USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot -128:sc= -2.08! USER MOD Set 1.2: A 43 SER OG : rot -46:sc= -1.55! USER MOD Set 2.1: A 10 SER OG : rot 13:sc= -3.49! USER MOD Set 2.2: A 14 THR OG1 : rot -70:sc= -2.19! USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= -0.232 (180deg=-0.386) USER MOD Single : A 9 SER OG : rot 83:sc= 0.227! USER MOD Single : A 12 CYS SG : rot 25:sc= -13.2! USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= -4.02! (180deg=-6.73!) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.27! USER MOD Single : A 16 CYS SG : rot 160:sc= -1.88 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -157:sc= -0.353 (180deg=-0.459) USER MOD Single : A 31 SER OG : rot 74:sc= 0.273 USER MOD Single : A 34 GLN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -97:sc= -10.7! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -0.592 (180deg=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 10.456 -5.026 12.596 1.00 0.00 N ATOM 9 CA GLU A 2 9.366 -4.137 12.962 1.00 0.00 C ATOM 10 C GLU A 2 9.013 -3.220 11.789 1.00 0.00 C ATOM 11 O GLU A 2 8.016 -2.501 11.837 1.00 0.00 O ATOM 12 CB GLU A 2 9.719 -3.322 14.208 1.00 0.00 C ATOM 13 CG GLU A 2 8.804 -3.688 15.378 1.00 0.00 C ATOM 14 CD GLU A 2 7.429 -3.036 15.224 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.312 -1.805 15.321 1.00 0.00 O ATOM 16 OE2 GLU A 2 6.460 -3.855 14.995 1.00 0.00 O ATOM 0 HA GLU A 2 8.492 -4.743 13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.758 -3.503 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.628 -2.258 13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.693 -4.771 15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.260 -3.367 16.315 1.00 0.00 H new ATOM 24 N ALA A 3 9.849 -3.276 10.763 1.00 0.00 N ATOM 25 CA ALA A 3 9.637 -2.460 9.579 1.00 0.00 C ATOM 26 C ALA A 3 8.703 -3.197 8.617 1.00 0.00 C ATOM 27 O ALA A 3 7.840 -2.582 7.991 1.00 0.00 O ATOM 28 CB ALA A 3 10.986 -2.126 8.941 1.00 0.00 C ATOM 0 H ALA A 3 10.675 -3.874 10.727 1.00 0.00 H new ATOM 0 HA ALA A 3 9.159 -1.517 9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.827 -1.514 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.600 -1.577 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.494 -3.049 8.660 1.00 0.00 H new ATOM 34 N VAL A 4 8.907 -4.503 8.529 1.00 0.00 N ATOM 35 CA VAL A 4 8.094 -5.330 7.654 1.00 0.00 C ATOM 36 C VAL A 4 6.620 -4.964 7.838 1.00 0.00 C ATOM 37 O VAL A 4 5.815 -5.136 6.923 1.00 0.00 O ATOM 38 CB VAL A 4 8.380 -6.810 7.918 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.244 -7.453 8.717 1.00 0.00 C ATOM 40 CG2 VAL A 4 8.625 -7.563 6.609 1.00 0.00 C ATOM 0 H VAL A 4 9.624 -5.009 9.049 1.00 0.00 H new ATOM 0 HA VAL A 4 8.347 -5.145 6.610 1.00 0.00 H new ATOM 0 HB VAL A 4 9.289 -6.875 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.472 -8.505 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.137 -6.941 9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.313 -7.371 8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.826 -8.612 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.742 -7.486 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.482 -7.128 6.094 1.00 0.00 H new ATOM 50 N ILE A 5 6.310 -4.465 9.026 1.00 0.00 N ATOM 51 CA ILE A 5 4.947 -4.073 9.341 1.00 0.00 C ATOM 52 C ILE A 5 4.765 -2.585 9.035 1.00 0.00 C ATOM 53 O ILE A 5 4.040 -2.222 8.111 1.00 0.00 O ATOM 54 CB ILE A 5 4.600 -4.452 10.782 1.00 0.00 C ATOM 55 CG1 ILE A 5 5.479 -5.604 11.273 1.00 0.00 C ATOM 56 CG2 ILE A 5 3.110 -4.768 10.923 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.957 -5.325 10.990 1.00 0.00 C ATOM 0 H ILE A 5 6.980 -4.323 9.782 1.00 0.00 H new ATOM 0 HA ILE A 5 4.240 -4.616 8.714 1.00 0.00 H new ATOM 0 HB ILE A 5 4.808 -3.593 11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.331 -5.749 12.343 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.179 -6.530 10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.891 -5.034 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.524 -3.893 10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.852 -5.602 10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.560 -6.159 11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.106 -5.205 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.260 -4.412 11.503 1.00 0.00 H new ATOM 69 N LYS A 6 5.437 -1.764 9.830 1.00 0.00 N ATOM 70 CA LYS A 6 5.358 -0.324 9.655 1.00 0.00 C ATOM 71 C LYS A 6 5.610 0.022 8.187 1.00 0.00 C ATOM 72 O LYS A 6 5.213 1.089 7.720 1.00 0.00 O ATOM 73 CB LYS A 6 6.305 0.385 10.626 1.00 0.00 C ATOM 74 CG LYS A 6 5.533 1.320 11.560 1.00 0.00 C ATOM 75 CD LYS A 6 6.490 2.194 12.373 1.00 0.00 C ATOM 76 CE LYS A 6 6.293 1.972 13.874 1.00 0.00 C ATOM 77 NZ LYS A 6 6.983 0.737 14.310 1.00 0.00 N ATOM 0 H LYS A 6 6.038 -2.069 10.596 1.00 0.00 H new ATOM 0 HA LYS A 6 4.359 0.036 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.849 -0.354 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.046 0.955 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.864 1.952 10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.909 0.733 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.520 1.964 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.323 3.244 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.680 2.827 14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.229 1.901 14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.292 0.082 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.436 0.285 13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.707 0.975 15.018 1.00 0.00 H new ATOM 90 N VAL A 7 6.269 -0.899 7.499 1.00 0.00 N ATOM 91 CA VAL A 7 6.579 -0.704 6.093 1.00 0.00 C ATOM 92 C VAL A 7 5.279 -0.671 5.289 1.00 0.00 C ATOM 93 O VAL A 7 4.883 0.379 4.784 1.00 0.00 O ATOM 94 CB VAL A 7 7.550 -1.787 5.616 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.944 -3.181 5.792 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.966 -1.549 4.164 1.00 0.00 C ATOM 0 H VAL A 7 6.597 -1.782 7.889 1.00 0.00 H new ATOM 0 HA VAL A 7 7.080 0.252 5.941 1.00 0.00 H new ATOM 0 HB VAL A 7 8.446 -1.730 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.654 -3.933 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.721 -3.350 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.025 -3.254 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.656 -2.332 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.083 -1.566 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.456 -0.579 4.080 1.00 0.00 H new ATOM 106 N ILE A 8 4.649 -1.833 5.194 1.00 0.00 N ATOM 107 CA ILE A 8 3.401 -1.950 4.459 1.00 0.00 C ATOM 108 C ILE A 8 2.484 -0.782 4.830 1.00 0.00 C ATOM 109 O ILE A 8 1.888 -0.154 3.956 1.00 0.00 O ATOM 110 CB ILE A 8 2.770 -3.324 4.690 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.429 -4.002 3.361 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.551 -3.220 5.609 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.639 -3.059 2.451 1.00 0.00 C ATOM 0 H ILE A 8 4.980 -2.702 5.614 1.00 0.00 H new ATOM 0 HA ILE A 8 3.583 -1.885 3.386 1.00 0.00 H new ATOM 0 HB ILE A 8 3.502 -3.955 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.347 -4.312 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.847 -4.905 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.121 -4.211 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.855 -2.809 6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.807 -2.566 5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.410 -3.565 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.711 -2.770 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.233 -2.168 2.246 1.00 0.00 H new ATOM 125 N SER A 9 2.401 -0.526 6.127 1.00 0.00 N ATOM 126 CA SER A 9 1.567 0.555 6.624 1.00 0.00 C ATOM 127 C SER A 9 2.141 1.903 6.184 1.00 0.00 C ATOM 128 O SER A 9 1.509 2.631 5.419 1.00 0.00 O ATOM 129 CB SER A 9 1.447 0.502 8.149 1.00 0.00 C ATOM 130 OG SER A 9 2.169 1.557 8.778 1.00 0.00 O ATOM 0 H SER A 9 2.897 -1.048 6.849 1.00 0.00 H new ATOM 0 HA SER A 9 0.568 0.437 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.396 0.563 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.819 -0.457 8.509 1.00 0.00 H new ATOM 0 HG SER A 9 1.622 2.370 8.782 1.00 0.00 H new ATOM 136 N SER A 10 3.331 2.196 6.686 1.00 0.00 N ATOM 137 CA SER A 10 3.997 3.444 6.354 1.00 0.00 C ATOM 138 C SER A 10 4.278 3.504 