -2.784 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.858 -0.745 -4.886 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.893 0.151 -5.112 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.475 1.415 -3.972 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.693 0.566 -7.570 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -7.893 3.653 -4.745 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.799 2.239 -9.363 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -7.977 5.320 -6.540 1.00 2.48 H new ATOM 0 HH TYR B 23 -8.127 4.403 -9.900 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.321 2.093 -5.553 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.446 2.768 -6.491 1.00 0.87 C ATOM 1219 C ALA B 24 -3.067 2.132 -6.500 1.00 0.75 C ATOM 1220 O ALA B 24 -2.418 2.037 -7.542 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.348 4.233 -6.130 1.00 1.14 C ATOM 0 H ALA B 24 -5.524 2.628 -4.709 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.866 2.672 -7.492 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.690 4.739 -6.836 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.339 4.685 -6.170 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -3.944 4.333 -5.122 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.628 1.699 -5.331 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.342 1.041 -5.194 1.00 0.71 C ATOM 1229 C ILE B 25 -1.345 -0.286 -5.936 1.00 0.61 C ATOM 1230 O ILE B 25 -0.397 -0.613 -6.640 1.00 0.66 O ATOM 1231 CB ILE B 25 -0.990 0.825 -3.710 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -0.830 2.182 -3.030 1.00 0.97 C ATOM 1233 CG2 ILE B 25 0.277 -0.004 -3.556 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.458 2.085 -1.575 1.00 0.89 C ATOM 0 H ILE B 25 -3.148 1.793 -4.458 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.581 1.686 -5.633 1.00 0.71 H new ATOM 0 HB ILE B 25 -1.800 0.272 -3.234 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.065 2.754 -3.555 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.763 2.738 -3.122 1.00 0.97 H new ATOM 0 HG21 ILE B 25 0.498 -0.138 -2.497 1.00 0.91 H new ATOM 0 HG22 ILE B 25 0.133 -0.978 -4.023 1.00 0.91 H new ATOM 0 HG23 ILE B 25 1.109 0.510 -4.038 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.361 3.087 -1.157 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.234 1.540 -1.037 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.491 1.557 -1.476 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.433 -1.027 -5.800 1.00 0.53 N ATOM 1247 CA ILE B 26 -2.597 -2.290 -6.504 1.00 0.53 C ATOM 1248 C ILE B 26 -2.521 -2.087 -8.018 1.00 0.51 C ATOM 1249 O ILE B 26 -1.898 -2.877 -8.727 1.00 0.53 O ATOM 1250 CB ILE B 26 -3.929 -2.962 -6.112 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -3.838 -3.471 -4.669 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.279 -4.094 -7.070 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -5.143 -3.996 -4.114 1.00 0.78 C ATOM 0 H ILE B 26 -3.221 -0.774 -5.204 1.00 0.53 H new ATOM 0 HA ILE B 26 -1.780 -2.949 -6.210 1.00 0.53 H new ATOM 0 HB ILE B 26 -4.729 -2.224 -6.180 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -3.091 -4.263 -4.621 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -3.485 -2.661 -4.031 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.223 -4.548 -6.768 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.374 -3.699 -8.081 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -3.491 -4.847 -7.047 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -4.992 -4.336 -3.090 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -5.889 -3.202 -4.126 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -5.490 -4.829 -4.726 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.136 -1.012 -8.501 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.086 -0.673 -9.921 1.00 0.62 C ATOM 1267 C GLN B 27 -1.649 -0.440 -10.380 1.00 0.55 C ATOM 1268 O GLN B 27 -1.240 -0.913 -11.441 1.00 0.57 O ATOM 1269 CB GLN B 27 -3.929 0.574 -10.201 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.425 0.342 -10.070 1.00 0.89 C ATOM 1271 CD GLN B 27 -5.967 -0.566 -11.156 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.392 -0.102 -12.215 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -5.958 -1.864 -10.905 1.00 1.34 N ATOM 0 H GLN B 27 -3.675 -0.360 -7.931 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.494 -1.515 -10.480 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.631 1.365 -9.513 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.712 0.930 -11.208 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.638 -0.096 -9.095 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.943 1.300 -10.109 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -5.597 -2.209 -10.015 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.312 -2.520 -11.601 1.00 1.34 H new ATOM 1282 N PHE B 28 -0.884 0.277 -9.570 1.00 0.52 N ATOM 1283 CA PHE B 28 0.500 0.591 -9.902 1.00 0.51 C ATOM 1284 C PHE B 28 1.391 -0.642 -9.773 1.00 0.43 C ATOM 1285 O PHE B 28 2.199 -0.925 -10.657 1.00 0.42 O ATOM 1286 CB PHE B 28 1.021 1.714 -9.004 1.00 0.60 C ATOM 1287 CG PHE B 28 2.459 2.069 -9.255 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.824 2.773 -10.390 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.446 1.696 -8.357 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.147 3.096 -10.625 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.769 2.016 -8.586 1.00 1.96 C ATOM 1292 CZ PHE B 28 5.121 2.717 -9.722 1.00 1.83 C ATOM 0 H PHE B 28 -1.198 0.654 -8.676 1.00 0.52 H new ATOM 0 HA PHE B 28 0.529 0.924 -10.939 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.406 2.601 -9.153 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.906 1.417 -7.962 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.067 3.073 -11.099 1.00 1.60 H new ATOM 0 HD2 PHE B 28 3.177 1.148 -7.466 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.419 3.645 -11.515 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.528 1.718 -7.877 1.00 1.96 H new ATOM 0 HZ PHE B 28 6.155 2.968 -9.904 1.00 1.83 H new ATOM 1302 N LEU B 29 1.238 -1.373 -8.676 1.00 0.45 N ATOM 1303 CA LEU B 29 2.031 -2.573 -8.439 1.00 0.45 C ATOM 1304 C LEU B 29 1.794 -3.598 -9.538 1.00 0.45 C ATOM 1305 O LEU B 29 2.739 -4.165 -10.073 1.00 0.48 O ATOM 1306 CB LEU B 29 1.721 -3.185 -7.071 1.00 0.53 C ATOM 1307 CG LEU B 29 2.589 -2.693 -5.905 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.555 -1.179 -5.783 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.135 -3.348 -4.610 1.00 0.70 C ATOM 0 H LEU B 29 0.571 -1.156 -7.935 1.00 0.45 H new ATOM 0 HA LEU B 29 3.081 -2.282 -8.449 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.677 -2.983 -6.832 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.827 -4.267 -7.146 1.00 0.53 H new ATOM 0 HG LEU B 29 3.622 -2.979 -6.106 1.00 0.59 H new ATOM 0 HD11 LEU B 29 3.181 -0.867 -4.947 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.930 -0.731 -6.703 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.530 -0.851 -5.611 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.755 -2.994 -3.786 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.094 -3.089 -4.417 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.230 -4.430 -4.697 1.00 0.70 H new ATOM 1321 N HIS B 30 0.531 -3.814 -9.893 1.00 0.47 N ATOM 1322 CA HIS B 30 0.190 -4.738 -10.972 1.00 0.53 C ATOM 1323 C HIS B 30 0.902 -4.333 -12.261 1.00 0.48 C ATOM 1324 O HIS B 30 1.375 -5.183 -13.019 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.327 -4.766 -11.194 1.00 0.67 C ATOM 1326 CG HIS B 30 -1.759 -5.654 -12.325 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.155 -5.169 -13.551 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -1.857 -7.000 -12.408 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.479 -6.176 -14.336 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.308 -7.300 -13.669 1.00 1.41 N ATOM 0 H HIS B 30 -0.271 -3.364 -9.452 1.00 0.47 H new ATOM 0 HA HIS B 30 0.519 -5.737 -10.688 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -1.813 -5.100 -10.277 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.675 -3.751 -11.388 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -1.624 -7.708 -11.627 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.827 -6.094 -15.355 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -2.482 -8.238 -14.030 1.00 1.41 H new ATOM 1339 N ASP B 31 0.990 -3.030 -12.485 1.00 0.48 N ATOM 1340 CA ASP B 31 1.636 -2.492 -13.674 1.00 0.52 C ATOM 1341 C ASP B 31 3.143 -2.718 -13.618 1.00 0.45 C ATOM 1342 O ASP B 31 3.744 -3.209 -14.577 1.00 0.50 O ATOM 1343 CB ASP B 31 1.340 -0.996 -13.804 1.00 0.63 C ATOM 1344 CG ASP B 31 1.927 -0.393 -15.063 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.235 -0.394 -16.104 1.00 1.98 O ATOM 1346 OD2 ASP B 31 3.079 0.090 -15.014 1.00 1.79 O ATOM 0 H ASP B 31 0.619 -2.320 -11.853 1.00 0.48 H new ATOM 0 HA ASP B 31 1.238 -3.013 -14.545 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.261 -0.841 -13.801 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.740 -0.474 -12.935 1.00 0.63 H new ATOM 1351 N GLN B 32 3.746 -2.377 -12.483 1.00 0.42 N ATOM 1352 CA GLN B 32 5.188 -2.511 -12.317 1.00 0.44 C ATOM 1353 C GLN B 32 5.596 -3.982 -12.356 1.00 0.38 C ATOM 1354 O GLN B 32 6.673 -4.321 -12.840 1.00 0.43 O ATOM 1355 CB GLN B 32 5.652 -1.862 -11.004 1.00 0.52 C ATOM 1356 CG GLN B 32 5.410 -2.720 -9.773 1.00 0.57 C ATOM 1357 CD GLN B 32 5.708 -2.005 -8.470 1.00 1.17 C ATOM 1358 OE1 GLN B 32 5.107 -2.298 -7.444 1.00 1.93 O ATOM 1359 NE2 GLN B 32 6.638 -1.070 -8.493 1.00 1.31 N ATOM 0 H GLN B 32 3.259 -2.007 -11.667 1.00 0.42 H new ATOM 0 HA GLN B 32 5.673 -1.992 -13.144 1.00 0.44 H new ATOM 0 HB2 GLN B 32 6.717 -1.640 -11.076 1.00 0.52 H new ATOM 0 HB3 GLN B 32 5.136 -0.910 -10.878 1.00 0.52 H new ATOM 0 HG2 GLN B 32 4.371 -3.050 -9.768 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.028 -3.615 -9.837 1.00 0.57 H new ATOM 0 HE21 GLN B 32 7.119 -0.851 -9.365 1.00 1.31 H new ATOM 0 HE22 GLN B 32 6.876 -0.566 -7.639 1.00 1.31 H new ATOM 1368 N LEU B 33 4.724 -4.854 -11.855 1.00 0.37 N ATOM 1369 CA LEU B 33 4.986 -6.287 -11.871 1.00 0.42 C ATOM 1370 C LEU B 33 5.092 -6.790 -13.303 1.00 0.46 C ATOM 1371 O LEU B 33 6.032 -7.499 -13.650 1.00 0.53 O ATOM 1372 CB LEU B 33 3.889 -7.062 -11.130 1.00 0.53 C ATOM 1373 CG LEU B 33 3.788 -6.801 -9.622 1.00 0.80 C ATOM 1374 CD1 LEU B 33 2.785 -7.749 -8.990 1.00 1.22 C ATOM 1375 CD2 LEU B 33 5.153 -6.933 -8.960 1.00 0.83 C ATOM 0 H LEU B 33 3.832 -4.592 -11.434 1.00 0.37 H new ATOM 0 HA LEU B 33 5.933 -6.457 -11.358 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.929 -6.821 -11.586 1.00 0.53 H new ATOM 0 HB3 LEU B 33 4.056 -8.128 -11.284 1.00 0.53 H new ATOM 0 HG LEU B 33 3.439 -5.780 -9.469 1.00 0.80 H new ATOM 0 HD11 LEU B 33 2.723 -7.553 -7.920 1.00 1.22 H new ATOM 0 HD12 LEU B 33 1.806 -7.598 -9.444 1.00 1.22 H new ATOM 0 HD13 LEU B 33 3.105 -8.778 -9.152 1.00 1.22 H new ATOM 0 HD21 LEU B 33 5.059 -6.744 -7.891 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.538 -7.940 -9.118 1.00 0.83 H new ATOM 0 HD23 LEU B 33 5.841 -6.209 -9.397 1.00 0.83 H new ATOM 1387 N ARG B 34 4.143 -6.393 -14.141 1.00 0.47 N ATOM 1388 CA ARG B 34 4.131 -6.831 -15.532 1.00 0.59 C ATOM 1389 C ARG B 34 5.294 -6.217 -16.305 1.00 0.58 C ATOM 1390 O ARG B 34 5.782 -6.795 -17.274 1.00 0.69 O ATOM 1391 CB ARG B 34 2.803 -6.475 -16.205 1.00 0.70 C ATOM 1392 CG ARG B 34 1.588 -7.125 -15.556 1.00 1.41 C ATOM 1393 CD ARG B 34 1.739 -8.637 -15.456 1.00 1.46 C ATOM 1394 NE ARG B 34 0.512 -9.278 -14.984 1.00 2.18 N ATOM 1395 CZ ARG B 34 0.398 -9.932 -13.827 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.440 -10.049 -13.012 1.00 2.19 N ATOM 1397 NH2 ARG B 34 -0.760 -10.487 -13.490 1.00 3.50 N ATOM 0 H ARG B 34 3.375 -5.772 -13.885 1.00 0.47 H new ATOM 0 HA ARG B 34 4.243 -7.915 -15.541 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.677 -5.393 -16.187 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.846 -6.773 -17.252 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.442 -6.708 -14.560 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.696 -6.887 -16.135 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.007 -9.040 -16.433 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.558 -8.876 -14.777 1.00 1.46 H new ATOM 0 HE ARG B 34 -0.313 -9.221 -15.581 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.337 -9.637 -13.269 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.343 -10.551 -12.129 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -1.562 -10.413 -14.116 1.00 3.50 H new ATOM 0 HH22 ARG B 34 -0.848 -10.987 -12.605 1.00 3.50 H new ATOM 1411 N HIS B 35 5.746 -5.049 -15.862 1.00 0.53 N ATOM 1412 CA HIS B 35 6.874 -4.375 -16.501 1.00 0.59 C ATOM 1413 C HIS B 35 8.203 -4.843 -15.919 1.00 0.58 C ATOM 1414 O HIS B 35 9.262 -4.339 -16.288 1.00 0.74 O ATOM 1415 CB HIS B 35 6.751 -2.855 -16.365 1.00 0.59 C ATOM 1416 CG HIS B 35 5.731 -2.251 -17.280 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.679 -1.479 -16.840 1.00 1.99 N ATOM 1418 CD2 HIS B 35 5.618 -2.301 -18.628 1.00 1.62 C ATOM 1419 CE1 HIS B 35 3.964 -1.084 -17.874 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.511 -1.567 -18.970 1.00 2.43 N ATOM 0 H HIS B 35 5.351 -4.549 -15.065 1.00 0.53 H new ATOM 0 HA HIS B 35 6.851 -4.637 -17.559 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.492 -2.611 -15.335 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.721 -2.401 -16.566 1.00 0.59 H new ATOM 0 HD1 HIS B 35 4.484 -1.249 -15.866 1.00 1.99 H new ATOM 0 HD2 HIS B 35 6.277 -2.822 -19.307 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.078 -0.468 -17.830 1.00 2.69 H new ATOM 1429 N GLY B 36 8.139 -5.808 -15.009 1.00 0.49 N ATOM 1430 CA GLY B 36 9.342 -6.382 -14.435 1.00 0.51 C ATOM 1431 C GLY B 36 10.095 -5.414 -13.543 1.00 0.47 C ATOM 1432 O GLY B 36 11.326 -5.437 -13.497 1.00 0.53 O ATOM 0 H GLY B 36 7.269 -6.206 -14.656 1.00 0.49 H new ATOM 0 HA2 GLY B 36 9.075 -7.267 -13.857 