USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 570 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= -2.07! 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= -2.2! USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= -0.233 (180deg=-0.387) USER MOD Single : A 9 SER OG : rot 83:sc= 0.224! USER MOD Single : A 12 CYS SG : rot 25:sc= -13.2! USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= -4.03! (180deg=-6.74!) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.25! USER MOD Single : A 16 CYS SG : rot 160:sc= -1.85 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= -0.356 (180deg=-0.463) USER MOD Single : A 31 SER OG : rot 74:sc= 0.271 USER MOD Single : A 34 GLN : amide:sc= -1.21 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= -10.6! 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= 0.0705 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -0.594 (180deg=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 10.456 -5.026 12.595 1.00 0.00 N ATOM 9 CA GLU A 2 9.367 -4.137 12.962 1.00 0.00 C ATOM 10 C GLU A 2 9.013 -3.221 11.789 1.00 0.00 C ATOM 11 O GLU A 2 8.016 -2.501 11.838 1.00 0.00 O ATOM 12 CB GLU A 2 9.718 -3.322 14.208 1.00 0.00 C ATOM 13 CG GLU A 2 8.805 -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 15.320 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 8.494 -4.744 13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.757 -3.502 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.625 -2.258 13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.694 -4.771 15.433 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.261 -3.367 16.314 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 9.636 -2.459 9.579 1.00 0.00 C ATOM 26 C ALA A 3 8.703 -3.197 8.618 1.00 0.00 C ATOM 27 O ALA A 3 7.840 -2.583 7.991 1.00 0.00 O ATOM 28 CB ALA A 3 10.987 -2.125 8.941 1.00 0.00 C ATOM 0 H ALA A 3 10.675 -3.873 10.726 1.00 0.00 H new ATOM 0 HA ALA A 3 9.158 -1.516 9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.829 -1.513 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.601 -1.577 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.494 -3.048 8.659 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 7.655 1.00 0.00 C ATOM 36 C VAL A 4 6.620 -4.963 7.838 1.00 0.00 C ATOM 37 O VAL A 4 5.815 -5.137 6.924 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 7.245 -7.454 8.717 1.00 0.00 C ATOM 40 CG2 VAL A 4 8.626 -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 -5.146 6.611 1.00 0.00 H new ATOM 0 HB VAL A 4 9.289 -6.874 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.473 -8.506 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.138 -6.943 9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.314 -7.372 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.827 -8.612 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.744 -7.486 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.483 -7.128 6.095 1.00 0.00 H new ATOM 50 N ILE A 5 6.310 -4.466 9.026 1.00 0.00 N ATOM 51 CA ILE A 5 4.946 -4.074 9.341 1.00 0.00 C ATOM 52 C ILE A 5 4.766 -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 4.601 -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 6.958 -5.326 10.991 1.00 0.00 C ATOM 0 H ILE A 5 6.980 -4.326 9.782 1.00 0.00 H new ATOM 0 HA ILE A 5 4.238 -4.617 8.715 1.00 0.00 H new ATOM 0 HB ILE A 5 4.811 -3.593 11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.330 -5.749 12.343 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.179 -6.529 10.781 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 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.852 -5.603 10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.560 -6.161 11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.107 -5.206 9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.261 -4.413 11.504 1.00 0.00 H new ATOM 69 N LYS A 6 5.436 -1.764 9.829 1.00 0.00 N ATOM 70 CA LYS A 6 5.358 -0.324 9.656 1.00 0.00 C ATOM 71 C LYS A 6 5.609 0.022 8.187 1.00 0.00 C ATOM 72 O LYS A 6 5.214 1.088 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 13.873 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 6.036 -2.069 10.595 1.00 0.00 H new ATOM 0 HA LYS A 6 4.359 0.036 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.850 -0.354 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.046 0.955 10.065 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 14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.229 1.901 14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.291 0.082 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.437 0.284 13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.706 0.976 15.018 1.00 0.00 H new ATOM 90 N VAL A 7 6.270 -0.898 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 5.278 -0.671 5.288 1.00 0.00 C ATOM 93 O VAL A 7 4.883 0.378 4.784 1.00 0.00 O ATOM 94 CB VAL A 7 7.549 -1.787 5.616 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.944 -3.182 5.792 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.966 -1.550 4.164 1.00 0.00 C ATOM 0 H VAL A 7 6.600 -1.780 7.890 1.00 0.00 H new ATOM 0 HA VAL A 7 7.079 0.252 5.941 1.00 0.00 H new ATOM 0 HB VAL A 7 8.444 -1.729 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.654 -3.933 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.722 -3.352 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.025 -3.256 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.655 -2.334 3.851 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 8.457 -0.580 4.080 1.00 0.00 H new ATOM 106 N ILE A 8 4.649 -1.833 5.193 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 2.485 -0.782 4.830 1.00 0.00 C ATOM 109 O ILE A 8 1.887 -0.154 3.956 1.00 0.00 O ATOM 110 CB ILE A 8 2.769 -3.324 4.691 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 -3.060 2.451 1.00 0.00 C ATOM 0 H ILE A 8 4.980 -2.702 5.612 1.00 0.00 H new ATOM 0 HA ILE A 8 3.583 -1.886 3.386 1.00 0.00 H new ATOM 0 HB ILE A 8 3.500 -3.955 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.347 -4.311 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.848 -4.905 3.547 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 1.411 -3.567 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.710 -2.772 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.232 -2.169 2.247 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 0.554 6.624 1.00 0.00 C ATOM 127 C SER A 9 2.140 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 1.446 0.502 8.148 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 0.569 0.435 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.395 0.564 8.430 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.817 -0.457 8.509 1.00 0.00 H new ATOM 0 HG SER A 9 1.623 2.371 8.782 1.00 0.00 H new ATOM 136 N SER A 10 3.332 2.196 6.686 1.00 0.00 N ATOM 137 CA SER A 10 3.998 3.444 6.354 1.00 0.00 C ATOM 138 C SER A 10 4.278 3.503 4.852 1.00 0.00 C ATOM 139 O SER A 10 3.916 4.474 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 3.853 1.590 7.320 1.00 0.00 H new ATOM 0 HA SER A 10 3.338 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 2.583 2.117 1.00 0.00 C ATOM 150 O ALA A 11 4.062 2.947 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 