4.851 1.00 0.00 C ATOM 139 O SER A 10 3.916 4.473 4.187 1.00 0.00 O ATOM 140 CB SER A 10 5.298 3.602 7.144 1.00 0.00 C ATOM 141 OG SER A 10 5.407 4.890 7.742 1.00 0.00 O ATOM 0 H SER A 10 3.852 1.590 7.321 1.00 0.00 H new ATOM 0 HA SER A 10 3.336 4.267 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.346 2.837 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.147 3.437 6.481 1.00 0.00 H new ATOM 0 HG SER A 10 4.540 5.345 7.700 1.00 0.00 H new ATOM 147 N ALA A 11 4.921 2.455 4.360 1.00 0.00 N ATOM 148 CA ALA A 11 5.255 2.376 2.948 1.00 0.00 C ATOM 149 C ALA A 11 3.987 2.582 2.116 1.00 0.00 C ATOM 150 O ALA A 11 4.062 2.946 0.944 1.00 0.00 O ATOM 151 CB ALA A 11 5.931 1.034 2.657 1.00 0.00 C ATOM 0 H ALA A 11 5.220 1.653 4.915 1.00 0.00 H new ATOM 0 HA ALA A 11 5.960 3.162 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.181 0.975 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.841 0.949 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.252 0.221 2.915 1.00 0.00 H new ATOM 157 N CYS A 12 2.852 2.340 2.756 1.00 0.00 N ATOM 158 CA CYS A 12 1.570 2.495 2.090 1.00 0.00 C ATOM 159 C CYS A 12 1.278 3.990 1.952 1.00 0.00 C ATOM 160 O CYS A 12 1.118 4.495 0.842 1.00 0.00 O ATOM 161 CB CYS A 12 0.453 1.762 2.836 1.00 0.00 C ATOM 162 SG CYS A 12 0.087 0.171 2.008 1.00 0.00 S ATOM 0 H CYS A 12 2.794 2.038 3.728 1.00 0.00 H new ATOM 0 HA CYS A 12 1.615 2.042 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.751 1.584 3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.444 2.381 2.865 1.00 0.00 H new ATOM 0 HG CYS A 12 1.137 -0.230 1.355 1.00 0.00 H new ATOM 168 N LYS A 13 1.216 4.657 3.095 1.00 0.00 N ATOM 169 CA LYS A 13 0.946 6.084 3.116 1.00 0.00 C ATOM 170 C LYS A 13 2.264 6.846 3.265 1.00 0.00 C ATOM 171 O LYS A 13 2.499 7.830 2.565 1.00 0.00 O ATOM 172 CB LYS A 13 -0.084 6.419 4.197 1.00 0.00 C ATOM 173 CG LYS A 13 -1.442 6.752 3.576 1.00 0.00 C ATOM 174 CD LYS A 13 -1.376 8.058 2.780 1.00 0.00 C ATOM 175 CE LYS A 13 -2.108 7.923 1.443 1.00 0.00 C ATOM 176 NZ LYS A 13 -3.002 9.082 1.223 1.00 0.00 N ATOM 0 H LYS A 13 1.348 4.235 4.014 1.00 0.00 H new ATOM 0 HA LYS A 13 0.499 6.401 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.189 5.575 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.266 7.265 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.756 5.939 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.194 6.838 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.820 8.866 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.335 8.328 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.384 7.855 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.689 7.001 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.941 8.745 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.090 9.625 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.604 9.691 0.480 1.00 0.00 H new ATOM 189 N THR A 14 3.090 6.363 4.182 1.00 0.00 N ATOM 190 CA THR A 14 4.378 6.987 4.432 1.00 0.00 C ATOM 191 C THR A 14 5.260 6.908 3.184 1.00 0.00 C ATOM 192 O THR A 14 6.092 7.783 2.952 1.00 0.00 O ATOM 193 CB THR A 14 4.999 6.314 5.658 1.00 0.00 C ATOM 194 OG1 THR A 14 3.923 6.227 6.589 1.00 0.00 O ATOM 195 CG2 THR A 14 6.026 7.205 6.358 1.00 0.00 C ATOM 0 H THR A 14 2.892 5.547 4.761 1.00 0.00 H new ATOM 0 HA THR A 14 4.268 8.050 4.647 1.00 0.00 H new ATOM 0 HB THR A 14 5.474 5.380 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.698 7.124 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.436 6.680 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.831 7.446 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.544 8.125 6.689 1.00 0.00 H new ATOM 203 N TYR A 15 5.046 5.852 2.414 1.00 0.00 N ATOM 204 CA TYR A 15 5.811 5.648 1.195 1.00 0.00 C ATOM 205 C TYR A 15 5.703 6.862 0.270 1.00 0.00 C ATOM 206 O TYR A 15 6.675 7.592 0.082 1.00 0.00 O ATOM 207 CB TYR A 15 5.185 4.436 0.502 1.00 0.00 C ATOM 208 CG TYR A 15 6.131 3.710 -0.456 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.150 4.402 -1.077 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.964 2.361 -0.700 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.041 3.719 -1.979 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.855 1.678 -1.602 1.00 0.00 C ATOM 213 CZ TYR A 15 7.849 2.390 -2.197 1.00 0.00 C ATOM 214 OH TYR A 15 8.690 1.744 -3.049 1.00 0.00 O ATOM 0 H TYR A 15 4.354 5.128 2.610 1.00 0.00 H new ATOM 0 HA TYR A 15 6.866 5.499 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.843 3.733 1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.304 4.761 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.280 5.457 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.166 1.819 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.843 4.249 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.736 0.623 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 15 9.358 1.245 -2.534 1.00 0.00 H new ATOM 224 N CYS A 16 4.513 7.040 -0.283 1.00 0.00 N ATOM 225 CA CYS A 16 4.265 8.153 -1.183 1.00 0.00 C ATOM 226 C CYS A 16 3.596 9.276 -0.387 1.00 0.00 C ATOM 227 O CYS A 16 4.012 10.430 -0.466 1.00 0.00 O ATOM 228 CB CYS A 16 3.424 7.729 -2.389 1.00 0.00 C ATOM 229 SG CYS A 16 2.268 9.071 -2.849 1.00 0.00 S ATOM 0 H CYS A 16 3.709 6.432 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 16 5.210 8.512 -1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.074 7.493 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.867 6.822 -2.153 1.00 0.00 H new ATOM 0 HG CYS A 16 1.876 8.904 -4.077 1.00 0.00 H new ATOM 235 N GLY A 17 2.570 8.897 0.360 1.00 0.00 N ATOM 236 CA GLY A 17 1.839 9.857 1.170 1.00 0.00 C ATOM 237 C GLY A 17 2.758 10.519 2.199 1.00 0.00 C ATOM 238 O GLY A 17 2.448 11.592 2.715 1.00 0.00 O ATOM 0 H GLY A 17 2.227 7.938 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.398 10.619 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.017 9.356 1.681 1.00 0.00 H new ATOM 242 N LYS A 18 3.871 9.851 2.467 1.00 0.00 N ATOM 243 CA LYS A 18 4.837 10.361 3.425 1.00 0.00 C ATOM 244 C LYS A 18 4.115 11.229 4.458 1.00 0.00 C ATOM 245 O LYS A 18 3.709 10.739 5.511 1.00 0.00 O ATOM 246 CB LYS A 18 5.977 11.083 2.705 1.00 0.00 C ATOM 247 CG LYS A 18 6.991 11.642 3.705 1.00 0.00 C ATOM 248 CD LYS A 18 8.361 10.988 3.520 1.00 0.00 C ATOM 249 CE LYS A 18 9.362 11.511 4.553 1.00 0.00 C ATOM 250 NZ LYS A 18 9.915 10.393 5.350 1.00 0.00 N ATOM 0 H LYS A 18 4.125 8.961 2.037 1.00 0.00 H new ATOM 0 HA LYS A 18 5.304 9.539 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.475 10.394 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.573 11.894 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.078 12.721 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.637 11.471 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.267 9.906 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.731 11.189 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.170 12.041 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.873 12.228 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.592 10.765 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.142 9.904 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.400 9.723 4.719 1.00 0.00 H new ATOM 334 N LYS A 24 -5.727 6.748 5.902 1.00 0.00 N ATOM 335 CA LYS A 24 -5.662 5.834 4.774 1.00 0.00 C ATOM 336 C LYS A 24 -4.480 4.881 4.964 1.00 0.00 C ATOM 337 O LYS A 24 -4.527 3.733 4.524 1.00 0.00 O ATOM 338 CB LYS A 24 -5.619 6.612 3.457 1.00 0.00 C ATOM 339 CG LYS A 24 -6.645 7.746 3.456 1.00 0.00 C ATOM 340 CD LYS A 24 -7.894 7.355 2.662 1.00 0.00 C ATOM 341 CE LYS A 24 -9.156 7.929 3.309 1.00 0.00 C ATOM 342 NZ LYS A 24 -9.940 6.856 3.960 1.00 0.00 N ATOM 0 HA LYS A 24 -6.562 5.221 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.620 7.021 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.818 5.937 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.923 7.990 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.201 8.643 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.808 7.720 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.970 6.269 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.883 8.685 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.765 8.425 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.793 7.264 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.217 6.149 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.362 6.401 4.695 