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.999 -6.712 -15.239 1.00 0.51 H new ATOM 1436 N GLY B 37 9.358 -4.565 -12.838 1.00 0.41 N ATOM 1437 CA GLY B 37 9.973 -3.613 -11.932 1.00 0.40 C ATOM 1438 C GLY B 37 10.682 -4.301 -10.784 1.00 0.39 C ATOM 1439 O GLY B 37 11.861 -4.058 -10.534 1.00 0.53 O ATOM 0 H GLY B 37 8.340 -4.519 -12.878 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.685 -2.997 -12.481 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.210 -2.942 -11.537 1.00 0.40 H new ATOM 1443 N LEU B 38 9.962 -5.166 -10.089 1.00 0.36 N ATOM 1444 CA LEU B 38 10.546 -5.955 -9.015 1.00 0.41 C ATOM 1445 C LEU B 38 11.043 -7.283 -9.572 1.00 0.49 C ATOM 1446 O LEU B 38 10.513 -7.777 -10.572 1.00 0.83 O ATOM 1447 CB LEU B 38 9.526 -6.201 -7.891 1.00 0.44 C ATOM 1448 CG LEU B 38 9.257 -5.017 -6.944 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.540 -4.561 -6.269 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.607 -3.858 -7.682 1.00 0.47 C ATOM 0 H LEU B 38 8.970 -5.340 -10.249 1.00 0.36 H new ATOM 0 HA LEU B 38 11.383 -5.400 -8.592 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.581 -6.497 -8.345 1.00 0.44 H new ATOM 0 HB3 LEU B 38 9.871 -7.045 -7.294 1.00 0.44 H new ATOM 0 HG LEU B 38 8.565 -5.361 -6.175 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.324 -3.724 -5.605 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.959 -5.384 -5.690 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.258 -4.247 -7.027 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.430 -3.038 -6.987 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.266 -3.520 -8.481 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.658 -4.184 -8.108 1.00 0.47 H new ATOM 1462 N SER B 39 12.064 -7.845 -8.931 1.00 0.47 N ATOM 1463 CA SER B 39 12.654 -9.103 -9.372 1.00 0.54 C ATOM 1464 C SER B 39 11.640 -10.232 -9.223 1.00 0.48 C ATOM 1465 O SER B 39 10.725 -10.126 -8.418 1.00 0.45 O ATOM 1466 CB SER B 39 13.920 -9.400 -8.565 1.00 0.67 C ATOM 1467 OG SER B 39 14.646 -10.482 -9.121 1.00 1.42 O ATOM 0 H SER B 39 12.501 -7.446 -8.100 1.00 0.47 H new ATOM 0 HA SER B 39 12.929 -9.022 -10.424 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.552 -8.512 -8.537 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.650 -9.632 -7.535 1.00 0.67 H new ATOM 0 HG SER B 39 15.450 -10.647 -8.585 1.00 1.42 H new ATOM 1473 N SER B 40 11.829 -11.310 -9.982 1.00 0.59 N ATOM 1474 CA SER B 40 10.843 -12.390 -10.109 1.00 0.61 C ATOM 1475 C SER B 40 10.205 -12.812 -8.775 1.00 0.53 C ATOM 1476 O SER B 40 8.978 -12.900 -8.677 1.00 0.49 O ATOM 1477 CB SER B 40 11.497 -13.592 -10.789 1.00 0.77 C ATOM 1478 OG SER B 40 12.787 -13.841 -10.250 1.00 1.63 O ATOM 0 H SER B 40 12.675 -11.463 -10.531 1.00 0.59 H new ATOM 0 HA SER B 40 10.026 -12.002 -10.717 1.00 0.61 H new ATOM 0 HB2 SER B 40 10.869 -14.473 -10.661 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.576 -13.410 -11.861 1.00 0.77 H new ATOM 0 HG SER B 40 13.185 -14.616 -10.699 1.00 1.63 H new ATOM 1484 N ASP B 41 11.023 -13.059 -7.754 1.00 0.57 N ATOM 1485 CA ASP B 41 10.508 -13.482 -6.450 1.00 0.58 C ATOM 1486 C ASP B 41 9.603 -12.414 -5.850 1.00 0.53 C ATOM 1487 O ASP B 41 8.459 -12.685 -5.481 1.00 0.55 O ATOM 1488 CB ASP B 41 11.655 -13.787 -5.484 1.00 0.71 C ATOM 1489 CG ASP B 41 11.158 -14.165 -4.101 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.769 -15.335 -3.904 1.00 1.69 O ATOM 1491 OD2 ASP B 41 11.154 -13.295 -3.202 1.00 2.21 O ATOM 0 H ASP B 41 12.038 -12.975 -7.802 1.00 0.57 H new ATOM 0 HA ASP B 41 9.926 -14.390 -6.605 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.259 -14.601 -5.886 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.305 -12.915 -5.408 1.00 0.71 H new ATOM 1496 N ALA B 42 10.122 -11.198 -5.773 1.00 0.51 N ATOM 1497 CA ALA B 42 9.374 -10.067 -5.244 1.00 0.50 C ATOM 1498 C ALA B 42 8.168 -9.757 -6.124 1.00 0.47 C ATOM 1499 O ALA B 42 7.110 -9.362 -5.638 1.00 0.52 O ATOM 1500 CB ALA B 42 10.282 -8.851 -5.152 1.00 0.54 C ATOM 0 H ALA B 42 11.069 -10.968 -6.074 1.00 0.51 H new ATOM 0 HA ALA B 42 9.012 -10.323 -4.248 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.719 -8.006 -4.756 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.120 -9.072 -4.490 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.659 -8.603 -6.144 1.00 0.54 H new ATOM 1506 N GLN B 43 8.350 -9.958 -7.418 1.00 0.44 N ATOM 1507 CA GLN B 43 7.336 -9.670 -8.416 1.00 0.45 C ATOM 1508 C GLN B 43 6.074 -10.481 -8.149 1.00 0.45 C ATOM 1509 O GLN B 43 4.990 -9.928 -7.958 1.00 0.48 O ATOM 1510 CB GLN B 43 7.883 -10.010 -9.801 1.00 0.49 C ATOM 1511 CG GLN B 43 7.263 -9.217 -10.932 1.00 0.82 C ATOM 1512 CD GLN B 43 7.771 -9.670 -12.284 1.00 0.85 C ATOM 1513 OE1 GLN B 43 7.159 -10.512 -12.938 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.916 -9.148 -12.691 1.00 1.12 N ATOM 0 H GLN B 43 9.216 -10.330 -7.809 1.00 0.44 H new ATOM 0 HA GLN B 43 7.082 -8.611 -8.367 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.960 -9.842 -9.804 1.00 0.49 H new ATOM 0 HB3 GLN B 43 7.726 -11.072 -9.989 1.00 0.49 H new ATOM 0 HG2 GLN B 43 6.179 -9.323 -10.898 1.00 0.82 H new ATOM 0 HG3 GLN B 43 7.485 -8.158 -10.797 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.391 -8.451 -12.117 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.324 -9.442 -13.579 1.00 1.12 H new ATOM 1523 N GLU B 44 6.224 -11.795 -8.123 1.00 0.49 N ATOM 1524 CA GLU B 44 5.096 -12.680 -7.882 1.00 0.54 C ATOM 1525 C GLU B 44 4.555 -12.486 -6.472 1.00 0.51 C ATOM 1526 O GLU B 44 3.351 -12.570 -6.243 1.00 0.50 O ATOM 1527 CB GLU B 44 5.506 -14.135 -8.091 1.00 0.68 C ATOM 1528 CG GLU B 44 5.979 -14.438 -9.502 1.00 1.20 C ATOM 1529 CD GLU B 44 6.245 -15.910 -9.711 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.276 -16.663 -9.946 1.00 2.36 O ATOM 1531 OE2 GLU B 44 7.414 -16.332 -9.613 1.00 2.20 O ATOM 0 H GLU B 44 7.114 -12.272 -8.266 1.00 0.49 H new ATOM 0 HA GLU B 44 4.309 -12.432 -8.594 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.302 -14.384 -7.389 1.00 0.68 H new ATOM 0 HB3 GLU B 44 4.659 -14.780 -7.854 1.00 0.68 H new ATOM 0 HG2 GLU B 44 5.227 -14.102 -10.216 1.00 1.20 H new ATOM 0 HG3 GLU B 44 6.888 -13.873 -9.708 1.00 1.20 H new ATOM 1538 N SER B 45 5.455 -12.192 -5.541 1.00 0.54 N ATOM 1539 CA SER B 45 5.089 -12.032 -4.144 1.00 0.59 C ATOM 1540 C SER B 45 4.159 -10.830 -3.950 1.00 0.55 C ATOM 1541 O SER B 45 3.216 -10.894 -3.158 1.00 0.58 O ATOM 1542 CB SER B 45 6.349 -11.886 -3.289 1.00 0.71 C ATOM 1543 OG SER B 45 6.052 -11.993 -1.907 1.00 1.04 O ATOM 0 H SER B 45 6.448 -12.060 -5.733 1.00 0.54 H new ATOM 0 HA SER B 45 4.547 -12.922 -3.825 1.00 0.59 H new ATOM 0 HB2 SER B 45 7.071 -12.654 -3.568 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.816 -10.922 -3.489 1.00 0.71 H new ATOM 0 HG SER B 45 6.352 -11.183 -1.444 1.00 1.04 H new ATOM 1549 N LEU B 46 4.412 -9.739 -4.677 1.00 0.56 N ATOM 1550 CA LEU B 46 3.528 -8.577 -4.618 1.00 0.60 C ATOM 1551 C LEU B 46 2.138 -8.950 -5.095 1.00 0.50 C ATOM 1552 O LEU B 46 1.145 -8.536 -4.507 1.00 0.48 O ATOM 1553 CB LEU B 46 4.045 -7.407 -5.466 1.00 0.74 C ATOM 1554 CG LEU B 46 5.293 -6.692 -4.942 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.522 -5.388 -5.690 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.179 -6.428 -3.447 1.00 1.14 C ATOM 0 H LEU B 46 5.210 -9.638 -5.304 1.00 0.56 H new ATOM 0 HA LEU B 46 3.499 -8.257 -3.576 1.00 0.60 H new ATOM 0 HB2 LEU B 46 4.258 -7.778 -6.468 1.00 0.74 H new ATOM 0 HB3 LEU B 46 3.245 -6.673 -5.562 1.00 0.74 H new ATOM 0 HG LEU B 46 6.149 -7.345 -5.113 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.414 -4.897 -5.301 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.656 -5.596 -6.751 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.660 -4.735 -5.555 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.078 -5.919 -3.098 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.309 -5.801 -3.254 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.069 -7.375 -2.918 1.00 1.14 H new ATOM 1568 N GLU B 47 2.075 -9.746 -6.153 1.00 0.49 N ATOM 1569 CA GLU B 47 0.801 -10.144 -6.726 1.00 0.48 C ATOM 1570 C GLU B 47 0.039 -11.049 -5.762 1.00 0.43 C ATOM 1571 O GLU B 47 -1.181 -10.934 -5.632 1.00 0.45 O ATOM 1572 CB GLU B 47 1.014 -10.830 -8.076 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.272 -11.066 -8.850 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.027 -11.400 -10.307 1.00 1.06 C ATOM 1575 OE1 GLU B 47 1.150 -11.486 -10.720 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -1.012 -11.559 -11.057 1.00 1.52 O ATOM 0 H GLU B 47 2.892 -10.128 -6.630 1.00 0.49 H new ATOM 0 HA GLU B 47 0.199 -9.251 -6.893 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.686 -10.221 -8.681 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.511 -11.787 -7.913 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.827 -11.880 -8.384 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.898 -10.176 -8.786 1.00 0.81 H new ATOM 1583 N VAL B 48 0.764 -11.931 -5.072 1.00 0.41 N ATOM 1584 CA VAL B 48 0.172 -12.750 -4.016 1.00 0.42 C ATOM 1585 C VAL B 48 -0.482 -11.847 -2.983 1.00 0.41 C ATOM 1586 O VAL B 48 -1.653 -12.017 -2.633 1.00 0.43 O ATOM 1587 CB VAL B 48 1.221 -13.627 -3.293 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.558 -14.493 -2.234 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.991 -14.490 -4.273 1.00 0.48 C ATOM 0 H VAL B 48 1.759 -12.095 -5.226 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.558 -13.406 -4.490 1.00 0.42 H new ATOM 0 HB VAL B 48 1.930 -12.958 -2.805 1.00 0.45 H new ATOM 0 HG11 VAL B 48 1.313 -15.102 -1.737 1.00 0.49 H new ATOM 0 HG12 VAL B 48 0.065 -13.856 -1.500 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.180 -15.142 -2.705 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.720 -15.094 -3.732 1.00 0.48 H new ATOM 0 HG22 VAL B 48 1.299 -15.145 -4.803 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.509 -13.853 -4.990 1.00 0.48 H new ATOM 1599 N ALA B 49 0.292 -10.875 -2.518 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.177 -9.904 -1.547 1.00 0.43 C ATOM 1601 C ALA B 49 -1.398 -9.164 -2.065 1.00 0.43 C ATOM 1602 O ALA B 49 -2.413 -9.057 -1.378 1.00 0.48 O ATOM 1603 CB ALA B 49 0.934 -8.920 -1.220 1.00 0.44 C ATOM 0 H ALA B 49 1.261 -10.740 -2.805 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.463 -10.436 -0.639 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.574 -8.194 -0.491 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.787 -9.458 -0.806 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.239 -8.401 -2.128 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.286 -8.674 -3.289 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.354 -7.934 -3.939 1.00 0.41 C ATOM 1611 C ILE B 50 -3.664 -8.717 -3.929 1.00 0.38 C ATOM 1612 O ILE B 50 -4.695 -8.187 -3.528 1.00 0.41 O ATOM 1613 CB ILE B 50 -1.960 -7.584 -5.393 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -0.943 -6.438 -5.411 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.186 -7.232 -6.226 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.392 -6.126 -6.790 1.00 0.62 C ATOM 0 H ILE B 50 -0.448 -8.779 -3.861 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.506 -7.013 -3.376 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.497 -8.464 -5.839 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.413 -5.542 -5.007 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.115 -6.690 -4.748 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -2.878 -6.991 -7.243 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -3.869 -8.082 -6.246 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.690 -6.372 -5.786 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.321 -5.304 -6.720 1.00 0.62 H new ATOM 0 HD12 ILE B 50 0.109 -7.008 -7.190 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.209 -5.842 -7.453 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.619 -9.977 -4.349 1.00 0.39 N ATOM 1629 CA GLN B 51 -4.823 -10.805 -4.397 1.00 0.43 C ATOM 1630 C GLN B 51 -5.458 -10.911 -3.015 1.00 0.43 C ATOM 1631 O GLN B 51 -6.678 -10.775 -2.859 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.499 -12.204 -4.926 1.00 0.51 C ATOM 1633 CG GLN B 51 -3.928 -12.219 -6.336 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.819 -11.512 -7.339 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -5.716 -12.115 -7.924 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.565 -10.234 -7.554 1.00 1.35 N ATOM 0 H GLN B 51 -2.769 -10.447 -4.660 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.530 -10.328 -5.076 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.786 -12.679 -4.252 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.407 -12.807 -4.907 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -2.947 -11.744 -6.331 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -3.781 -13.252 -6.652 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -3.811 -9.772 -7.047 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.123 -9.709 -8.227 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.616 -11.125 -2.015 1.00 0.45 N ATOM 1646 CA CYS B 52 -5.074 -11.270 -0.645 1.00 0.52 C ATOM 1647 C CYS B 52 -5.695 -9.972 -0.132 1.00 0.53 C ATOM 1648 O CYS B 52 -6.834 -9.961 0.340 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.910 -11.685 0.256 1.00 0.59 C ATOM 1650 SG CYS B 52 -3.052 -13.177 -0.296 1.00 0.69 S ATOM 0 H CYS B 52 -3.605 -11.202 -2.130 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.840 -12.045 -0.624 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -3.194 -10.865 0.309 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -4.285 -11.846 1.267 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.173 -12.863 -1.201 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.961 -8.870 -0.247 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.412 -7.620 0.338 1.00 0.53 C ATOM 1658 C LEU B 53 -6.474 -6.922 -0.508 1.00 0.50 C ATOM 1659 O LEU B 53 -7.224 -6.107 0.011 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.238 -6.690 0.686 1.00 0.63 C ATOM 1661 CG LEU B 53 -3.262 -6.325 -0.422 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -3.929 -5.435 -1.435 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.058 -5.630 0.183 1.00 0.61 C ATOM 0 H LEU B 53 -4.065 -8.820 -0.733 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.899 -7.879 1.278 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.653 -5.764 1.084 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -3.670 -7.157 1.491 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.936 -7.232 -0.931 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -3.218 -5.182 -2.222 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -4.782 -5.955 -1.870 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -4.271 -4.522 -0.948 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.355 -5.366 -0.607 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -2.381 -4.725 0.698 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -1.571 -6.298 0.893 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.567 -7.246 -1.793 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.603 -6.647 -2.630 1.00 0.50 C ATOM 1677 C GLU B 54 -8.968 -7.152 -2.184 1.00 0.56 C ATOM 1678 O GLU B 54 -9.943 -6.403 -2.144 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.375 -6.959 -4.112 1.00 0.55 C ATOM 1680 CG GLU B 54 -8.210 -6.110 -5.077 1.00 0.73 C ATOM 1681 CD GLU B 54 -8.137 -6.630 -6.497 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -8.780 -7.656 -6.790 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -7.433 -6.017 -7.326 1.00 1.66 O ATOM 0 H GLU B 54 -5.953 -7.905 -2.271 1.00 0.46 H new ATOM 0 HA GLU B 54 -7.559 -5.564 -2.514 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -6.319 -6.815 -4.342 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.599 -8.011 -4.287 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -9.249 -6.102 -4.747 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -7.858 -5.079 -5.050 1.00 0.73 H new ATOM 1690 N THR B 55 -9.009 -8.423 -1.816 1.00 0.61 N ATOM 1691 CA THR B 55 -10.219 -9.042 -1.304 1.00 0.77 C ATOM 1692 C THR B 55 -10.505 -8.580 0.131 1.00 0.83 C ATOM 1693 O THR B 55 -11.650 -8.561 0.582 1.00 0.98 O ATOM 1694 CB THR B 55 -10.076 -10.574 -1.329 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.644 -11.002 -2.629 1.00 0.99 O ATOM 1696 CG2 THR B 55 -11.390 -11.250 -0.977 1.00 1.15 C ATOM 0 H THR B 55 -8.207 -9.052 -1.864 1.00 0.61 H new ATOM 0 HA THR B 55 -11.051 -8.740 -1.941 1.00 0.77 H new ATOM 0 HB THR B 55 -9.333 -10.859 -0.585 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.669 -10.921 -2.693 1.00 0.99 H new ATOM 0 HG21 THR B 55 -11.261 -12.332 -1.002 1.00 1.15 H new ATOM 0 HG22 THR B 55 -11.700 -10.945 0.022 1.00 1.15 H new ATOM 0 HG23 THR B 55 -12.154 -10.959 -1.698 1.00 1.15 H new ATOM 1704 N ALA B 56 -9.449 -8.195 0.830 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.533 -7.850 2.246 1.00 0.87 C ATOM 1706 C ALA B 56 -9.873 -6.381 2.481 1.00 0.88 C ATOM 1707 O ALA B 56 -10.717 -6.046 3.311 1.00 1.14 O ATOM 1708 CB ALA B 56 -8.208 -8.162 2.915 1.00 0.89 C ATOM 0 H ALA B 56 -8.512 -8.112 0.436 1.00 0.76 H new ATOM 0 HA ALA B 56 -10.341 -8.444 2.674 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -8.265 -7.906 3.973 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -7.989 -9.225 2.810 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.416 -7.580 2.443 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.211 -5.523 1.734 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.158 -4.097 2.030 1.00 1.05 C ATOM 1716 C PHE B 57 -10.443 -3.358 1.624 1.00 1.57 C ATOM 1717 O PHE B 57 -10.712 -2.259 2.106 1.00 2.06 O ATOM 1718 CB PHE B 57 -7.958 -3.515 1.284 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.172 -2.470 2.015 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.791 -1.386 2.607 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -5.792 -2.564 2.069 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -7.046 -0.412 3.240 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.044 -1.598 2.705 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.669 -0.520 3.288 1.00 0.92 C ATOM 0 H PHE B 57 -8.690 -5.791 0.899 1.00 0.76 H new ATOM 0 HA PHE B 57 -9.060 -3.965 3.108 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -7.285 -4.333 1.026 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -8.312 -3.085 0.347 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -8.867 -1.300 2.574 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -5.296 -3.405 1.607 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -7.538 0.434 3.697 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -3.968 -1.687 2.746 1.00 1.50 H new ATOM 0 HZ PHE B 57 -5.084 0.241 3.783 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.245 -3.972 0.758 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.378 -3.263 0.173 1.00 2.29 C ATOM 1736 C GLY B 58 -11.905 -2.336 -0.929 1.00 2.05 C ATOM 1737 O GLY B 58 -12.160 -1.141 -0.918 1.00 2.60 O ATOM 0 H GLY B 58 -11.135 -4.939 0.451 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.096 -3.978 -0.227 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -12.894 -2.690 0.943 1.00 2.29 H new ATOM 1741 N VAL B 59 -11.220 -2.928 -1.880 1.00 1.35 N ATOM 1742 CA VAL B 59 -10.354 -2.246 -2.828 1.00 1.13 C ATOM 1743 C VAL B 59 -10.509 -2.838 -4.213 1.00 1.04 C ATOM 1744 O VAL B 59 -11.584 -3.321 -4.555 1.00 1.22 O ATOM 1745 CB VAL B 59 -8.899 -2.110 -2.375 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -8.845 -1.277 -1.116 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -8.250 -3.440 -2.145 1.00 1.00 C ATOM 0 H VAL B 59 -11.248 -3.937 -2.024 1.00 1.35 H new ATOM 0 HA VAL B 59 -10.693 -1.211 -2.873 1.00 1.13 H new ATOM 0 HB VAL B 59 -8.342 -1.619 -3.173 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -7.810 -1.178 -0.790 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -9.259 -0.289 -1.316 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -9.427 -1.763 -0.333 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -7.219 -3.291 -1.825 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -8.795 -3.982 -1.372 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -8.263 -4.016 -3.070 1.00 1.00 H new ATOM 1757 N THR B 60 -9.441 -2.766 -4.990 1.00 1.17 N ATOM 1758 CA THR B 60 -9.374 -2.742 -6.458 1.00 1.30 C ATOM 1759 C THR B 60 -10.165 -3.856 -7.156 1.00 1.16 C ATOM 1760 O THR B 60 -10.968 -4.536 -6.533 1.00 1.14 O ATOM 1761 CB THR B 60 -7.902 -2.918 -6.844 1.00 1.94 C ATOM 1762 OG1 THR B 60 -7.081 -2.505 -5.751 1.00 2.24 O ATOM 1763 CG2 THR B 60 -7.536 -2.108 -8.070 1.00 2.38 C ATOM 0 H THR B 60 -8.508 -2.718 -4.580 1.00 1.17 H new ATOM 0 HA THR B 60 -9.814 -1.798 -6.779 1.00 1.30 H new ATOM 0 HB THR B 60 -7.740 -3.970 -7.077 1.00 1.94 H new ATOM 0 HG1 THR B 60 -6.582 -1.700 -6.003 1.00 2.24 H new ATOM 0 HG21 THR B 60 -6.484 -2.263 -8.308 1.00 2.38 H new ATOM 0 HG22 THR B 60 -8.149 -2.427 -8.913 1.00 2.38 H new ATOM 0 HG23 THR B 60 -7.712 -1.050 -7.873 1.00 2.38 H new ATOM 1771 N VAL B 61 -9.879 -4.165 -8.415 1.00 1.40 N ATOM 1772 CA VAL B 61 -10.762 -3.984 -9.592 1.00 1.59 C ATOM 1773 C VAL B 61 -12.282 -3.795 -9.345 1.00 1.83 C ATOM 1774 O VAL B 61 -12.946 -3.191 -10.194 1.00 2.11 O ATOM 1775 CB VAL B 61 -10.622 -5.295 -10.427 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -11.152 -6.504 -9.648 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.313 -5.190 -11.775 1.00 1.95 C ATOM 0 H VAL B 61 -8.979 -4.572 -8.671 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.436 -3.053 -10.055 1.00 1.59 H new ATOM 0 HB VAL B 61 -9.558 -5.439 -10.613 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -11.042 -7.404 -10.254 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -10.586 -6.618 -8.723 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -12.205 -6.352 -9.412 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.189 -6.125 -12.321 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.375 -4.995 -11.625 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.871 -4.374 -12.348 1.00 1.95 H new ATOM 1787 N GLU B 62 -12.817 -4.132 -8.200 1.00 1.89 N ATOM 1788 CA GLU B 62 -14.178 -3.701 -7.879 1.00 2.15 C ATOM 1789 C GLU B 62 -14.165 -2.213 -7.499 1.00 1.63 C ATOM 1790 O GLU B 62 -14.779 -1.345 -8.151 1.00 1.65 O ATOM 1791 CB GLU B 62 -14.734 -4.534 -6.727 1.00 2.86 C ATOM 1792 CG GLU B 62 -14.855 -6.010 -7.054 1.00 3.13 C ATOM 1793 CD GLU B 62 -15.824 -6.271 -8.186 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -17.048 -6.249 -7.940 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -15.372 -6.494 -9.322 1.00 3.97 O ATOM 0 H GLU B 62 -12.355 -4.690 -7.481 1.00 1.89 H new ATOM 0 HA GLU B 62 -14.817 -3.844 -8.750 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -14.088 -4.414 -5.857 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -15.716 -4.149 -6.451 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -13.874 -6.402 -7.321 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -15.183 -6.551 -6.166 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.398 -1.901 -6.480 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.247 -0.531 -6.044 1.00 1.61 C ATOM 1804 C ASP B 63 -12.303 0.217 -6.980 1.00 1.59 C ATOM 1805 O ASP B 63 -11.946 1.367 -6.744 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.791 -0.487 -4.591 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.873 -1.004 -3.654 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.961 -2.233 -3.449 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -14.658 -0.192 -3.135 1.00 3.62 O ATOM 0 H ASP B 63 -12.867 -2.580 -5.935 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.211 -0.024 -6.090 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.888 -1.087 -4.473 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.532 0.536 -4.320 1.00 1.89 H new ATOM 1814 N SER B 64 -11.880 -0.464 -8.039 1.00 1.56 N ATOM 1815 CA SER B 64 -11.186 0.187 -9.136 1.00 1.82 C ATOM 1816 C SER B 64 -12.218 0.742 -10.107 1.00 1.73 C ATOM 1817 O SER B 64 -11.938 1.656 -10.874 1.00 1.91 O ATOM 1818 CB SER B 64 -10.268 -0.792 -9.860 1.00 2.42 C ATOM 1819 OG SER B 64 -9.371 -0.123 -10.730 1.00 2.92 O ATOM 0 H SER B 64 -12.008 -1.469 -8.158 1.00 1.56 H new ATOM 0 HA SER B 64 -10.570 0.994 -8.739 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.703 -1.370 -9.129 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.869 -1.500 -10.431 1.00 2.42 H new ATOM 0 HG SER B 64 -8.797 -0.780 -11.176 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.418 0.163 -10.081 1.00 1.68 N ATOM 1826 CA ASP B 65 -14.545 0.724 -10.816 1.00 2.03 C ATOM 1827 C ASP B 65 -14.863 2.112 -10.280 1.00 1.91 C ATOM 1828 O ASP B 65 -15.207 3.019 -11.036 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.777 -0.179 -10.711 1.00 2.26 C ATOM 1830 CG ASP B 65 -17.010 0.441 -11.339 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -17.119 0.438 -12.581 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -17.879 0.936 -10.594 1.00 3.35 O ATOM 0 H ASP B 65 -13.632 -0.689 -9.562 1.00 1.68 H new ATOM 0 HA ASP B 65 -14.271 0.795 -11.869 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.567 -1.132 -11.196 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.977 -0.393 -9.661 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.727 2.283 -8.968 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.896 3.620 -8.361 1.00 1.62 C ATOM 1839 C LEU B 66 -13.603 4.451 -8.425 1.00 1.45 C ATOM 1840 O LEU B 66 -13.367 5.322 -7.584 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.444 3.542 -6.921 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.664 2.691 -5.918 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.588 3.507 -5.215 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.618 2.095 -4.899 1.00 1.57 C ATOM 0 H LEU B 66 -14.505 1.537 -8.309 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.644 4.138 -8.961 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.504 4.557 -6.528 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.463 3.158 -6.968 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.169 1.889 -6.465 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.053 2.872 -4.509 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.888 3.899 -5.953 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.052 4.335 -4.679 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.058 1.490 -4.187 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.132 2.897 -4.369 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.351 1.470 -5.409 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.786 4.167 -9.440 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.466 4.787 -9.629 1.00 1.26 C ATOM 1858 C ALA B 67 -11.446 6.311 -9.455 1.00 1.28 C ATOM 1859 O ALA B 67 -12.440 7.006 -9.689 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.939 4.445 -11.011 1.00 1.48 C ATOM 0 H ALA B 67 -13.022 3.491 -10.166 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.833 4.379 -8.841 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.961 4.904 -11.151 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.849 3.363 -11.109 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -11.628 4.822 -11.767 1.00 1.48 H new ATOM 1866 N LEU B 68 -10.274 6.808 -9.066 1.00 1.16 N ATOM 1867 CA LEU B 68 -10.024 8.235 -8.891 1.00 1.29 C ATOM 1868 C LEU B 68 -9.311 8.803 -10.125 1.00 1.56 C ATOM 1869 O LEU B 68 -8.779 8.037 -10.929 1.00 1.55 O ATOM 1870 CB LEU B 68 -9.170 8.470 -7.637 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.850 8.158 -6.303 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.891 8.406 -5.147 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -11.109 8.996 -6.139 1.00 1.18 C ATOM 0 H LEU B 68 -9.463 6.224 -8.861 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.979 8.746 -8.770 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -8.268 7.863 -7.715 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.852 9.513 -7.627 1.00 1.25 H new ATOM 0 HG LEU B 68 -10.133 