4.914 1.00 0.00 H new ATOM 0 HA ALA A 11 5.960 3.161 2.675 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 2.853 2.340 2.757 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 4.496 0.842 1.00 0.00 O ATOM 161 CB CYS A 12 0.453 1.761 2.836 1.00 0.00 C ATOM 162 SG CYS A 12 0.086 0.171 2.008 1.00 0.00 S ATOM 0 H CYS A 12 2.795 2.037 3.729 1.00 0.00 H new ATOM 0 HA CYS A 12 1.614 2.042 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.751 1.582 3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.444 2.380 2.866 1.00 0.00 H new ATOM 0 HG CYS A 12 1.136 -0.230 1.354 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 0.945 6.084 3.116 1.00 0.00 C ATOM 170 C LYS A 13 2.263 6.847 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 6.418 4.196 1.00 0.00 C ATOM 173 CG LYS A 13 -1.442 6.752 3.575 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 7.924 1.443 1.00 0.00 C ATOM 176 NZ LYS A 13 -3.002 9.083 1.223 1.00 0.00 N ATOM 0 H LYS A 13 1.349 4.235 4.014 1.00 0.00 H new ATOM 0 HA LYS A 13 0.498 6.401 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.189 5.573 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.267 7.263 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.756 5.939 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.193 6.838 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.820 8.865 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 7.856 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.689 7.002 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.941 8.746 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.090 9.626 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.604 9.692 0.480 1.00 0.00 H new ATOM 189 N THR A 14 3.089 6.364 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 6.313 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 6.027 7.205 6.358 1.00 0.00 C ATOM 0 H THR A 14 2.890 5.548 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 5.473 5.379 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.699 7.124 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.437 6.680 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.832 7.446 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.545 8.125 6.689 1.00 0.00 H new ATOM 203 N TYR A 15 5.046 5.853 2.413 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 5.704 6.862 0.270 1.00 0.00 C ATOM 206 O TYR A 15 6.676 7.592 0.082 1.00 0.00 O ATOM 207 CB TYR A 15 5.184 4.436 0.501 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 -1.078 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 3.718 -1.978 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.854 1.678 -1.602 1.00 0.00 C ATOM 213 CZ TYR A 15 7.849 2.389 -2.197 1.00 0.00 C ATOM 214 OH TYR A 15 8.689 1.744 -3.048 1.00 0.00 O ATOM 0 H TYR A 15 4.353 5.130 2.608 1.00 0.00 H new ATOM 0 HA TYR A 15 6.866 5.498 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.841 3.733 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.304 4.762 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.279 5.458 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.166 1.819 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.844 4.248 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.734 0.623 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 15 9.357 1.245 -2.533 1.00 0.00 H new ATOM 224 N CYS A 16 4.513 7.040 -0.282 1.00 0.00 N ATOM 225 CA CYS A 16 4.265 8.154 -1.183 1.00 0.00 C ATOM 226 C CYS A 16 3.596 9.275 -0.387 1.00 0.00 C ATOM 227 O CYS A 16 4.012 10.431 -0.465 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 2.269 9.071 -2.849 1.00 0.00 S ATOM 0 H CYS A 16 3.709 6.432 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 16 5.210 8.513 -1.591 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 2.866 6.823 -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 2.569 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 2.757 10.518 2.199 1.00 0.00 C ATOM 238 O GLY A 17 2.448 11.591 2.715 1.00 0.00 O ATOM 0 H GLY A 17 2.225 7.939 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.399 10.620 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.016 9.356 1.680 1.00 0.00 H new ATOM 242 N LYS A 18 3.870 9.852 2.468 1.00 0.00 N ATOM 243 CA LYS A 18 4.837 10.361 3.426 1.00 0.00 C ATOM 244 C LYS A 18 4.115 11.228 4.459 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 5.976 11.083 2.705 1.00 0.00 C ATOM 247 CG LYS A 18 6.990 11.643 3.705 1.00 0.00 C ATOM 248 CD LYS A 18 8.361 10.989 3.519 1.00 0.00 C ATOM 249 CE LYS A 18 9.362 11.510 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 4.124 8.962 2.038 1.00 0.00 H new ATOM 0 HA LYS A 18 5.305 9.540 3.969 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 5.572 11.894 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.077 12.722 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.636 11.472 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.267 9.907 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.732 11.192 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.171 12.040 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.873 12.227 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 5.901 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 4.880 4.964 1.00 0.00 C ATOM 337 O LYS A 24 -4.527 3.734 4.523 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 7.356 2.662 1.00 0.00 C ATOM 341 CE LYS A 24 -9.155 7.929 3.310 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 7.722 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.970 6.270 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.881 8.684 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.764 8.427 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.792 7.264 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.218 6.150 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.362 6.399 4.694 1.00 0.00 H new ATOM 355 N GLU A 25 -3.448 5.391 5.621 1.00 0.00 N ATOM 356 CA GLU A 25 -2.258 4.599 5.874 1.00 0.00 C ATOM 357 C GLU A 25 -2.644 3.188 6.324 1.00 0.00 C ATOM 358 O GLU A 25 -2.562 2.241 5.544 1.00 0.00 O ATOM 359 CB GLU A 25 -1.358 5.277 6.909 1.00 0.00 C ATOM 360 CG GLU A 25 -0.134 4.415 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 0.309 5.977 8.993 1.00 0.00 O ATOM 363 OE2 GLU A 25 1.259 3.947 9.097 1.00 0.00 O ATOM 0 H GLU A 25 -3.413 6.343 5.985 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.694 4.521 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.036 6.249 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.923 5.458 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.428 3.367 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.590 4.498 6.412 1.00 0.00 H new ATOM 371 N ILE A 26 -3.055 3.094 7.579 1.00 0.00 N ATOM 372 CA ILE A 26 -3.454 1.815 8.143 1.00 0.00 C ATOM 373 C ILE A 26 -4.502 1.168 7.235 1.00 0.00 C ATOM 374 O ILE A 26 -4.552 -0.055 7.114 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 2.717 10.421 1.00 0.00 C ATOM 377 CG2 ILE A 26 -4.303 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 3.883 8.