1.00 0.00 H new ATOM 355 N GLU A 25 -3.449 5.391 5.620 1.00 0.00 N ATOM 356 CA GLU A 25 -2.257 4.599 5.874 1.00 0.00 C ATOM 357 C GLU A 25 -2.643 3.188 6.324 1.00 0.00 C ATOM 358 O GLU A 25 -2.562 2.240 5.544 1.00 0.00 O ATOM 359 CB GLU A 25 -1.358 5.278 6.909 1.00 0.00 C ATOM 360 CG GLU A 25 -0.134 4.414 7.222 1.00 0.00 C ATOM 361 CD GLU A 25 0.516 4.842 8.540 1.00 0.00 C ATOM 362 OE1 GLU A 25 0.308 5.977 8.994 1.00 0.00 O ATOM 363 OE2 GLU A 25 1.259 3.946 9.097 1.00 0.00 O ATOM 0 H GLU A 25 -3.414 6.343 5.984 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.691 4.521 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.036 6.250 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.923 5.460 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.429 3.366 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.590 4.496 6.412 1.00 0.00 H new ATOM 371 N ILE A 26 -3.055 3.094 7.580 1.00 0.00 N ATOM 372 CA ILE A 26 -3.454 1.816 8.142 1.00 0.00 C ATOM 373 C ILE A 26 -4.501 1.168 7.234 1.00 0.00 C ATOM 374 O ILE A 26 -4.552 -0.055 7.113 1.00 0.00 O ATOM 375 CB ILE A 26 -3.918 1.989 9.590 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.860 2.718 10.421 1.00 0.00 C ATOM 377 CG2 ILE A 26 -4.304 0.643 10.207 1.00 0.00 C ATOM 378 CD1 ILE A 26 -3.504 3.770 11.326 1.00 0.00 C ATOM 0 H ILE A 26 -3.121 3.882 8.224 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.603 1.136 8.183 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.813 2.611 9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.310 1.999 11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.138 3.195 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.630 0.795 11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.115 0.198 9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.442 -0.024 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.731 4.274 11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.033 4.501 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.208 3.286 12.003 1.00 0.00 H new ATOM 390 N GLY A 27 -5.311 2.017 6.619 1.00 0.00 N ATOM 391 CA GLY A 27 -6.354 1.543 5.726 1.00 0.00 C ATOM 392 C GLY A 27 -5.758 0.767 4.550 1.00 0.00 C ATOM 393 O GLY A 27 -5.799 -0.463 4.529 1.00 0.00 O ATOM 0 H GLY A 27 -5.266 3.031 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.045 0.904 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.931 2.389 5.353 1.00 0.00 H new ATOM 397 N ALA A 28 -5.218 1.516 3.600 1.00 0.00 N ATOM 398 CA ALA A 28 -4.614 0.914 2.424 1.00 0.00 C ATOM 399 C ALA A 28 -3.676 -0.214 2.859 1.00 0.00 C ATOM 400 O ALA A 28 -3.630 -1.267 2.225 1.00 0.00 O ATOM 401 CB ALA A 28 -3.893 1.991 1.612 1.00 0.00 C ATOM 0 H ALA A 28 -5.186 2.535 3.621 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.378 0.478 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.440 1.539 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.608 2.753 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.116 2.449 2.224 1.00 0.00 H new ATOM 407 N MET A 29 -2.951 0.044 3.937 1.00 0.00 N ATOM 408 CA MET A 29 -2.017 -0.936 4.464 1.00 0.00 C ATOM 409 C MET A 29 -2.626 -2.339 4.445 1.00 0.00 C ATOM 410 O MET A 29 -2.040 -3.267 3.889 1.00 0.00 O ATOM 411 CB MET A 29 -1.640 -0.562 5.899 1.00 0.00 C ATOM 412 CG MET A 29 -0.834 -1.681 6.563 1.00 0.00 C ATOM 413 SD MET A 29 -1.366 -1.895 8.254 1.00 0.00 S ATOM 414 CE MET A 29 -0.018 -2.886 8.879 1.00 0.00 C ATOM 0 H MET A 29 -2.992 0.919 4.460 1.00 0.00 H new ATOM 0 HA MET A 29 -1.127 -0.938 3.834 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.057 0.359 5.898 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.543 -0.367 6.477 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.965 -2.612 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.229 -1.441 6.535 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.352 -3.445 9.753 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.310 -3.582 8.107 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.812 -2.237 9.159 1.00 0.00 H new ATOM 424 N LEU A 30 -3.795 -2.451 5.059 1.00 0.00 N ATOM 425 CA LEU A 30 -4.490 -3.726 5.120 1.00 0.00 C ATOM 426 C LEU A 30 -5.569 -3.765 4.036 1.00 0.00 C ATOM 427 O LEU A 30 -5.635 -4.713 3.255 1.00 0.00 O ATOM 428 CB LEU A 30 -5.026 -3.977 6.530 1.00 0.00 C ATOM 429 CG LEU A 30 -4.220 -4.954 7.390 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.328 -4.596 8.873 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.639 -6.399 7.117 1.00 0.00 C ATOM 0 H LEU A 30 -4.279 -1.679 5.519 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.801 -4.546 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.079 -3.022 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.046 -4.352 6.448 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.169 -4.866 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.747 -5.305 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.942 -3.589 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.372 -4.638 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.051 -7.072 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.697 -6.521 7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.468 -6.635 6.067 1.00 0.00 H new ATOM 443 N SER A 31 -6.388 -2.724 4.023 1.00 0.00 N ATOM 444 CA SER A 31 -7.461 -2.627 3.048 1.00 0.00 C ATOM 445 C SER A 31 -6.893 -2.740 1.632 1.00 0.00 C ATOM 446 O SER A 31 -7.539 -3.291 0.742 1.00 0.00 O ATOM 447 CB SER A 31 -8.234 -1.317 3.207 1.00 0.00 C ATOM 448 OG SER A 31 -8.485 -1.008 4.575 1.00 0.00 O ATOM 0 H SER A 31 -6.330 -1.940 4.673 1.00 0.00 H new ATOM 0 HA SER A 31 -8.155 -3.449 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.669 -0.505 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.181 -1.387 2.672 1.00 0.00 H new ATOM 0 HG SER A 31 -7.655 -0.708 5.000 1.00 0.00 H new ATOM 454 N LEU A 32 -5.690 -2.209 1.467 1.00 0.00 N ATOM 455 CA LEU A 32 -5.027 -2.243 0.175 1.00 0.00 C ATOM 456 C LEU A 32 -4.552 -3.669 -0.113 1.00 0.00 C ATOM 457 O LEU A 32 -5.047 -4.319 -1.032 1.00 0.00 O ATOM 458 CB LEU A 32 -3.910 -1.199 0.117 1.00 0.00 C ATOM 459 CG LEU A 32 -3.748 -0.463 -1.214 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.402 -1.244 -2.356 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.282 0.967 -1.119 1.00 0.00 C ATOM 0 H LEU A 32 -5.157 -1.753 2.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.725 -1.973 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.089 -0.460 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.967 -1.691 0.354 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.684 -0.395 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.272 -0.699 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.935 -2.225 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.466 -1.365 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.154 1.468 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.340 0.944 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.732 1.510 -0.351 1.00 0.00 H new ATOM 473 N LEU A 33 -3.597 -4.113 0.691 1.00 0.00 N ATOM 474 CA LEU A 33 -3.049 -5.450 0.535 1.00 0.00 C ATOM 475 C LEU A 33 -4.081 -6.477 1.004 1.00 0.00 C ATOM 476 O LEU A 33 -4.348 -7.456 0.309 1.00 0.00 O ATOM 477 CB LEU A 33 -1.700 -5.563 1.248 1.00 0.00 C ATOM 478 CG LEU A 33 -0.599 -4.623 0.754 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.326 -5.334 -0.236 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.195 -3.343 0.164 1.00 0.00 C ATOM 0 H LEU A 33 -3.189 -3.571 1.452 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.846 -5.659 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.857 -5.379 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.345 -6.589 1.151 1.00 0.00 H new ATOM 0 HG LEU A 33 0.010 -4.330 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.100 -4.643 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.791 -6.191 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.253 -5.675 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.391 -2.692 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.841 -3.596 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.778 -2.828 0.927 1.00 0.00 H new ATOM 492 N GLN A 34 -4.633 -6.220 2.181 1.00 0.00 N ATOM 493 CA GLN A 34 -5.630 -7.110 2.751 1.00 0.00 C ATOM 494 C GLN A 34 -6.916 -7.065 1.924 1.00 0.00 C ATOM 495 O GLN A 34 -7.878 -7.771 2.226 1.00 0.00 O ATOM 496 CB GLN A 34 -5.906 -6.759 4.214 1.00 0.00 C ATOM 497 CG GLN