7.105 -6.297 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -9.390 8.179 -4.205 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -8.016 7.766 -5.257 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -8.580 9.451 -5.150 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.580 8.761 -5.185 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.848 10.054 -6.164 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.802 8.774 -6.950 1.00 1.18 H new ATOM 1885 N PRO B 69 -9.297 10.141 -10.305 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.716 10.779 -11.501 1.00 2.36 C ATOM 1887 C PRO B 69 -7.268 10.368 -11.785 1.00 2.25 C ATOM 1888 O PRO B 69 -6.944 9.961 -12.904 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.777 12.271 -11.170 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.898 12.394 -10.201 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.866 11.138 -9.378 1.00 2.06 C ATOM 0 HA PRO B 69 -9.261 10.486 -12.398 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.839 12.620 -10.738 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.958 12.868 -12.064 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -9.777 13.276 -9.573 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -10.852 12.499 -10.718 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.250 11.256 -8.487 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.862 10.852 -9.041 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.408 10.448 -10.777 1.00 1.85 N ATOM 1900 CA GLN B 70 -5.002 10.102 -10.955 1.00 1.82 C ATOM 1901 C GLN B 70 -4.618 8.982 -10.010 1.00 1.41 C ATOM 1902 O GLN B 70 -5.375 8.645 -9.096 1.00 1.29 O ATOM 1903 CB GLN B 70 -4.096 11.319 -10.721 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.919 11.712 -9.259 1.00 1.65 C ATOM 1905 CD GLN B 70 -3.078 12.959 -9.102 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -3.594 14.077 -9.055 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.771 12.781 -9.036 1.00 2.76 N ATOM 0 H GLN B 70 -6.656 10.747 -9.834 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.864 9.769 -11.984 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -3.115 11.111 -11.148 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.507 12.170 -11.264 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.897 11.876 -8.807 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.452 10.890 -8.717 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -1.382 11.839 -9.078 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -1.151 13.585 -8.943 1.00 2.76 H new ATOM 1916 N THR B 71 -3.448 8.399 -10.225 1.00 1.34 N ATOM 1917 CA THR B 71 -2.978 7.361 -9.339 1.00 1.13 C ATOM 1918 C THR B 71 -2.439 7.980 -8.058 1.00 0.85 C ATOM 1919 O THR B 71 -1.808 9.040 -8.074 1.00 0.83 O ATOM 1920 CB THR B 71 -1.877 6.506 -10.012 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.832 7.344 -10.523 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.455 5.667 -11.143 1.00 1.55 C ATOM 0 H THR B 71 -2.819 8.627 -10.995 1.00 1.34 H new ATOM 0 HA THR B 71 -3.819 6.709 -9.104 1.00 1.13 H new ATOM 0 HB THR B 71 -1.465 5.839 -9.255 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.143 6.788 -10.944 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.661 5.076 -11.600 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.222 5.001 -10.747 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.896 6.323 -11.894 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.674 7.293 -6.955 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.193 7.733 -5.657 1.00 0.66 C ATOM 1932 C LEU B 72 -0.680 7.564 -5.544 1.00 0.66 C ATOM 1933 O LEU B 72 -0.017 8.465 -5.051 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.912 6.995 -4.520 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.249 7.599 -4.064 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.020 8.914 -3.336 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.192 7.806 -5.241 1.00 1.79 C ATOM 0 H LEU B 72 -3.200 6.420 -6.932 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.420 8.795 -5.564 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.089 5.967 -4.836 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.243 6.953 -3.660 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.715 6.893 -3.377 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -4.978 9.327 -3.021 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.394 8.741 -2.461 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.524 9.618 -4.004 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -6.129 8.235 -4.885 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.733 8.484 -5.960 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.390 6.848 -5.721 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.100 6.416 -5.978 1.00 0.75 N ATOM 1950 CA PRO B 73 1.359 6.244 -6.030 1.00 0.84 C ATOM 1951 C PRO B 73 2.087 7.430 -6.668 1.00 0.80 C ATOM 1952 O PRO B 73 3.186 7.777 -6.245 1.00 0.82 O ATOM 1953 CB PRO B 73 1.527 4.985 -6.872 1.00 1.03 C ATOM 1954 CG PRO B 73 0.327 4.180 -6.536 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.793 5.172 -6.390 1.00 0.84 C ATOM 0 HA PRO B 73 1.793 6.174 -5.033 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.570 5.217 -7.936 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.447 4.456 -6.624 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.109 3.454 -7.320 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.477 3.618 -5.614 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.336 5.306 -7.326 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.519 4.851 -5.643 1.00 0.84 H new ATOM 1963 N GLU B 74 1.467 8.057 -7.668 1.00 0.78 N ATOM 1964 CA GLU B 74 2.040 9.246 -8.297 1.00 0.78 C ATOM 1965 C GLU B 74 2.091 10.397 -7.294 1.00 0.64 C ATOM 1966 O GLU B 74 3.122 11.059 -7.133 1.00 0.64 O ATOM 1967 CB GLU B 74 1.222 9.644 -9.528 1.00 0.86 C ATOM 1968 CG GLU B 74 1.788 10.836 -10.280 1.00 1.21 C ATOM 1969 CD GLU B 74 1.036 11.124 -11.562 1.00 1.47 C ATOM 1970 OE1 GLU B 74 1.396 10.546 -12.608 1.00 1.67 O ATOM 1971 OE2 GLU B 74 0.088 11.933 -11.533 1.00 2.27 O ATOM 0 H GLU B 74 0.572 7.763 -8.058 1.00 0.78 H new ATOM 0 HA GLU B 74 3.056 9.018 -8.619 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.165 8.792 -10.206 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.203 9.873 -9.217 1.00 0.86 H new ATOM 0 HG2 GLU B 74 1.754 11.716 -9.638 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.837 10.650 -10.512 1.00 1.21 H new ATOM 1978 N ILE B 75 0.976 10.616 -6.607 1.00 0.58 N ATOM 1979 CA ILE B 75 0.914 11.594 -5.526 1.00 0.53 C ATOM 1980 C ILE B 75 1.939 11.242 -4.456 1.00 0.49 C ATOM 1981 O ILE B 75 2.597 12.112 -3.884 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.491 11.627 -4.885 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.532 12.061 -5.918 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.517 12.552 -3.673 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.954 12.048 -5.403 1.00 1.37 C ATOM 0 H ILE B 75 0.098 10.127 -6.780 1.00 0.58 