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.603 1.135 8.185 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.812 2.612 9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.310 1.997 11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.137 3.194 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.629 0.794 11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.114 0.197 9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.440 -0.023 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.731 4.273 11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.032 4.501 10.714 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 -5.759 0.767 4.550 1.00 0.00 C ATOM 393 O GLY A 27 -5.799 -0.462 4.529 1.00 0.00 O ATOM 0 H GLY A 27 -5.265 3.031 6.721 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 0.913 2.424 1.00 0.00 C ATOM 399 C ALA A 28 -3.676 -0.215 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 -5.185 2.535 3.621 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.378 0.476 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 -3.117 2.450 2.224 1.00 0.00 H new ATOM 407 N MET A 29 -2.951 0.044 3.938 1.00 0.00 N ATOM 408 CA MET A 29 -2.018 -0.936 4.464 1.00 0.00 C ATOM 409 C MET A 29 -2.626 -2.340 4.445 1.00 0.00 C ATOM 410 O MET A 29 -2.039 -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 -1.680 6.564 1.00 0.00 C ATOM 413 SD MET A 29 -1.365 -1.895 8.253 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 0.918 4.461 1.00 0.00 H new ATOM 0 HA MET A 29 -1.129 -0.938 3.833 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.057 0.359 5.897 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 -0.964 -2.611 6.012 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.229 -1.439 6.536 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.353 -3.445 9.753 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.311 -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 -2.450 5.060 1.00 0.00 N ATOM 425 CA LEU A 30 -4.490 -3.726 5.119 1.00 0.00 C ATOM 426 C LEU A 30 -5.569 -3.766 4.036 1.00 0.00 C ATOM 427 O LEU A 30 -5.636 -4.713 3.254 1.00 0.00 O ATOM 428 CB LEU A 30 -5.025 -3.977 6.530 1.00 0.00 C ATOM 429 CG LEU A 30 -4.220 -4.954 7.389 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.327 -4.596 8.874 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.640 -6.400 7.116 1.00 0.00 C ATOM 0 H LEU A 30 -4.278 -1.679 5.521 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.802 -4.545 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.076 -3.022 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.045 -4.351 6.449 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.170 -4.867 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.746 -5.306 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.940 -3.590 9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.371 -4.637 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.052 -7.074 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.698 -6.521 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.469 -6.636 6.066 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 -2.628 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 -3.290 0.741 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 -8.484 -1.007 4.575 1.00 0.00 O ATOM 0 H SER A 31 -6.330 -1.939 4.672 1.00 0.00 H new ATOM 0 HA SER A 31 -8.155 -3.451 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.669 -0.505 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.181 -1.388 2.672 1.00 0.00 H new ATOM 0 HG SER A 31 -7.653 -0.707 5.000 1.00 0.00 H new ATOM 454 N LEU A 32 -5.689 -2.209 1.467 1.00 0.00 N ATOM 455 CA LEU A 32 -5.028 -2.243 0.174 1.00 0.00 C ATOM 456 C LEU A 32 -4.552 -3.668 -0.112 1.00 0.00 C ATOM 457 O LEU A 32 -5.047 -4.318 -1.032 1.00 0.00 O ATOM 458 CB LEU A 32 -3.910 -1.199 0.116 1.00 0.00 C ATOM 459 CG LEU A 32 -3.748 -0.463 -1.215 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.402 -1.244 -2.355 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.281 0.967 -1.119 1.00 0.00 C ATOM 0 H LEU A 32 -5.155 -1.753 2.207 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.726 -1.973 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.089 -0.460 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.967 -1.692 0.353 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.684 -0.394 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.273 -0.699 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.935 -2.225 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.466 -1.365 -2.150 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 -5.339 0.944 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.730 1.510 -0.351 1.00 0.00 H new ATOM 473 N LEU A 33 -3.598 -4.113 0.691 1.00 0.00 N ATOM 474 CA LEU A 33 -3.049 -5.449 0.534 1.00 0.00 C ATOM 475 C LEU A 33 -4.081 -6.478 1.005 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 -1.701 -5.563 1.249 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 -0.235 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.195 -3.343 0.163 1.00 0.00 C ATOM 0 H LEU A 33 -3.190 -3.572 1.453 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.846 -5.655 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.859 -5.378 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.346 -6.589 1.153 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 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.791 -6.190 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.253 -5.676 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.391 -2.692 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.841 -3.597 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.778 -2.827 0.926 1.00 0.00 H new ATOM 492 N GLN A 34 -4.633 -6.219 2.180 1.00 0.00 N ATOM 493 CA GLN A 34 -5.630 -7.110 2.750 1.00 0.00 C ATOM 494 C GLN A 34 -6.916 -7.066 1.924 1.00 0.00 C ATOM 495 O GLN A 34 -7.878 -7.771 2.227 1.00 0.00 O ATOM 496 CB GLN A 34 -5.906 -6.758 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 -7.077 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 -4.410 -5.406 2.753 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.239 -8.127 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.062 -6.204 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.777 -6.105 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 -8.231 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.584 -9.277 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.143 -8.610 7.679 1.00 0.00 H new ATOM 509 N LYS A 35 -6.894 -6.229 0.896 1.00 0.00 N ATOM 510 CA LYS A 35 -8.045 -6.084 0.024 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 -4.839 0.404 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 2.079 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.170 -3.959 2.462 1.00 0.00 N ATOM 0 H LYS A 35 -6.096 -5.644 0.