A 34 -6.147 -8.021 5.045 1.00 0.00 C ATOM 498 CD GLN A 34 -7.376 -7.860 5.942 1.00 0.00 C ATOM 499 OE1 GLN A 34 -8.272 -7.076 5.676 1.00 0.00 O ATOM 500 NE2 GLN A 34 -7.367 -8.643 7.017 1.00 0.00 N ATOM 0 H GLN A 34 -4.408 -5.408 2.756 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.239 -8.127 2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.062 -6.205 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.777 -6.106 4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.285 -8.876 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.270 -8.230 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.585 -9.277 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.142 -8.609 7.679 1.00 0.00 H new ATOM 509 N LYS A 35 -6.893 -6.229 0.896 1.00 0.00 N ATOM 510 CA LYS A 35 -8.045 -6.084 0.023 1.00 0.00 C ATOM 511 C LYS A 35 -7.581 -6.094 -1.434 1.00 0.00 C ATOM 512 O LYS A 35 -8.253 -5.549 -2.308 1.00 0.00 O ATOM 513 CB LYS A 35 -8.851 -4.840 0.403 1.00 0.00 C ATOM 514 CG LYS A 35 -10.338 -5.171 0.544 1.00 0.00 C ATOM 515 CD LYS A 35 -10.880 -4.698 1.894 1.00 0.00 C ATOM 516 CE LYS A 35 -12.339 -5.121 2.078 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.171 -3.959 2.462 1.00 0.00 N ATOM 0 H LYS A 35 -6.094 -5.645 0.648 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.725 -6.927 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.475 -4.432 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.717 -4.070 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.898 -4.697 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.486 -6.246 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.273 -5.113 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.801 -3.613 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.717 -5.557 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.406 -5.893 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.158 -4.264 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.820 -3.561 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.121 -3.235 1.717 1.00 0.00 H new ATOM 530 N GLU A 36 -6.434 -6.721 -1.652 1.00 0.00 N ATOM 531 CA GLU A 36 -5.871 -6.810 -2.989 1.00 0.00 C ATOM 532 C GLU A 36 -5.438 -8.247 -3.288 1.00 0.00 C ATOM 533 O GLU A 36 -4.849 -8.516 -4.334 1.00 0.00 O ATOM 534 CB GLU A 36 -4.702 -5.838 -3.157 1.00 0.00 C ATOM 535 CG GLU A 36 -5.185 -4.487 -3.690 1.00 0.00 C ATOM 536 CD GLU A 36 -6.498 -4.639 -4.460 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.537 -5.331 -5.488 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.503 -4.008 -3.954 1.00 0.00 O ATOM 0 H GLU A 36 -5.879 -7.172 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.641 -6.527 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.201 -5.697 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.967 -6.262 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.324 -3.793 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.425 -4.056 -4.342 1.00 0.00 H new ATOM 546 N GLY A 37 -5.745 -9.131 -2.350 1.00 0.00 N ATOM 547 CA GLY A 37 -5.395 -10.533 -2.500 1.00 0.00 C ATOM 548 C GLY A 37 -3.925 -10.771 -2.148 1.00 0.00 C ATOM 549 O GLY A 37 -3.250 -11.571 -2.793 1.00 0.00 O ATOM 0 H GLY A 37 -6.232 -8.903 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.030 -11.141 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.583 -10.851 -3.525 1.00 0.00 H new ATOM 553 N LEU A 38 -3.473 -10.063 -1.124 1.00 0.00 N ATOM 554 CA LEU A 38 -2.096 -10.187 -0.677 1.00 0.00 C ATOM 555 C LEU A 38 -2.052 -10.128 0.851 1.00 0.00 C ATOM 556 O LEU A 38 -1.212 -9.438 1.425 1.00 0.00 O ATOM 557 CB LEU A 38 -1.215 -9.138 -1.358 1.00 0.00 C ATOM 558 CG LEU A 38 -1.843 -8.401 -2.543 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.246 -7.001 -2.698 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.720 -9.223 -3.828 1.00 0.00 C ATOM 0 H LEU A 38 -4.036 -9.401 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.687 -11.154 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.920 -8.400 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.303 -9.626 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.907 -8.276 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.710 -6.500 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.430 -6.425 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.172 -7.080 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.174 -8.676 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.667 -9.402 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.231 -10.177 -3.700 1.00 0.00 H new ATOM 572 N LEU A 39 -2.968 -10.861 1.466 1.00 0.00 N ATOM 573 CA LEU A 39 -3.045 -10.901 2.916 1.00 0.00 C ATOM 574 C LEU A 39 -2.357 -12.170 3.425 1.00 0.00 C ATOM 575 O LEU A 39 -2.940 -13.252 3.390 1.00 0.00 O ATOM 576 CB LEU A 39 -4.496 -10.760 3.380 1.00 0.00 C ATOM 577 CG LEU A 39 -5.568 -11.043 2.325 1.00 0.00 C ATOM 578 CD1 LEU A 39 -5.483 -12.488 1.831 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.962 -10.698 2.854 1.00 0.00 C ATOM 0 H LEU A 39 -3.664 -11.432 0.986 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.513 -10.054 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.655 -11.435 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.640 -9.746 3.753 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.381 -10.398 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.256 -12.663 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.503 -12.664 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.630 -13.168 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.705 -10.908 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.175 -11.299 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.000 -9.641 3.116 1.00 0.00 H new ATOM 591 N MET A 40 -1.127 -11.994 3.884 1.00 0.00 N ATOM 592 CA MET A 40 -0.354 -13.112 4.399 1.00 0.00 C ATOM 593 C MET A 40 0.490 -12.686 5.602 1.00 0.00 C ATOM 594 O MET A 40 0.771 -13.495 6.485 1.00 0.00 O ATOM 595 CB MET A 40 0.561 -13.650 3.298 1.00 0.00 C ATOM 596 CG MET A 40 0.740 -15.164 3.425 1.00 0.00 C ATOM 597 SD MET A 40 -0.730 -16.003 2.857 1.00 0.00 S ATOM 598 CE MET A 40 -0.354 -16.145 1.118 1.00 0.00 C ATOM 0 H MET A 40 -0.646 -11.095 3.910 1.00 0.00 H new ATOM 0 HA MET A 40 -1.046 -13.890 4.721 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.140 -13.411 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.533 -13.159 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.602 -15.487 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.942 -15.429 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.175 -16.650 0.608 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.219 -15.151 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.562 -16.721 0.990 1.00 0.00 H new ATOM 608 N SER A 41 0.871 -11.417 5.598 1.00 0.00 N ATOM 609 CA SER A 41 1.677 -10.875 6.678 1.00 0.00 C ATOM 610 C SER A 41 2.491 -9.681 6.175 1.00 0.00 C ATOM 611 O SER A 41 2.654 -9.501 4.969 1.00 0.00 O ATOM 612 CB SER A 41 2.606 -11.942 7.262 1.00 0.00 C ATOM 613 OG SER A 41 3.902 -11.423 7.548 1.00 0.00 O ATOM 0 H SER A 41 0.636 -10.749 4.864 1.00 0.00 H new ATOM 0 HA SER A 41 1.007 -10.542 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.167 -12.344 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.694 -12.770 6.559 1.00 0.00 H new ATOM 0 HG SER A 41 4.582 -11.995 7.135 1.00 0.00 H new ATOM 619 N PRO A 42 2.994 -8.876 7.149 1.00 0.00 N ATOM 620 CA PRO A 42 3.787 -7.705 6.817 1.00 0.00 C ATOM 621 C PRO A 42 5.196 -8.105 6.372 1.00 0.00 C ATOM 622 O PRO A 42 6.116 -7.289 6.404 1.00 0.00 O ATOM 623 CB PRO A 42 3.781 -6.855 8.077 1.00 0.00 C ATOM 624 CG PRO A 42 3.381 -7.789 9.208 1.00 0.00 C ATOM 625 CD PRO A 42 2.821 -9.059 8.587 1.00 0.00 C ATOM 0 HA PRO A 42 3.380 -7.147 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.764 -6.420 8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.077 -6.027 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.242 -8.019 9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.636 -7.316 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.354 -9.941 8.941 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.771 -9.196 8.845 1.00 0.00 H new ATOM 633 N SER A 43 5.320 -9.360 5.968 1.00 0.00 N ATOM 634 CA SER A 43 6.601 -9.878 5.517 1.00 0.00 C ATOM 635 C SER A 43 6.954 -9.284 4.152 1.00 0.00 C ATOM 636 O SER A 43 8.117 -9.292 3.750 1.00 0.00 O ATOM 637 CB SER A 43 6.582 -11.406 