H new ATOM 0 HA ILE B 75 1.131 12.576 -5.946 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.736 10.621 -4.543 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.290 13.067 -6.261 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.465 11.403 -6.785 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.518 12.557 -3.241 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.198 12.198 -2.930 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.250 13.563 -3.981 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.631 12.368 -6.195 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.217 11.039 -5.087 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.040 12.728 -4.555 1.00 1.37 H new ATOM 1997 N PHE B 76 2.084 9.949 -4.213 1.00 0.50 N ATOM 1998 CA PHE B 76 3.005 9.464 -3.206 1.00 0.56 C ATOM 1999 C PHE B 76 4.445 9.694 -3.642 1.00 0.59 C ATOM 2000 O PHE B 76 5.331 9.845 -2.808 1.00 0.72 O ATOM 2001 CB PHE B 76 2.774 7.978 -2.915 1.00 0.65 C ATOM 2002 CG PHE B 76 1.372 7.648 -2.472 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.521 8.633 -1.990 1.00 2.12 C ATOM 2004 CD2 PHE B 76 0.905 6.347 -2.544 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -0.763 8.323 -1.590 1.00 2.24 C ATOM 2006 CE2 PHE B 76 -0.378 6.032 -2.145 1.00 2.35 C ATOM 2007 CZ PHE B 76 -1.213 7.022 -1.667 1.00 2.37 C ATOM 0 H PHE B 76 1.572 9.216 -4.704 1.00 0.50 H new ATOM 0 HA PHE B 76 2.821 10.024 -2.289 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.005 7.403 -3.812 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.473 7.657 -2.142 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.868 9.654 -1.927 1.00 2.12 H new ATOM 0 HD2 PHE B 76 1.553 5.568 -2.917 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.415 9.099 -1.217 1.00 2.24 H new ATOM 0 HE2 PHE B 76 -0.728 5.012 -2.207 1.00 2.35 H new ATOM 0 HZ PHE B 76 -2.217 6.778 -1.354 1.00 2.37 H new ATOM 2017 N GLU B 77 4.678 9.732 -4.949 1.00 0.62 N ATOM 2018 CA GLU B 77 6.006 10.029 -5.471 1.00 0.73 C ATOM 2019 C GLU B 77 6.394 11.458 -5.124 1.00 0.69 C ATOM 2020 O GLU B 77 7.572 11.782 -5.013 1.00 0.79 O ATOM 2021 CB GLU B 77 6.071 9.816 -6.985 1.00 0.89 C ATOM 2022 CG GLU B 77 5.917 8.365 -7.405 1.00 1.56 C ATOM 2023 CD GLU B 77 6.056 8.171 -8.900 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.091 8.463 -9.634 1.00 2.40 O ATOM 2025 OE2 GLU B 77 7.130 7.717 -9.349 1.00 2.51 O ATOM 0 H GLU B 77 3.969 9.562 -5.663 1.00 0.62 H new ATOM 0 HA GLU B 77 6.713 9.342 -5.007 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.288 10.407 -7.460 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.024 10.193 -7.355 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.667 7.762 -6.893 1.00 1.56 H new ATOM 0 HG3 GLU B 77 4.941 8.000 -7.085 1.00 1.56 H new ATOM 2032 N ALA B 78 5.391 12.304 -4.952 1.00 0.60 N ATOM 2033 CA ALA B 78 5.618 13.679 -4.533 1.00 0.61 C ATOM 2034 C ALA B 78 5.707 13.786 -3.009 1.00 0.60 C ATOM 2035 O ALA B 78 6.639 14.383 -2.473 1.00 0.64 O ATOM 2036 CB ALA B 78 4.513 14.576 -5.064 1.00 0.64 C ATOM 0 H ALA B 78 4.410 12.063 -5.096 1.00 0.60 H new ATOM 0 HA ALA B 78 6.571 14.008 -4.947 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.693 15.603 -4.745 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.500 14.532 -6.153 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.552 14.238 -4.676 1.00 0.64 H new ATOM 2042 N ALA B 79 4.744 13.186 -2.319 1.00 0.64 N ATOM 2043 CA ALA B 79 4.640 13.314 -0.866 1.00 0.75 C ATOM 2044 C ALA B 79 5.697 12.494 -0.126 1.00 0.86 C ATOM 2045 O ALA B 79 6.351 12.994 0.784 1.00 0.99 O ATOM 2046 CB ALA B 79 3.250 12.904 -0.405 1.00 0.83 C ATOM 0 H ALA B 79 4.021 12.604 -2.742 1.00 0.64 H new ATOM 0 HA ALA B 79 4.818 14.362 -0.624 1.00 0.75 H new ATOM 0 HB1 ALA B 79 3.182 13.003 0.678 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.506 13.547 -0.875 1.00 0.83 H new ATOM 0 HB3 ALA B 79 3.064 11.868 -0.687 1.00 0.83 H new ATOM 2052 N ALA B 80 5.873 11.242 -0.529 1.00 0.90 N ATOM 2053 CA ALA B 80 6.740 10.313 0.193 1.00 1.11 C ATOM 2054 C ALA B 80 8.221 10.620 -0.032 1.00 1.26 C ATOM 2055 O ALA B 80 9.088 10.075 0.656 1.00 1.55 O ATOM 2056 CB ALA B 80 6.412 8.878 -0.197 1.00 1.25 C ATOM 0 H ALA B 80 5.426 10.843 -1.355 1.00 0.90 H new ATOM 0 HA ALA B 80 6.550 10.439 1.259 1.00 1.11 H new ATOM 0 HB1 ALA B 80 7.064 8.195 0.347 1.00 1.25 H new ATOM 0 HB2 ALA B 80 5.373 8.662 0.051 1.00 1.25 H new ATOM 0 HB3 ALA B 80 6.564 8.748 -1.269 1.00 1.25 H new ATOM 2062 N THR B 81 8.513 11.473 -1.006 1.00 1.23 N ATOM 2063 CA THR B 81 9.882 11.918 -1.235 1.00 1.46 C ATOM 2064 C THR B 81 10.177 13.174 -0.425 1.00 1.63 C ATOM 2065 O THR B 81 11.331 13.585 -0.284 1.00 1.88 O ATOM 2066 CB THR B 81 10.149 12.199 -2.726 1.00 1.59 C ATOM 2067 OG1 THR B 81 9.098 13.006 -3.268 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.257 10.906 -3.515 1.00 1.64 C ATOM 0 H THR B 81 7.825 11.869 -1.647 1.00 1.23 H new ATOM 0 HA THR B 81 10.540 11.111 -0.914 1.00 1.46 H new ATOM 0 HB THR B 81 11.097 12.732 -2.805 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.732 12.573 -4.068 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.446 11.135 -4.564 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.078 10.307 -3.121 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.325 10.347 -3.427 1.00 1.64 H new ATOM 2076 N GLY B 82 9.125 13.777 0.111 1.00 1.68 N ATOM 2077 CA GLY B 82 9.276 14.976 0.902 1.00 2.13 C ATOM 2078 C GLY B 82 9.338 14.665 2.379 1.00 1.99 C ATOM 2079 O GLY B 82 8.828 13.635 2.824 1.00 2.59 O ATOM 0 H GLY B 82 8.164 13.452 0.009 1.00 1.68 H new ATOM 0 HA2 GLY B 82 10.184 15.499 0.601 1.00 2.13 H new ATOM 0 HA3 GLY B 82 8.441 15.649 0.706 1.00 2.13 H new ATOM 2083 N LYS B 83 9.960 15.545 3.140 1.00 1.88 N ATOM 2084 CA LYS B 83 10.110 15.337 4.568 1.00 2.11 C ATOM 2085 C LYS B 83 9.991 16.663 5.304 1.00 2.84 C ATOM 2086 O LYS B 83 8.921 16.923 5.887 1.00 3.19 O ATOM 2087 CB LYS B 83 11.454 14.669 4.868 1.00 2.30 C ATOM 2088 CG LYS B 83 11.671 14.356 6.338 1.00 2.77 C ATOM 2089 CD LYS B 83 12.975 13.614 6.560 1.00 3.43 C ATOM 2090 CE LYS B 83 13.246 13.378 8.038 1.00 3.92 C ATOM 2091 NZ LYS B 83 13.352 14.650 8.803 1.00 4.40 N ATOM 2092 OXT LYS B 83 10.957 17.453 5.272 1.00 3.61 O ATOM 0 H LYS B 83 10.370 16.412 2.793 1.00 1.88 H new ATOM 0 HA LYS B 83 9.315 14.677 4.915 1.00 2.11 H new ATOM 0 HB2 LYS B 83 11.525 13.744 4.295 1.00 2.30 H new ATOM 0 HB3 LYS B 83 12.257 15.320 4.523 1.00 2.30 H new ATOM 0 HG2 LYS B 83 11.676 15.283 6.912 1.00 2.77 H new ATOM 0 HG3 LYS B 83 10.841 13.755 6.710 1.00 2.77 H new ATOM 0 HD2 LYS B 83 12.942 12.657 6.039 1.00 3.43 H new ATOM 0 HD3 LYS B 83 13.796 14.185 6.126 1.00 3.43 H new ATOM 0 HE2 LYS B 83 12.446 12.769 8.459 1.00 3.92 H new ATOM 0 HE3 LYS B 83 14.170 12.811 8.150 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 13.766 14.459 9.738 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 13.959 15.317 8.285 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 12.405 15.064 8.921 1.00 4.40 H new TER 2106 LYS B 83