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.725 -6.927 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.476 -4.431 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.717 -4.068 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.898 -4.698 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.485 -6.247 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.273 -5.112 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.801 -3.613 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.717 -5.557 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.406 -5.892 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.157 -4.263 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.818 -3.560 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.120 -3.236 1.716 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 -2.988 1.00 0.00 C ATOM 532 C GLU A 36 -5.438 -8.246 -3.288 1.00 0.00 C ATOM 533 O GLU A 36 -4.850 -8.516 -4.334 1.00 0.00 O ATOM 534 CB GLU A 36 -4.701 -5.838 -3.157 1.00 0.00 C ATOM 535 CG GLU A 36 -5.184 -4.487 -3.690 1.00 0.00 C ATOM 536 CD GLU A 36 -6.499 -4.639 -4.460 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.538 -5.332 -5.488 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.503 -4.009 -3.955 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 -6.642 -6.527 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.199 -5.697 -2.200 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 -5.322 -3.793 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.424 -4.057 -4.342 1.00 0.00 H new ATOM 546 N GLY A 37 -5.745 -9.131 -2.351 1.00 0.00 N ATOM 547 CA GLY A 37 -5.394 -10.533 -2.500 1.00 0.00 C ATOM 548 C GLY A 37 -3.926 -10.772 -2.147 1.00 0.00 C ATOM 549 O GLY A 37 -3.249 -11.571 -2.793 1.00 0.00 O ATOM 0 H GLY A 37 -6.234 -8.904 -1.485 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 -5.581 -10.851 -3.526 1.00 0.00 H new ATOM 553 N LEU A 38 -3.472 -10.062 -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 -10.129 0.851 1.00 0.00 C ATOM 556 O LEU A 38 -1.212 -9.437 1.426 1.00 0.00 O ATOM 557 CB LEU A 38 -1.215 -9.138 -1.359 1.00 0.00 C ATOM 558 CG LEU A 38 -1.843 -8.400 -2.544 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 -4.034 -9.398 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.686 -11.154 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.919 -8.400 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.303 -9.627 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.907 -8.273 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.710 -6.499 -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 -8.677 -4.655 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 -3.699 1.00 0.00 H new ATOM 572 N LEU A 39 -2.968 -10.861 1.467 1.00 0.00 N ATOM 573 CA LEU A 39 -3.045 -10.901 2.917 1.00 0.00 C ATOM 574 C LEU A 39 -2.358 -12.170 3.425 1.00 0.00 C ATOM 575 O LEU A 39 -2.940 -13.253 3.391 1.00 0.00 O ATOM 576 CB LEU A 39 -4.496 -10.761 3.380 1.00 0.00 C ATOM 577 CG LEU A 39 -5.568 -11.043 2.326 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 -6.963 -10.697 2.854 1.00 0.00 C ATOM 0 H LEU A 39 -3.664 -11.432 0.988 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.513 -10.054 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.655 -11.437 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.641 -9.747 3.754 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.381 -10.398 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.256 -12.662 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.503 -12.664 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.630 -13.169 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.706 -10.907 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.177 -11.298 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.001 -9.640 3.116 1.00 0.00 H new ATOM 591 N MET A 40 -1.128 -11.994 3.885 1.00 0.00 N ATOM 592 CA MET A 40 -0.354 -13.111 4.400 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 6.484 1.00 0.00 O ATOM 595 CB MET A 40 0.560 -13.649 3.297 1.00 0.00 C ATOM 596 CG MET A 40 0.741 -15.164 3.424 1.00 0.00 C ATOM 597 SD MET A 40 -0.730 -16.003 2.858 1.00 0.00 S ATOM 598 CE MET A 40 -0.353 -16.144 1.118 1.00 0.00 C ATOM 0 H MET A 40 -0.648 -11.094 3.912 1.00 0.00 H new ATOM 0 HA MET A 40 -1.045 -13.889 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.137 -13.410 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.531 -13.157 3.353 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.602 -15.486 2.838 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.944 -15.429 4.462 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.173 -16.649 0.608 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.218 -15.149 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.563 -16.720 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 -10.874 6.679 1.00 0.00 C ATOM 610 C SER A 41 2.491 -9.681 6.174 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 7.263 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 0.637 -10.749 4.864 1.00 0.00 H new ATOM 0 HA SER A 41 1.008 -10.540 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.167 -12.344 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.694 -12.770 6.560 1.00 0.00 H new ATOM 0 HG SER A 41 4.582 -11.996 7.135 1.00 0.00 H new ATOM 619 N PRO A 42 2.995 -8.876 7.149 1.00 0.00 N ATOM 620 CA PRO A 42 3.787 -7.705 6.818 1.00 0.00 C ATOM 621 C PRO A 42 5.195 -8.105 6.372 1.00 0.00 C ATOM 622 O PRO A 42 6.115 -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 -7.790 9.207 1.00 0.00 C ATOM 625 CD PRO A 42 2.821 -9.058 8.587 1.00 0.00 C ATOM 0 HA PRO A 42 3.379 -7.146 5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.763 -6.419 8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.077 -6.028 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.242 -8.020 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.637 -7.318 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.353 -9.941 8.942 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.771 -9.194 8.845 1.00 0.00 H new ATOM 633 N SER A 43 5.320 -9.361 5.968 1.00 0.00 N ATOM 634 CA SER A 43 6.601 -9.878 5.518 1.00 0.00 C ATOM 635 C SER A 43 6.955 -9.285 4.153 1.00 0.00 C ATOM 636 O SER A 43 8.116 -9.292 3.750 1.00 0.00 O ATOM 637 CB SER A 43 6.582 -11.406 5.444 1.00 0.00 C ATOM 638 OG SER A 43 6.822 -12.006 6.713 1.00 0.00 O ATOM 0 H SER A 43 4.555 -10.035 5.943 1.00 0.00 H new ATOM 0 HA SER A 43 7.361 -9.585 6.242 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 7.338 -11.744 4.735 1.00 0.00 H new ATOM 0 HG SER A 43 7.578 -11.560 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 6.119 -8.188 2.166 1.00 0.00 C ATOM 646 C ASP A 44 7.424 -7.389 2.156 1.00 0.00 C ATOM 647 O ASP A 44 8.076 -7.270 1.118 1.00 0.00 O ATOM 648 CB ASP A 44 4.975 -7.229 1.828 1.00 0.00 C ATOM 649 CG ASP A 44 4.840 -6.881 0.343 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 -8.779 3.813 1.00 0.00 H new ATOM 0 HA ASP A 44 6.146 -8.992 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.038 -7.670 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.116 -6.306 2.391 1.00 0.00 H new ATOM 657 N LEU A 45 7.766 -6.862 3.322 1.00 0.00 N ATOM 658 CA LEU A 45 8.983 -6.080 3.461 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 11.261 -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 10.053 -3.271 5.885 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.800 -5.672 6.224 1.00 0.00 C ATOM 0 H LEU A 45 7.222 -6.961 4.179 1.00 0.00 H new ATOM 0 HA LEU A 45 9.119 -5.431 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.288 -4.279 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.339 -5.664 5.460 1.00 0.00 H