5.443 1.00 0.00 C ATOM 638 OG SER A 43 6.823 -12.006 6.713 1.00 0.00 O ATOM 0 H SER A 43 4.555 -10.034 5.943 1.00 0.00 H new ATOM 0 HA SER A 43 7.362 -9.586 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.616 -11.738 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.337 -11.744 4.733 1.00 0.00 H new ATOM 0 HG SER A 43 7.579 -11.559 7.148 1.00 0.00 H new ATOM 644 N ASP A 44 5.930 -8.784 3.477 1.00 0.00 N ATOM 645 CA ASP A 44 6.118 -8.187 2.166 1.00 0.00 C ATOM 646 C ASP A 44 7.423 -7.389 2.156 1.00 0.00 C ATOM 647 O ASP A 44 8.074 -7.270 1.119 1.00 0.00 O ATOM 648 CB ASP A 44 4.975 -7.229 1.827 1.00 0.00 C ATOM 649 CG ASP A 44 4.840 -6.881 0.344 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.957 -7.399 -0.356 1.00 0.00 O ATOM 651 OD2 ASP A 44 5.701 -6.027 -0.097 1.00 0.00 O ATOM 0 H ASP A 44 4.967 -8.780 3.813 1.00 0.00 H new ATOM 0 HA ASP A 44 6.144 -8.991 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.038 -7.670 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.116 -6.306 2.390 1.00 0.00 H new ATOM 657 N LEU A 45 7.767 -6.863 3.322 1.00 0.00 N ATOM 658 CA LEU A 45 8.982 -6.079 3.460 1.00 0.00 C ATOM 659 C LEU A 45 10.188 -7.020 3.506 1.00 0.00 C ATOM 660 O LEU A 45 11.260 -6.685 3.004 1.00 0.00 O ATOM 661 CB LEU A 45 8.884 -5.147 4.670 1.00 0.00 C ATOM 662 CG LEU A 45 10.213 -4.653 5.245 1.00 0.00 C ATOM 663 CD1 LEU A 45 10.054 -3.272 5.885 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.800 -5.673 6.223 1.00 0.00 C ATOM 0 H LEU A 45 7.225 -6.964 4.180 1.00 0.00 H new ATOM 0 HA LEU A 45 9.116 -5.429 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.288 -4.279 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.339 -5.665 5.459 1.00 0.00 H new ATOM 0 HG LEU A 45 10.922 -4.548 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.013 -2.944 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.712 -2.560 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.323 -3.327 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.744 -5.297 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.102 -5.833 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.973 -6.616 5.705 1.00 0.00 H new ATOM 676 N TYR A 46 9.972 -8.178 4.111 1.00 0.00 N ATOM 677 CA TYR A 46 11.028 -9.170 4.228 1.00 0.00 C ATOM 678 C TYR A 46 11.609 -9.517 2.856 1.00 0.00 C ATOM 679 O TYR A 46 12.670 -10.132 2.765 1.00 0.00 O ATOM 680 CB TYR A 46 10.370 -10.418 4.821 1.00 0.00 C ATOM 681 CG TYR A 46 10.022 -10.292 6.305 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.562 -9.268 7.057 1.00 0.00 C ATOM 683 CD2 TYR A 46 9.167 -11.203 6.893 1.00 0.00 C ATOM 684 CE1 TYR A 46 10.234 -9.150 8.454 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.839 -11.085 8.290 1.00 0.00 C ATOM 686 CZ TYR A 46 9.389 -10.064 9.002 1.00 0.00 C ATOM 687 OH TYR A 46 9.079 -9.952 10.321 1.00 0.00 O ATOM 0 H TYR A 46 9.081 -8.452 4.526 1.00 0.00 H new ATOM 0 HA TYR A 46 11.842 -8.793 4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.460 -10.637 4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.039 -11.268 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.231 -8.555 6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.744 -12.004 6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.650 -8.353 9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.172 -11.791 8.762 1.00 0.00 H new ATOM 0 HH TYR A 46 8.465 -10.672 10.575 1.00 0.00 H new ATOM 697 N SER A 47 10.888 -9.106 1.823 1.00 0.00 N ATOM 698 CA SER A 47 11.318 -9.366 0.460 1.00 0.00 C ATOM 699 C SER A 47 11.036 -8.147 -0.420 1.00 0.00 C ATOM 700 O SER A 47 9.895 -7.697 -0.515 1.00 0.00 O ATOM 701 CB SER A 47 10.624 -10.604 -0.111 1.00 0.00 C ATOM 702 OG SER A 47 11.207 -11.024 -1.342 1.00 0.00 O ATOM 0 H SER A 47 10.009 -8.595 1.903 1.00 0.00 H new ATOM 0 HA SER A 47 12.391 -9.557 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.680 -11.417 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.567 -10.388 -0.266 1.00 0.00 H new ATOM 0 HG SER A 47 10.737 -11.818 -1.673 1.00 0.00 H new ATOM 708 N PRO A 48 12.122 -7.633 -1.057 1.00 0.00 N ATOM 709 CA PRO A 48 12.002 -6.474 -1.925 1.00 0.00 C ATOM 710 C PRO A 48 11.356 -6.854 -3.259 1.00 0.00 C ATOM 711 O PRO A 48 11.748 -7.836 -3.886 1.00 0.00 O ATOM 712 CB PRO A 48 13.420 -5.950 -2.080 1.00 0.00 C ATOM 713 CG PRO A 48 14.334 -7.096 -1.678 1.00 0.00 C ATOM 714 CD PRO A 48 13.488 -8.140 -0.968 1.00 0.00 C ATOM 0 HA PRO A 48 11.350 -5.704 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.612 -5.640 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.586 -5.078 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.815 -7.527 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.129 -6.739 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.580 -9.116 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.798 -8.262 0.070 1.00 0.00 H new ATOM 722 N GLY A 49 10.375 -6.054 -3.654 1.00 0.00 N ATOM 723 CA GLY A 49 9.671 -6.294 -4.902 1.00 0.00 C ATOM 724 C GLY A 49 8.467 -7.213 -4.685 1.00 0.00 C ATOM 725 O GLY A 49 8.327 -8.229 -5.363 1.00 0.00 O ATOM 0 H GLY A 49 10.052 -5.240 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.338 -5.346 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.350 -6.744 -5.626 1.00 0.00 H new ATOM 729 N SER A 50 7.628 -6.822 -3.736 1.00 0.00 N ATOM 730 CA SER A 50 6.441 -7.597 -3.421 1.00 0.00 C ATOM 731 C SER A 50 5.203 -6.698 -3.461 1.00 0.00 C ATOM 732 O SER A 50 4.130 -7.093 -3.007 1.00 0.00 O ATOM 733 CB SER A 50 6.567 -8.266 -2.051 1.00 0.00 C ATOM 734 OG SER A 50 6.678 -9.682 -2.156 1.00 0.00 O ATOM 0 H SER A 50 7.748 -5.978 -3.175 1.00 0.00 H new ATOM 0 HA SER A 50 6.337 -8.382 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.442 -7.871 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.697 -8.015 -1.444 1.00 0.00 H new ATOM 0 HG SER A 50 6.758 -10.071 -1.260 1.00 0.00 H new ATOM 740 N TRP A 51 5.393 -5.507 -4.008 1.00 0.00 N ATOM 741 CA TRP A 51 4.306 -4.549 -4.113 1.00 0.00 C ATOM 742 C TRP A 51 3.703 -4.670 -5.514 1.00 0.00 C ATOM 743 O TRP A 51 2.750 -3.967 -5.847 1.00 0.00 O ATOM 744 CB TRP A 51 4.789 -3.134 -3.790 1.00 0.00 C ATOM 745 CG TRP A 51 4.850 -2.824 -2.293 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.593 -3.427 -1.355 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.105 -1.803 -1.596 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.382 -2.873 -0.109 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.449 -1.854 -0.260 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.172 -0.868 -2.077 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.907 -0.995 0.704 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.639 -0.017 -1.101 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.975 -0.056 0.247 1.00 0.00 C ATOM 0 H TRP A 51 6.284 -5.183 -4.384 1.00 0.00 H new ATOM 0 HA TRP A 51 3.529 -4.765 -3.380 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.780 -2.992 -4.221 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.126 -2.416 -4.273 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.272 -4.244 -1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.829 -3.159 0.762 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.889 -0.811 -3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.193 -1.054 1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.917 0.721 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.519 0.636 0.939 1.00 0.00 H new ATOM 764 N ASP A 52 4.283 -5.567 -6.298 1.00 0.00 N ATOM 765 CA ASP A 52 3.815 -5.789 -7.656 1.00 0.00 C ATOM 766 C ASP A 52 2.507 -6.581 -7.617 1.00 0.00 C ATOM 767 O ASP A 52 1.741 -6.569 -8.578 1.00 0.00 O ATOM 768 CB ASP A 52 4.833 -6.596 -8.464 1.00 0.00 C ATOM 769 CG ASP A 52 5.145 -6.036 -9.854 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.256 -6.787 -10.835 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.279 -4.754 -9.908 1.00 0.00 O ATOM 0 H ASP A 52 5.073 -6.149 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 52 3.671 -4.816 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.761 -6.655 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.462 -7.615 -8.574 1.00 0.00 H new ATOM 777 N PRO A 53 2.286 -7.269 -6.464 1.00 0.00 N ATOM 778 CA PRO A 53 1.084 -8.066 -6.287 1.00 0.00 C ATOM 779 C PRO A 53 -0.131 -7.173 -6.028 1.00 0.00 C ATOM 780 O PRO A 53 -1.235 -7.475 -6.479 1.00 0.00 O ATOM 781 CB PRO A 53 1.396 -8.996 -5.126 1.00 0.00 C ATOM 782 CG