new ATOM 0 HG LEU A 45 10.923 -4.549 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.012 -2.943 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.711 -2.559 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.322 -3.326 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.744 -5.296 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.102 -5.831 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.973 -6.616 5.707 1.00 0.00 H new ATOM 676 N TYR A 46 9.972 -8.178 4.112 1.00 0.00 N ATOM 677 CA TYR A 46 11.029 -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 2.764 1.00 0.00 O ATOM 680 CB TYR A 46 10.370 -10.417 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 7.056 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 9.082 -8.452 4.528 1.00 0.00 H new ATOM 0 HA TYR A 46 11.844 -8.793 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.460 -10.635 4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.038 -11.267 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.230 -8.555 6.596 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 -8.354 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 -9.107 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 11.035 -8.147 -0.420 1.00 0.00 C ATOM 700 O SER A 47 9.895 -7.696 -0.516 1.00 0.00 O ATOM 701 CB SER A 47 10.625 -10.605 -0.111 1.00 0.00 C ATOM 702 OG SER A 47 11.206 -11.024 -1.341 1.00 0.00 O ATOM 0 H SER A 47 10.008 -8.597 1.903 1.00 0.00 H new ATOM 0 HA SER A 47 12.391 -9.556 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.683 -11.418 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.568 -10.390 -0.265 1.00 0.00 H new ATOM 0 HG SER A 47 10.736 -11.818 -1.671 1.00 0.00 H new ATOM 708 N PRO A 48 12.121 -7.633 -1.057 1.00 0.00 N ATOM 709 CA PRO A 48 12.001 -6.474 -1.926 1.00 0.00 C ATOM 710 C PRO A 48 11.356 -6.853 -3.259 1.00 0.00 C ATOM 711 O PRO A 48 11.749 -7.836 -3.887 1.00 0.00 O ATOM 712 CB PRO A 48 13.420 -5.950 -2.081 1.00 0.00 C ATOM 713 CG PRO A 48 14.335 -7.095 -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 11.349 -5.704 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.612 -5.640 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.585 -5.077 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.817 -7.526 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.129 -6.737 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.580 -9.115 -1.446 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 10.376 -6.054 -3.655 1.00 0.00 N ATOM 723 CA GLY A 49 9.671 -6.295 -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 8.328 -8.229 -5.362 1.00 0.00 O ATOM 0 H GLY A 49 10.054 -5.239 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.338 -5.347 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.350 -6.745 -5.626 1.00 0.00 H new ATOM 729 N SER A 50 7.629 -6.822 -3.736 1.00 0.00 N ATOM 730 CA SER A 50 6.441 -7.598 -3.422 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 4.131 -7.093 -3.007 1.00 0.00 O ATOM 733 CB SER A 50 6.568 -8.266 -2.051 1.00 0.00 C ATOM 734 OG SER A 50 6.678 -9.682 -2.157 1.00 0.00 O ATOM 0 H SER A 50 7.749 -5.979 -3.175 1.00 0.00 H new ATOM 0 HA SER A 50 6.336 -8.383 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.443 -7.872 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.699 -8.014 -1.443 1.00 0.00 H new ATOM 0 HG SER A 50 6.759 -10.072 -1.261 1.00 0.00 H new ATOM 740 N TRP A 51 5.394 -5.507 -4.008 1.00 0.00 N ATOM 741 CA TRP A 51 4.306 -4.549 -4.114 1.00 0.00 C ATOM 742 C TRP A 51 3.702 -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 -2.823 -2.293 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.592 -3.427 -1.355 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.105 -1.803 -1.595 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.382 -2.873 -0.110 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.448 -1.854 -0.260 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.172 -0.868 -2.078 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.906 -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 -0.055 0.247 1.00 0.00 C ATOM 0 H TRP A 51 6.286 -5.183 -4.383 1.00 0.00 H new ATOM 0 HA TRP A 51 3.529 -4.766 -3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.780 -2.992 -4.220 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 6.270 -4.245 -1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.830 -3.158 0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.889 -0.811 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.191 -1.055 1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.916 0.720 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.520 0.638 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 -6.568 -8.579 1.00 0.00 O ATOM 768 CB ASP A 52 4.833 -6.597 -8.465 1.00 0.00 C ATOM 769 CG ASP A 52 5.146 -6.036 -9.854 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.255 -6.787 -10.834 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.280 -4.755 -9.908 1.00 0.00 O ATOM 0 H ASP A 52 5.073 -6.148 -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 -6.657 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.460 -7.615 -8.576 1.00 0.00 H new ATOM 777 N PRO A 53 2.287 -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 -7.476 -6.479 1.00 0.00 O ATOM 781 CB PRO A 53 1.397 -8.996 -5.127 1.00 0.00 C ATOM 782 CG PRO A 53 2.577 -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 0.821 -8.637 -7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.538 -9.095 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.642 -9.997 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.256 -7.937 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.323 -9.133 -4.163 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 -6.093 -5.301 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 -1.259 -4.297 -6.206 1.00 0.00 C ATOM 794 O ILE A 54 -2.367 -3.779 -6.341 1.00 0.00 O ATOM 795 CB ILE A 54 -0.581 -4.338 -3.735 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 0.080 -3.015 -4.125 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.982 -2.645 -2.497 1.00 0.00 C ATOM 0 H ILE A 54 1.028 -5.847 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.865 -5.687 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 54 0.149 -4.905 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.695 -4.498 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.688 -4.703 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.331 -2.455 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.988 -3.216 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.608 -2.431 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.857 -2.522 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.097 -2.282 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.120 -2.074 -3.415 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 -8.282 1.00 0.00 C ATOM 812 C THR A 55 -1.432 -4.047 -9.218 1.00 0.00 C ATOM 813 O THR A 55 -2.369 -3.394 -9.680 1.00 0.00 O ATOM 814 CB THR A 55 0.968 -3.217 -8.913 1.00 0.00 C ATOM 815 OG1 THR A 55 1.411 -1.950 -8.438 1.00 0.00 O ATOM 816 CG2 THR A 55 0.902 -3.045 -10.431 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 -0.815 -2.398 -8.064 1.00 0.00 H new ATOM 0 HB THR A 55 1.586 -4.082 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.228 -1.265 -9.