PRO A 53 2.578 -8.374 -4.400 1.00 0.00 C ATOM 783 CD PRO A 53 3.172 -7.307 -5.304 1.00 0.00 C ATOM 0 HA PRO A 53 0.822 -8.637 -7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.537 -9.094 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.639 -9.997 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.258 -7.938 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.324 -9.133 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.210 -6.340 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.193 -7.557 -5.593 1.00 0.00 H new ATOM 791 N ILE A 54 0.112 -6.092 -5.302 1.00 0.00 N ATOM 792 CA ILE A 54 -0.949 -5.154 -4.977 1.00 0.00 C ATOM 793 C ILE A 54 -1.260 -4.297 -6.206 1.00 0.00 C ATOM 794 O ILE A 54 -2.367 -3.780 -6.342 1.00 0.00 O ATOM 795 CB ILE A 54 -0.581 -4.338 -3.736 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.802 -4.126 -2.838 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.081 -3.015 -4.125 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.982 -2.645 -2.498 1.00 0.00 C ATOM 0 H ILE A 54 1.029 -5.845 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.864 -5.688 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 54 0.149 -4.905 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.695 -4.499 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.687 -4.702 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.332 -2.455 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.990 -3.216 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.606 -2.430 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.856 -2.522 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.097 -2.281 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.121 -2.075 -3.417 1.00 0.00 H new ATOM 810 N THR A 55 -0.263 -4.174 -7.070 1.00 0.00 N ATOM 811 CA THR A 55 -0.416 -3.389 -8.283 1.00 0.00 C ATOM 812 C THR A 55 -1.433 -4.046 -9.218 1.00 0.00 C ATOM 813 O THR A 55 -2.368 -3.394 -9.680 1.00 0.00 O ATOM 814 CB THR A 55 0.968 -3.218 -8.913 1.00 0.00 C ATOM 815 OG1 THR A 55 1.411 -1.949 -8.438 1.00 0.00 O ATOM 816 CG2 THR A 55 0.902 -3.045 -10.432 1.00 0.00 C ATOM 0 H THR A 55 0.654 -4.605 -6.954 1.00 0.00 H new ATOM 0 HA THR A 55 -0.814 -2.398 -8.066 1.00 0.00 H new ATOM 0 HB THR A 55 1.586 -4.083 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.229 -1.264 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.910 -2.928 -10.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.436 -3.924 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.312 -2.160 -10.672 1.00 0.00 H new ATOM 824 N ALA A 56 -1.215 -5.328 -9.470 1.00 0.00 N ATOM 825 CA ALA A 56 -2.101 -6.081 -10.342 1.00 0.00 C ATOM 826 C ALA A 56 -3.418 -6.352 -9.613 1.00 0.00 C ATOM 827 O ALA A 56 -4.411 -6.723 -10.236 1.00 0.00 O ATOM 828 CB ALA A 56 -1.405 -7.369 -10.788 1.00 0.00 C ATOM 0 H ALA A 56 -0.438 -5.865 -9.086 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.333 -5.508 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.069 -7.934 -11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.491 -7.121 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.159 -7.971 -9.913 1.00 0.00 H new ATOM 834 N ALA A 57 -3.384 -6.155 -8.303 1.00 0.00 N ATOM 835 CA ALA A 57 -4.563 -6.373 -7.483 1.00 0.00 C ATOM 836 C ALA A 57 -5.639 -5.355 -7.863 1.00 0.00 C ATOM 837 O ALA A 57 -6.619 -5.699 -8.522 1.00 0.00 O ATOM 838 CB ALA A 57 -4.178 -6.291 -6.004 1.00 0.00 C ATOM 0 H ALA A 57 -2.558 -5.847 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.974 -7.367 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.062 -6.454 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.433 -7.054 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.764 -5.306 -5.790 1.00 0.00 H new ATOM 844 N LEU A 58 -5.421 -4.122 -7.430 1.00 0.00 N ATOM 845 CA LEU A 58 -6.360 -3.051 -7.717 1.00 0.00 C ATOM 846 C LEU A 58 -6.703 -3.064 -9.208 1.00 0.00 C ATOM 847 O LEU A 58 -7.830 -2.755 -9.593 1.00 0.00 O ATOM 848 CB LEU A 58 -5.811 -1.710 -7.225 1.00 0.00 C ATOM 849 CG LEU A 58 -4.599 -1.164 -7.981 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.372 -2.051 -7.764 1.00 0.00 C ATOM 851 CD2 LEU A 58 -4.917 -0.978 -9.466 1.00 0.00 C ATOM 0 H LEU A 58 -4.608 -3.841 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.292 -3.207 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.611 -0.971 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.542 -1.814 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.360 -0.180 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.524 -1.640 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.133 -2.088 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.583 -3.058 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.038 -0.589 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.197 -1.937 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.743 -0.275 -9.576 1.00 0.00 H new ATOM 863 N SER A 59 -5.710 -3.427 -10.008 1.00 0.00 N ATOM 864 CA SER A 59 -5.893 -3.485 -11.448 1.00 0.00 C ATOM 865 C SER A 59 -6.980 -4.504 -11.797 1.00 0.00 C ATOM 866 O SER A 59 -7.744 -4.302 -12.739 1.00 0.00 O ATOM 867 CB SER A 59 -4.584 -3.842 -12.155 1.00 0.00 C ATOM 868 OG SER A 59 -4.792 -4.188 -13.521 1.00 0.00 O ATOM 0 H SER A 59 -4.777 -3.684 -9.686 1.00 0.00 H new ATOM 0 HA SER A 59 -6.204 -2.499 -11.793 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.898 -2.997 -12.096 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.109 -4.676 -11.638 1.00 0.00 H new ATOM 0 HG SER A 59 -3.932 -4.408 -13.937 1.00 0.00 H new ATOM 874 N GLN A 60 -7.013 -5.575 -11.019 1.00 0.00 N ATOM 875 CA GLN A 60 -7.993 -6.626 -11.234 1.00 0.00 C ATOM 876 C GLN A 60 -9.400 -6.112 -10.922 1.00 0.00 C ATOM 877 O GLN A 60 -10.376 -6.560 -11.521 1.00 0.00 O ATOM 878 CB GLN A 60 -7.664 -7.864 -10.397 1.00 0.00 C ATOM 879 CG GLN A 60 -7.478 -9.094 -11.288 1.00 0.00 C ATOM 880 CD GLN A 60 -8.680 -9.288 -12.213 1.00 0.00 C ATOM 881 OE1 GLN A 60 -9.809 -8.961 -11.884 1.00 0.00 O ATOM 882 NE2 GLN A 60 -8.377 -9.837 -13.386 1.00 0.00 N ATOM 0 H GLN A 60 -6.377 -5.738 -10.239 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.958 -6.918 -12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.756 -7.687 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.465 -8.047 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.571 -8.983 -11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.345 -9.980 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.411 -10.087 -13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.111 -10.008 -14.074 1.00 0.00 H new ATOM 891 N ARG A 61 -9.459 -5.178 -9.983 1.00 0.00 N ATOM 892 CA ARG A 61 -10.730 -4.598 -9.584 1.00 0.00 C ATOM 893 C ARG A 61 -10.516 -3.198 -9.003 1.00 0.00 C ATOM 894 O ARG A 61 -10.818 -2.954 -7.836 1.00 0.00 O ATOM 895 CB ARG A 61 -11.432 -5.472 -8.543 1.00 0.00 C ATOM 896 CG ARG A 61 -12.027 -6.725 -9.191 1.00 0.00 C ATOM 897 CD ARG A 61 -12.868 -7.514 -8.186 1.00 0.00 C ATOM 898 NE ARG A 61 -12.403 -8.918 -8.129 1.00 0.00 N ATOM 899 CZ ARG A 61 -11.306 -9.325 -7.456 1.00 0.00 C ATOM 900 NH1 ARG A 61 -10.550 -8.436 -6.776 1.00 0.00 N ATOM 901 NH2 ARG A 61 -10.983 -10.604 -7.472 1.00 0.00 N ATOM 0 H ARG A 61 -8.647 -4.809 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.359 -4.535 -10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.723 -5.761 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.222 -4.900 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.644 -6.440 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.225 -7.356 -9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.794 -7.057 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.919 -7.482 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.945 -9.622 -8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.807 -7.449 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.723 -8.752 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.559 -11.269 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.157 -10.928 -6.969 1.00 0.00 H new ATOM 914 N ALA A 62 -9.996 -2.317 -9.844 1.00 0.00 N ATOM 915 CA ALA A 62 -9.738 -0.948 -9.429 1.00 0.00 C ATOM 916 C ALA A 62 -11.067 -0.245 -9.149 1.00 0.00 C ATOM 917 O ALA A 62 -11.175 0.533 -8.203 1.00 0.00 O ATOM 918 CB ALA A 62 -8.916 -0.235 -10.505 1.00 0.00 C ATOM 0 H ALA A 62 -9.746 -2.524 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.156 -0.929 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.722 