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.910 -2.927 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.437 -3.924 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.312 -2.161 -10.672 1.00 0.00 H new ATOM 824 N ALA A 56 -1.215 -5.329 -9.470 1.00 0.00 N ATOM 825 CA ALA A 56 -2.100 -6.080 -10.342 1.00 0.00 C ATOM 826 C ALA A 56 -3.417 -6.351 -9.613 1.00 0.00 C ATOM 827 O ALA A 56 -4.411 -6.723 -10.237 1.00 0.00 O ATOM 828 CB ALA A 56 -1.405 -7.368 -10.788 1.00 0.00 C ATOM 0 H ALA A 56 -0.438 -5.867 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.332 -5.507 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.069 -7.932 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.490 -7.120 -11.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.160 -7.971 -9.914 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 -6.374 -7.483 1.00 0.00 C ATOM 836 C ALA A 57 -5.640 -5.354 -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 -6.005 1.00 0.00 C ATOM 0 H ALA A 57 -2.559 -5.847 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.974 -7.368 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.062 -6.455 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.432 -7.053 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.765 -5.305 -5.791 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 -7.718 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 -7.831 -2.754 -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 -1.163 -7.981 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.372 -2.050 -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 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.611 -0.971 -7.277 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 -0.179 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.524 -1.639 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.133 -2.087 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.583 -3.057 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.039 -0.588 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.196 -1.938 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.743 -0.276 -9.576 1.00 0.00 H new ATOM 863 N SER A 59 -5.710 -3.426 -10.008 1.00 0.00 N ATOM 864 CA SER A 59 -5.892 -3.484 -11.447 1.00 0.00 C ATOM 865 C SER A 59 -6.979 -4.504 -11.797 1.00 0.00 C ATOM 866 O SER A 59 -7.744 -4.302 -12.738 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 -3.682 -9.686 1.00 0.00 H new ATOM 0 HA SER A 59 -6.202 -2.497 -11.791 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.897 -2.998 -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 -3.933 -4.408 -13.937 1.00 0.00 H new ATOM 874 N GLN A 60 -7.013 -5.575 -11.020 1.00 0.00 N ATOM 875 CA GLN A 60 -7.994 -6.626 -11.235 1.00 0.00 C ATOM 876 C GLN A 60 -9.401 -6.112 -10.921 1.00 0.00 C ATOM 877 O GLN A 60 -10.376 -6.559 -11.522 1.00 0.00 O ATOM 878 CB GLN A 60 -7.663 -7.863 -10.398 1.00 0.00 C ATOM 879 CG GLN A 60 -7.478 -9.094 -11.287 1.00 0.00 C ATOM 880 CD GLN A 60 -8.680 -9.287 -12.214 1.00 0.00 C ATOM 881 OE1 GLN A 60 -9.810 -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 -5.739 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.961 -6.918 -12.285 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.754 -7.685 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.463 -8.045 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.570 -8.985 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.348 -9.980 -10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.411 -10.086 -13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.111 -10.010 -14.073 1.00 0.00 H new ATOM 891 N ARG A 61 -9.458 -5.177 -9.983 1.00 0.00 N ATOM 892 CA ARG A 61 -10.730 -4.597 -9.584 1.00 0.00 C ATOM 893 C ARG A 61 -10.516 -3.199 -9.003 1.00 0.00 C ATOM 894 O ARG A 61 -10.817 -2.954 -7.837 1.00 0.00 O ATOM 895 CB ARG A 61 -11.432 -5.473 -8.543 1.00 0.00 C ATOM 896 CG ARG A 61 -12.027 -6.724 -9.191 1.00 0.00 C ATOM 897 CD ARG A 61 -12.868 -7.515 -8.187 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 -7.455 1.00 0.00 C ATOM 900 NH1 ARG A 61 -10.550 -8.436 -6.777 1.00 0.00 N ATOM 901 NH2 ARG A 61 -10.982 -10.605 -7.472 1.00 0.00 N ATOM 0 H ARG A 61 -8.646 -4.807 -9.489 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.359 -4.533 -10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.722 -5.763 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.221 -4.902 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.645 -6.438 -10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.226 -7.355 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.795 -7.058 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.919 -7.483 -8.476 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 -10.806 -7.449 -6.771 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 -11.557 -11.270 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.156 -10.929 -6.968 1.00 0.00 H new ATOM 913 N ALA A 62 -9.996 -2.317 -9.844 1.00 0.00 N ATOM 914 CA ALA A 62 -9.738 -0.948 -9.428 1.00 0.00 C ATOM 915 C ALA A 62 -11.067 -0.246 -9.148 1.00 0.00 C ATOM 916 O ALA A 62 -11.175 0.534 -8.203 1.00 0.00 O ATOM 917 CB ALA A 62 -8.917 -0.235 -10.505 1.00 0.00 C ATOM 0 H ALA A 62 -9.746 -2.523 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.155 -0.929 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.723 0.792 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.970 -0.757 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.472 -0.231 -11.443 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.082 4.421 -7.013 1.00 0.00 N ATOM 1041 CA LEU A 71 -7.720 3.952 -6.831 1.00 0.00 C ATOM 1042 C LEU A 71 -6.862 5.092 -6.275 1.00 0.00 C ATOM 1043 O LEU A 71 -5.641 5.084 -6.421 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.179 3.354 -8.132 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.580 1.951 -8.027 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.674 0.882 -8.090 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.504 1.734 -9.093 1.00 0.00 C ATOM 0 HA LEU A 71 -7.691 3.144 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.989 3.328 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.416 4.025 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.094 1.858 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.221 -0.107 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.372 1.027 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.209 0.964 -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 1059 N LYS A 72 -7.537 6.046 -5.650 1.00 0.00 N ATOM 1060 CA LYS A 72 -6.854 7.190 -5.073 1.00 0.00 C ATOM 1061 C LYS A 72 -5.965 6.720 -3.919 1.00 0.00 C ATOM 1062 O LYS A 72 -4.796 7.092 -3.839 1.00 0.00 O ATOM 1063 CB LYS A 72 -7.860 8.271 -4.672 1.00 0.00 C ATOM 1064 CG LYS A 72 -8.033 9.300 -5.790 1.00 0.00 C ATOM 1065 CD LYS A 72 -6.913 10.343 -5.753 1.00 0.00 C ATOM 1066 CE LYS A 72 -6.066 10.282 -7.028 1.00 0.00 C ATOM 1067 NZ LYS A 72 -5.696 11.647 -7.467 1.00 0.00 N ATOM 0 H LYS A 72 -8.550 6.049 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.201 7.654 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.822 7.811 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.521 8.769 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.034 8.796 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.999 9.795 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.342 11.339 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.280 10.172 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.166 9.695 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.622 9.777 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.122 11.590 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.558 12.196 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.147 12.116 -6.718 1.00 0.00 H new ATOM 1080 N THR A 73 -6.555 5.908 -3.054 1.00 0.00 N ATOM 1081 CA THR A 73 -5.833 5.382 -1.908 1.00 0.00 C ATOM 1082 C THR A 73 -4.642 4.538 -2.370 1.00 0.00 C ATOM 1083 O THR A 73 -3.531 4.701 -1.869 1.00 0.00 O ATOM 1084 CB THR A 73 -6.824 4.608 -1.038 1.00 0.00 C ATOM 1085 OG1 THR A 73 -8.017 5.386 -1.095 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.441 4.624 0.444 1.00 0.00 C ATOM 0 H THR A 73 -7.525 5.601 -3.124 1.00 0.00 H new ATOM 0 HA THR A 73 -5.409 6.185 -1.306 1.00 0.00 H new ATOM 0 HB THR A 73 -6.884 3.577 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.715 4.955 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.178 4.060 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.458 4.170 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.414 5.653 0.802 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.917 3.655 -3.319 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.881 2.787 -3.853 1.00 0.00 C ATOM 1096 C TRP A 74 -2.815 3.668 -4.507 1.00 0.00 C ATOM 1097 O TRP A 74 -1.625 3.510 -4.239 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.476 1.756 -4.814 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.461 1.161 -5.794 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.788 0.008 -5.687 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -3.031 1.743 -7.044 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.958 -0.195 -6.771 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.110 0.892 -7.621 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.408 2.947 -7.664 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.490 1.156 -8.848 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.778 3.195 -8.889 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.849 2.349 -9.485 1.00 0.00 C ATOM 0 H TRP A 74 -5.840 3.522 -3.731 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.412 2.209 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.922 0.948 -4.234 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.281 2.224 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.883 -0.677 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.345 -0.997 -6.920 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.126 3.626 -7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.772 0.475 -9.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.031 4.108 -9.408 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.407 2.611 -10.435 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.280 4.577 -5.351 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.381 5.483 -6.044 1.00 0.00 C ATOM 1120 C GLY A 75 -1.218 5.900 -5.141 1.00 0.00 C ATOM 1121 O GLY A 75 -0.056 5.772 -5.520 1.00 0.00 O ATOM 0 H GLY A 75 -4.268 4.705 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.994 5.001 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.929 6.367 -6.368 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.573 6.392 -3.963 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.575 6.829 -3.002 1.00 0.00 C ATOM 1127 C LEU A 76 0.191 5.611 -2.479 1.00 0.00 C ATOM 1128 O LEU A 76 1.398 5.682 -2.255 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.224 7.666 -1.899 1.00 0.00 C ATOM 1130 CG LEU A 76 -1.877 8.976 -2.347 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -3.331 9.052 -1.878 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -1.061 10.184 -1.881 1.00 0.00 C ATOM 0 H LEU A 76 -2.539 6.498 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 76 0.153 7.484 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.981 7.056 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.465 7.898 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.888 8.996 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.772 9.992 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.893 8.219 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.366 8.999 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.547 11.101 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.995 10.181 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.058 10.131 -2.305 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.543 4.523 -2.300 1.00 0.00 N ATOM 1145 CA VAL A 77 0.051 3.292 -1.809 1.00 0.00 C ATOM 1146 C VAL A 77 0.997 2.727 -2.871 1.00 0.00 C ATOM 1147 O VAL A 77 2.179 2.516 -2.606 1.00 0.00 O ATOM 1148 CB VAL A 77 -1.046 2.306 -1.400 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -1.415 1.384 -2.563 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -0.627 1.499 -0.169 1.00 0.00 C ATOM 0 H VAL A 77 -1.544 4.469 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 77 0.644 3.486 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.933 2.881 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.196 0.693 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.776 1.981 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.536 0.819 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.424 0.806 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.281 0.938 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.439 2.177 0.664 1.00 0.00 H new ATOM 1160 N LEU A 78 0.439 2.497 -4.052 1.00 0.00 N ATOM 1161 CA LEU A 78 1.217 1.961 -5.155 1.00 0.00 C ATOM 1162 C LEU A 78 2.187 3.031 -5.657 1.00 0.00 C ATOM 1163 O LEU A 78 3.393 2.798 -5.727 1.00 0.00 O ATOM 1164 CB LEU A 78 0.293 1.409 -6.243 1.00 0.00 C ATOM 1165 CG LEU A 78 0.774 0.141 -6.953 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.136 0.368 -7.615 1.00 0.00 C ATOM 1167 CD2 LEU A 78 0.796 -1.049 -5.992 1.00 0.00 C ATOM 0 H LEU A 78 -0.542 2.672 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 78 1.819 1.116 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.680 1.204 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.142 2.186 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 78 0.065 -0.098 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.456 -0.548 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.055 1.170 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.868 0.643 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.141 -1.937 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.471 -0.835 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.208 -1.224 -5.606 1.00 0.00 H new ATOM 1179 N GLY A 79 1.625 4.182 -5.994 1.00 0.00 N ATOM 1180 CA GLY A 79 2.425 5.291 -6.488 1.00 0.00 C ATOM 1181 C GLY A 79 3.741 5.403 -5.716 1.00 0.00 C ATOM 1182 O GLY A 79 4.754 5.830 -6.267 1.00 0.00 O ATOM 0 H GLY A 79 0.624 4.371 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.632 