0.792 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.969 -0.757 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.470 -0.231 -11.444 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.082 4.421 -7.013 1.00 0.00 N ATOM 1042 CA LEU A 71 -7.719 3.953 -6.831 1.00 0.00 C ATOM 1043 C LEU A 71 -6.863 5.092 -6.276 1.00 0.00 C ATOM 1044 O LEU A 71 -5.641 5.084 -6.421 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.179 3.355 -8.132 1.00 0.00 C ATOM 1046 CG LEU A 71 -6.580 1.951 -8.027 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -7.674 0.883 -8.090 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.504 1.734 -9.093 1.00 0.00 C ATOM 0 HA LEU A 71 -7.688 3.145 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.989 3.329 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.416 4.025 -8.528 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.094 1.857 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.222 -0.106 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.372 1.028 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.209 0.965 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.094 0.729 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.944 1.853 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.707 2.465 -8.959 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.537 6.046 -5.650 1.00 0.00 N ATOM 1061 CA LYS A 72 -6.853 7.191 -5.073 1.00 0.00 C ATOM 1062 C LYS A 72 -5.966 6.720 -3.919 1.00 0.00 C ATOM 1063 O LYS A 72 -4.796 7.092 -3.839 1.00 0.00 O ATOM 1064 CB LYS A 72 -7.860 8.271 -4.672 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.033 9.301 -5.791 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.914 10.343 -5.754 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.067 10.283 -7.027 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.696 11.646 -7.468 1.00 0.00 N ATOM 0 H LYS A 72 -8.550 6.049 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.199 7.656 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.821 7.811 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.522 8.769 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.034 8.797 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.999 9.796 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.343 11.339 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.281 10.172 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.167 9.696 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.623 9.778 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.122 11.587 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.558 12.195 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.147 12.116 -6.720 1.00 0.00 H new ATOM 1081 N THR A 73 -6.556 5.908 -3.054 1.00 0.00 N ATOM 1082 CA THR A 73 -5.833 5.382 -1.908 1.00 0.00 C ATOM 1083 C THR A 73 -4.643 4.539 -2.369 1.00 0.00 C ATOM 1084 O THR A 73 -3.531 4.701 -1.869 1.00 0.00 O ATOM 1085 CB THR A 73 -6.825 4.608 -1.038 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.018 5.386 -1.095 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.441 4.624 0.443 1.00 0.00 C ATOM 0 H THR A 73 -7.526 5.601 -3.124 1.00 0.00 H new ATOM 0 HA THR A 73 -5.408 6.185 -1.306 1.00 0.00 H new ATOM 0 HB THR A 73 -6.886 3.577 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.716 4.955 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.178 4.061 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.458 4.169 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.413 5.653 0.801 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.917 3.656 -3.319 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.882 2.787 -3.853 1.00 0.00 C ATOM 1097 C TRP A 74 -2.815 3.668 -4.506 1.00 0.00 C ATOM 1098 O TRP A 74 -1.625 3.509 -4.239 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.476 1.755 -4.814 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.462 1.161 -5.794 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.788 0.008 -5.687 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.031 1.743 -7.043 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.958 -0.196 -6.770 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.111 0.892 -7.621 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.407 2.947 -7.664 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.489 1.155 -8.848 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.777 3.195 -8.889 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.848 2.349 -9.485 1.00 0.00 C ATOM 0 H TRP A 74 -5.840 3.524 -3.732 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.415 2.208 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.921 0.947 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.282 2.222 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.883 -0.676 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.345 -0.998 -6.919 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.125 3.627 -7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.771 0.473 -9.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.030 4.108 -9.408 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.406 2.612 -10.435 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.280 4.577 -5.351 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.380 5.483 -6.044 1.00 0.00 C ATOM 1121 C GLY A 75 -1.218 5.900 -5.140 1.00 0.00 C ATOM 1122 O GLY A 75 -0.055 5.772 -5.520 1.00 0.00 O ATOM 0 H GLY A 75 -4.268 4.705 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.992 5.000 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.928 6.367 -6.369 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.574 6.392 -3.962 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.575 6.829 -3.001 1.00 0.00 C ATOM 1128 C LEU A 76 0.190 5.611 -2.479 1.00 0.00 C ATOM 1129 O LEU A 76 1.398 5.682 -2.255 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.224 7.667 -1.898 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.876 8.976 -2.347 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.331 9.052 -1.879 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -1.060 10.183 -1.881 1.00 0.00 C ATOM 0 H LEU A 76 -2.540 6.498 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 76 0.154 7.483 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.981 7.058 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.465 7.900 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.887 8.996 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.771 9.992 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.893 8.219 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.366 8.999 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.545 11.101 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.995 10.180 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.057 10.129 -2.304 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.543 4.523 -2.300 1.00 0.00 N ATOM 1146 CA VAL A 77 0.052 3.292 -1.809 1.00 0.00 C ATOM 1147 C VAL A 77 0.996 2.726 -2.871 1.00 0.00 C ATOM 1148 O VAL A 77 2.179 2.515 -2.607 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.046 2.307 -1.400 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.415 1.384 -2.562 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.627 1.499 -0.170 1.00 0.00 C ATOM 0 H VAL A 77 -1.544 4.468 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 77 0.647 3.486 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.932 2.884 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.197 0.694 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.775 1.980 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.536 0.818 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.425 0.807 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.280 0.938 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.437 2.176 0.663 1.00 0.00 H new ATOM 1161 N LEU A 78 0.439 2.497 -4.051 1.00 0.00 N ATOM 1162 CA LEU A 78 1.216 1.961 -5.155 1.00 0.00 C ATOM 1163 C LEU A 78 2.187 3.032 -5.657 1.00 0.00 C ATOM 1164 O LEU A 78 3.393 2.798 -5.728 1.00 0.00 O ATOM 1165 CB LEU A 78 0.293 1.409 -6.243 1.00 0.00 C ATOM 1166 CG LEU A 78 0.775 0.142 -6.952 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.135 0.368 -7.615 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.796 -1.050 -5.993 1.00 0.00 C ATOM 0 H LEU A 78 -0.542 2.673 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 78 1.818 