5.151 -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 1186 N ALA A 80 3.684 5.012 -4.451 1.00 0.00 N ATOM 1187 CA ALA A 80 4.860 5.063 -3.598 1.00 0.00 C ATOM 1188 C ALA A 80 5.867 4.009 -4.061 1.00 0.00 C ATOM 1189 O ALA A 80 7.051 4.303 -4.214 1.00 0.00 O ATOM 1190 CB ALA A 80 4.440 4.868 -2.140 1.00 0.00 C ATOM 0 H ALA A 80 2.842 4.659 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 80 5.346 6.036 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.321 4.906 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.747 5.659 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.952 3.900 -2.028 1.00 0.00 H new ATOM 1196 N LEU A 81 5.359 2.804 -4.270 1.00 0.00 N ATOM 1197 CA LEU A 81 6.199 1.704 -4.712 1.00 0.00 C ATOM 1198 C LEU A 81 6.953 2.120 -5.977 1.00 0.00 C ATOM 1199 O LEU A 81 8.153 1.876 -6.098 1.00 0.00 O ATOM 1200 CB LEU A 81 5.369 0.431 -4.884 1.00 0.00 C ATOM 1201 CG LEU A 81 6.139 -0.818 -5.325 1.00 0.00 C ATOM 1202 CD1 LEU A 81 6.837 -0.585 -6.667 1.00 0.00 C ATOM 1203 CD2 LEU A 81 7.118 -1.270 -4.241 1.00 0.00 C ATOM 0 H LEU A 81 4.376 2.565 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 81 6.948 1.470 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.874 0.213 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.586 0.628 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 81 5.424 -1.628 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.377 -1.486 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.093 -0.346 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.539 0.244 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.651 -2.158 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.833 -0.472 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.569 -1.503 -3.329 1.00 0.00 H new ATOM 1215 N LYS A 82 6.220 2.744 -6.887 1.00 0.00 N ATOM 1216 CA LYS A 82 6.804 3.197 -8.138 1.00 0.00 C ATOM 1217 C LYS A 82 7.746 4.370 -7.860 1.00 0.00 C ATOM 1218 O LYS A 82 8.651 4.643 -8.647 1.00 0.00 O ATOM 1219 CB LYS A 82 5.707 3.516 -9.157 1.00 0.00 C ATOM 1220 CG LYS A 82 5.379 2.291 -10.012 1.00 0.00 C ATOM 1221 CD LYS A 82 4.104 1.605 -9.518 1.00 0.00 C ATOM 1222 CE LYS A 82 4.352 0.120 -9.239 1.00 0.00 C ATOM 1223 NZ LYS A 82 5.415 -0.402 -10.126 1.00 0.00 N ATOM 0 H LYS A 82 5.226 2.947 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 82 7.404 2.406 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.810 3.852 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.029 4.336 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.255 2.592 -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 3.751 2.095 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.317 1.712 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.640 -0.017 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.432 -0.444 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.305 -1.431 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.343 0.052 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.346 -0.195 -9.711 1.00 0.00 H new ATOM 1236 N ALA A 83 7.500 5.031 -6.739 1.00 0.00 N ATOM 1237 CA ALA A 83 8.317 6.169 -6.348 1.00 0.00 C ATOM 1238 C ALA A 83 9.713 5.681 -5.964 1.00 0.00 C ATOM 1239 O ALA A 83 10.705 6.363 -6.219 1.00 0.00 O ATOM 1240 CB ALA A 83 7.627 6.921 -5.207 1.00 0.00 C ATOM 0 H ALA A 83 6.748 4.802 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 83 8.430 6.866 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.238 7.774 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.650 7.271 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.501 6.253 -4.355 1.00 0.00 H new ATOM 1246 N ALA A 84 9.749 4.503 -5.357 1.00 0.00 N ATOM 1247 CA ALA A 84 11.010 3.915 -4.937 1.00 0.00 C ATOM 1248 C ALA A 84 11.858 3.599 -6.170 1.00 0.00 C ATOM 1249 O ALA A 84 13.016 4.007 -6.253 1.00 0.00 O ATOM 1250 CB ALA A 84 10.735 2.674 -4.085 1.00 0.00 C ATOM 0 H ALA A 84 8.925 3.940 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 84 11.574 4.616 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.680 2.232 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.156 2.957 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.173 1.947 -4.671 1.00 0.00 H new ATOM 1256 N ARG A 85 11.249 2.876 -7.098 1.00 0.00 N ATOM 1257 CA ARG A 85 11.933 2.501 -8.324 1.00 0.00 C ATOM 1258 C ARG A 85 12.256 3.746 -9.154 1.00 0.00 C ATOM 1259 O ARG A 85 13.113 3.702 -10.034 1.00 0.00 O ATOM 1260 CB ARG A 85 11.081 1.545 -9.160 1.00 0.00 C ATOM 1261 CG ARG A 85 11.861 0.277 -9.511 1.00 0.00 C ATOM 1262 CD ARG A 85 11.509 -0.865 -8.556 1.00 0.00 C ATOM 1263 NE ARG A 85 10.512 -1.760 -9.184 1.00 0.00 N ATOM 1264 CZ ARG A 85 9.693 -2.582 -8.493 1.00 0.00 C ATOM 1265 NH1 ARG A 85 9.745 -2.628 -7.146 1.00 0.00 N ATOM 1266 NH2 ARG A 85 8.839 -3.340 -9.157 1.00 0.00 N ATOM 0 H ARG A 85 10.289 2.540 -7.026 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 10.179 1.280 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.761 2.044 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.638 -0.019 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.931 0.479 -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 10.439 -1.756 -10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.407 -2.039 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.122 -3.252 -6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.806 -3.299 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.213 -3.967 -8.651 1.00 0.00 H new ATOM 1278 N GLU A 86 11.551 4.823 -8.844 1.00 0.00 N ATOM 1279 CA GLU A 86 11.752 6.077 -9.550 1.00 0.00 C ATOM 1280 C GLU A 86 13.049 6.745 -9.088 1.00 0.00 C ATOM 1281 O GLU A 86 13.988 6.891 -9.868 1.00 0.00 O ATOM 1282 CB GLU A 86 10.556 7.012 -9.360 1.00 0.00 C ATOM 1283 CG GLU A 86 9.787 7.194 -10.669 1.00 0.00 C ATOM 1284 CD GLU A 86 9.462 8.669 -10.914 1.00 0.00 C ATOM 1285 OE1 GLU A 86 8.512 9.201 -10.321 1.00 0.00 O ATOM 1286 OE2 GLU A 86 10.237 9.267 -11.753 1.00 0.00 O ATOM 0 H GLU A 86 10.840 4.854 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 86 11.837 5.861 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.891 6.607 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.901 7.981 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.377 6.805 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.864 6.615 -10.636 1.00 0.00 H new ATOM 1294 N GLU A 87 13.059 7.132 -7.821 1.00 0.00 N ATOM 1295 CA GLU A 87 14.224 7.781 -7.246 1.00 0.00 C ATOM 1296 C GLU A 87 15.013 6.789 -6.385 1.00 0.00 C ATOM 1297 O GLU A 87 14.846 5.579 -6.517 1.00 0.00 O ATOM 1298 CB GLU A 87 13.822 9.013 -6.433 1.00 0.00 C ATOM 1299 CG GLU A 87 14.485 10.275 -6.989 1.00 0.00 C ATOM 1300 CD GLU A 87 15.038 11.145 -5.858 1.00 0.00 C ATOM 1301 OE1 GLU A 87 14.326 12.018 -5.342 1.00 0.00 O ATOM 1302 OE2 GLU A 87 16.256 10.890 -5.519 1.00 0.00 O ATOM 0 H GLU A 87 12.278 7.008 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 87 14.866 8.118 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.738 9.128 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.110 8.875 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.292 9.998 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.761 10.845 -7.571 1.00 0.00 H new