1.115 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.680 1.204 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.142 2.186 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 78 0.066 -0.096 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.454 -0.548 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.053 1.169 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.868 0.644 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.142 -1.937 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.469 -0.837 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.209 -1.226 -5.609 1.00 0.00 H new ATOM 1180 N GLY A 79 1.625 4.183 -5.994 1.00 0.00 N ATOM 1181 CA GLY A 79 2.425 5.291 -6.488 1.00 0.00 C ATOM 1182 C GLY A 79 3.742 5.403 -5.716 1.00 0.00 C ATOM 1183 O GLY A 79 4.755 5.829 -6.268 1.00 0.00 O ATOM 0 H GLY A 79 0.625 4.373 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.632 5.150 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.863 6.220 -6.393 1.00 0.00 H new ATOM 1187 N ALA A 80 3.684 5.012 -4.451 1.00 0.00 N ATOM 1188 CA ALA A 80 4.859 5.063 -3.598 1.00 0.00 C ATOM 1189 C ALA A 80 5.867 4.009 -4.061 1.00 0.00 C ATOM 1190 O ALA A 80 7.051 4.303 -4.214 1.00 0.00 O ATOM 1191 CB ALA A 80 4.440 4.868 -2.139 1.00 0.00 C ATOM 0 H ALA A 80 2.842 4.659 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 80 5.344 6.037 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.322 4.906 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.748 5.659 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.952 3.900 -2.027 1.00 0.00 H new ATOM 1197 N LEU A 81 5.359 2.803 -4.271 1.00 0.00 N ATOM 1198 CA LEU A 81 6.200 1.704 -4.713 1.00 0.00 C ATOM 1199 C LEU A 81 6.954 2.121 -5.978 1.00 0.00 C ATOM 1200 O LEU A 81 8.153 1.877 -6.098 1.00 0.00 O ATOM 1201 CB LEU A 81 5.370 0.430 -4.884 1.00 0.00 C ATOM 1202 CG LEU A 81 6.139 -0.817 -5.325 1.00 0.00 C ATOM 1203 CD1 LEU A 81 6.836 -0.585 -6.667 1.00 0.00 C ATOM 1204 CD2 LEU A 81 7.118 -1.269 -4.241 1.00 0.00 C ATOM 0 H LEU A 81 4.376 2.563 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 81 6.950 1.470 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.876 0.212 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.586 0.626 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 81 5.423 -1.626 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.375 -1.487 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.092 -0.346 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.538 0.244 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.652 -2.157 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.833 -0.471 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.569 -1.502 -3.329 1.00 0.00 H new ATOM 1216 N LYS A 82 6.219 2.744 -6.888 1.00 0.00 N ATOM 1217 CA LYS A 82 6.804 3.197 -8.138 1.00 0.00 C ATOM 1218 C LYS A 82 7.746 4.370 -7.861 1.00 0.00 C ATOM 1219 O LYS A 82 8.651 4.643 -8.647 1.00 0.00 O ATOM 1220 CB LYS A 82 5.708 3.517 -9.157 1.00 0.00 C ATOM 1221 CG LYS A 82 5.379 2.291 -10.012 1.00 0.00 C ATOM 1222 CD LYS A 82 4.104 1.605 -9.519 1.00 0.00 C ATOM 1223 CE LYS A 82 4.353 0.121 -9.238 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.415 -0.403 -10.126 1.00 0.00 N ATOM 0 H LYS A 82 5.224 2.945 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 82 7.404 2.405 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.811 3.854 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.031 4.336 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.256 2.591 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.211 1.587 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.750 2.096 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.318 1.710 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.642 -0.014 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.433 -0.443 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.304 -1.432 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.341 0.049 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.347 -0.195 -9.713 1.00 0.00 H new ATOM 1237 N ALA A 83 7.501 5.032 -6.739 1.00 0.00 N ATOM 1238 CA ALA A 83 8.316 6.169 -6.348 1.00 0.00 C ATOM 1239 C ALA A 83 9.714 5.681 -5.964 1.00 0.00 C ATOM 1240 O ALA A 83 10.705 6.363 -6.219 1.00 0.00 O ATOM 1241 CB ALA A 83 7.628 6.922 -5.207 1.00 0.00 C ATOM 0 H ALA A 83 6.750 4.802 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 83 8.427 6.866 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.239 7.775 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.651 7.273 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.503 6.255 -4.354 1.00 0.00 H new ATOM 1247 N ALA A 84 9.749 4.503 -5.358 1.00 0.00 N ATOM 1248 CA ALA A 84 11.010 3.915 -4.937 1.00 0.00 C ATOM 1249 C ALA A 84 11.858 3.600 -6.170 1.00 0.00 C ATOM 1250 O ALA A 84 13.015 4.007 -6.253 1.00 0.00 O ATOM 1251 CB ALA A 84 10.735 2.675 -4.084 1.00 0.00 C ATOM 0 H ALA A 84 8.925 3.940 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 84 11.574 4.615 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.680 2.234 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.156 2.959 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.173 1.948 -4.670 1.00 0.00 H new ATOM 1257 N ARG A 85 11.248 2.876 -7.098 1.00 0.00 N ATOM 1258 CA ARG A 85 11.933 2.501 -8.324 1.00 0.00 C ATOM 1259 C ARG A 85 12.256 3.745 -9.154 1.00 0.00 C ATOM 1260 O ARG A 85 13.114 3.703 -10.034 1.00 0.00 O ATOM 1261 CB ARG A 85 11.080 1.545 -9.161 1.00 0.00 C ATOM 1262 CG ARG A 85 11.861 0.277 -9.511 1.00 0.00 C ATOM 1263 CD ARG A 85 11.509 -0.865 -8.556 1.00 0.00 C ATOM 1264 NE ARG A 85 10.512 -1.761 -9.183 1.00 0.00 N ATOM 1265 CZ ARG A 85 9.692 -2.582 -8.494 1.00 0.00 C ATOM 1266 NH1 ARG A 85 9.744 -2.628 -7.145 1.00 0.00 N ATOM 1267 NH2 ARG A 85 8.839 -3.339 -9.157 1.00 0.00 N ATOM 0 H ARG A 85 10.288 2.539 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 85 12.858 1.996 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.178 1.280 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.760 2.044 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.639 -0.020 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.931 0.480 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.407 -1.428 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.112 -0.462 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 85 10.440 -1.758 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.406 -2.039 -6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.121 -3.251 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.806 -3.298 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.212 -3.965 -8.651 1.00 0.00 H new ATOM 1280 N GLU A 86 11.551 4.823 -8.844 1.00 0.00 N ATOM 1281 CA GLU A 86 11.752 6.077 -9.550 1.00 0.00 C ATOM 1282 C GLU A 86 13.049 6.745 -9.088 1.00 0.00 C ATOM 1283 O GLU A 86 13.988 6.892 -9.868 1.00 0.00 O ATOM 1284 CB GLU A 86 10.556 7.012 -9.359 1.00 0.00 C ATOM 1285 CG GLU A 86 9.788 7.194 -10.669 1.00 0.00 C ATOM 1286 CD GLU A 86 9.462 8.669 -10.914 1.00 0.00 C ATOM 1287 OE1 GLU A 86 8.512 9.201 -10.321 1.00 0.00 O ATOM 1288 OE2 GLU A 86 10.238 9.266 -11.753 1.00 0.00 O ATOM 0 H GLU A 86 10.840 4.854 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 86 11.837 5.862 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.891 6.606 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.901 7.981 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.380 6.806 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.865 6.614 -10.637 1.00 0.00 H new ATOM 1296 N GLU A 87 13.059 7.132 -7.821 1.00 0.00 N ATOM 1297 CA GLU A 87 14.225 7.780 -7.245 1.00 0.00 C ATOM 1298 C GLU A 87 15.013 6.790 -6.385 1.00 0.00 C ATOM 1299 O GLU A 87 14.846 5.578 -6.516 1.00 0.00 O ATOM 1300 CB GLU A 87 13.822 9.012 -6.433 1.00 0.00 C ATOM 1301 CG GLU A 87 14.484 10.275 -6.988 1.00 0.00 C ATOM 1302 CD GLU A 87 15.038 11.146 -5.858 1.00 0.00 C ATOM 1303 OE1 GLU A 87 14.325 12.018 -5.341 1.00 0.00 O ATOM 1304 OE2 GLU A 87 16.256 10.889 -5.519 1.00 0.00 O ATOM 0 H GLU A 87 12.278 7.009 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 87 14.868 8.116 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.738 9.126 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.109 8.875 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.290 9.999 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.759 10.845 -7.569 1.00 0.00 H new