USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 13 SER OG : rot 126:sc= 0.0142 USER MOD Set 1.2: A 75 THR OG1 : rot -170:sc= 0.0981 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.704 K(o=1.9,f=-0.51) USER MOD Set 2.2: A 65 TYR OH : rot 102:sc= 1.19 USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0.381 USER MOD Set 3.2: A 67 SER OG : rot 69:sc= -2.01! USER MOD Single : A 12 MET CE :methyl -136:sc=-0.00303 (180deg=-0.191) USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0466) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.26) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.123) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.13) USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0225) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 43:sc= 0.498 USER MOD Single : A 82 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 85.040 -0.950 -19.345 1.00 0.00 N ATOM 2 CA GLU A 8 84.365 0.100 -20.179 1.00 0.00 C ATOM 3 C GLU A 8 82.871 0.156 -19.844 1.00 0.00 C ATOM 4 O GLU A 8 82.272 1.217 -19.851 1.00 0.00 O ATOM 5 CB GLU A 8 84.572 -0.328 -21.636 1.00 0.00 C ATOM 6 CG GLU A 8 84.130 0.802 -22.570 1.00 0.00 C ATOM 7 CD GLU A 8 84.227 0.333 -24.024 1.00 0.00 C ATOM 8 OE1 GLU A 8 83.791 -0.772 -24.301 1.00 0.00 O ATOM 9 OE2 GLU A 8 84.737 1.088 -24.835 1.00 0.00 O ATOM 0 HA GLU A 8 84.776 1.092 -19.993 1.00 0.00 H new ATOM 0 HB2 GLU A 8 85.621 -0.568 -21.810 1.00 0.00 H new ATOM 0 HB3 GLU A 8 83.999 -1.232 -21.845 1.00 0.00 H new ATOM 0 HG2 GLU A 8 83.106 1.098 -22.340 1.00 0.00 H new ATOM 0 HG3 GLU A 8 84.758 1.680 -22.418 1.00 0.00 H new ATOM 16 N GLY A 9 82.277 -0.981 -19.553 1.00 0.00 N ATOM 17 CA GLY A 9 80.823 -1.023 -19.209 1.00 0.00 C ATOM 18 C GLY A 9 80.632 -0.623 -17.744 1.00 0.00 C ATOM 19 O GLY A 9 81.574 -0.625 -16.970 1.00 0.00 O ATOM 0 H GLY A 9 82.745 -1.887 -19.540 1.00 0.00 H new ATOM 0 HA2 GLY A 9 80.266 -0.347 -19.857 1.00 0.00 H new ATOM 0 HA3 GLY A 9 80.427 -2.025 -19.378 1.00 0.00 H new ATOM 23 N VAL A 10 79.419 -0.283 -17.366 1.00 0.00 N ATOM 24 CA VAL A 10 79.135 0.129 -15.953 1.00 0.00 C ATOM 25 C VAL A 10 77.719 -0.325 -15.572 1.00 0.00 C ATOM 26 O VAL A 10 76.786 -0.167 -16.340 1.00 0.00 O ATOM 27 CB VAL A 10 79.252 1.668 -15.928 1.00 0.00 C ATOM 28 CG1 VAL A 10 78.990 2.198 -14.512 1.00 0.00 C ATOM 29 CG2 VAL A 10 80.661 2.102 -16.350 1.00 0.00 C ATOM 0 H VAL A 10 78.607 -0.274 -17.983 1.00 0.00 H new ATOM 0 HA VAL A 10 79.826 -0.320 -15.240 1.00 0.00 H new ATOM 0 HB VAL A 10 78.514 2.073 -16.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 79.076 3.285 -14.509 1.00 0.00 H new ATOM 0 HG12 VAL A 10 77.987 1.912 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 10 79.721 1.774 -13.824 1.00 0.00 H new ATOM 0 HG21 VAL A 10 80.729 3.190 -16.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 81.393 1.679 -15.663 1.00 0.00 H new ATOM 0 HG23 VAL A 10 80.864 1.747 -17.360 1.00 0.00 H new ATOM 39 N ILE A 11 77.565 -0.887 -14.393 1.00 0.00 N ATOM 40 CA ILE A 11 76.214 -1.330 -13.919 1.00 0.00 C ATOM 41 C ILE A 11 75.804 -0.488 -12.701 1.00 0.00 C ATOM 42 O ILE A 11 76.417 -0.577 -11.650 1.00 0.00 O ATOM 43 CB ILE A 11 76.373 -2.819 -13.542 1.00 0.00 C ATOM 44 CG1 ILE A 11 76.801 -3.630 -14.774 1.00 0.00 C ATOM 45 CG2 ILE A 11 75.043 -3.383 -13.025 1.00 0.00 C ATOM 46 CD1 ILE A 11 77.292 -5.011 -14.333 1.00 0.00 C ATOM 0 H ILE A 11 78.325 -1.058 -13.735 1.00 0.00 H new ATOM 0 HA ILE A 11 75.440 -1.203 -14.676 1.00 0.00 H new ATOM 0 HB ILE A 11 77.132 -2.894 -12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.963 -3.734 -15.463 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.592 -3.106 -15.311 1.00 0.00 H new ATOM 0 HG21 ILE A 11 75.170 -4.433 -12.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 74.729 -2.825 -12.143 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.283 -3.292 -13.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 77.595 -5.586 -15.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.142 -4.897 -13.661 1.00 0.00 H new ATOM 0 HD13 ILE A 11 76.488 -5.535 -13.816 1.00 0.00 H new ATOM 58 N MET A 12 74.777 0.319 -12.846 1.00 0.00 N ATOM 59 CA MET A 12 74.270 1.127 -11.690 1.00 0.00 C ATOM 60 C MET A 12 73.232 0.327 -10.884 1.00 0.00 C ATOM 61 O MET A 12 72.177 -0.021 -11.387 1.00 0.00 O ATOM 62 CB MET A 12 73.674 2.414 -12.303 1.00 0.00 C ATOM 63 CG MET A 12 72.420 2.129 -13.150 1.00 0.00 C ATOM 64 SD MET A 12 72.132 3.507 -14.290 1.00 0.00 S ATOM 65 CE MET A 12 73.326 3.010 -15.555 1.00 0.00 C ATOM 0 H MET A 12 74.267 0.452 -13.719 1.00 0.00 H new ATOM 0 HA MET A 12 75.062 1.375 -10.983 1.00 0.00 H new ATOM 0 HB2 MET A 12 73.420 3.111 -11.504 1.00 0.00 H new ATOM 0 HB3 MET A 12 74.426 2.901 -12.923 1.00 0.00 H new ATOM 0 HG2 MET A 12 72.549 1.202 -13.709 1.00 0.00 H new ATOM 0 HG3 MET A 12 71.554 1.993 -12.502 1.00 0.00 H new ATOM 0 HE1 MET A 12 73.893 3.881 -15.883 1.00 0.00 H new ATOM 0 HE2 MET A 12 74.008 2.268 -15.140 1.00 0.00 H new ATOM 0 HE3 MET A 12 72.797 2.580 -16.406 1.00 0.00 H new ATOM 75 N SER A 13 73.538 0.034 -9.640 1.00 0.00 N ATOM 76 CA SER A 13 72.544 -0.622 -8.733 1.00 0.00 C ATOM 77 C SER A 13 72.364 0.204 -7.458 1.00 0.00 C ATOM 78 O SER A 13 73.319 0.742 -6.924 1.00 0.00 O ATOM 79 CB SER A 13 73.139 -1.991 -8.404 1.00 0.00 C ATOM 80 OG SER A 13 74.500 -1.837 -8.024 1.00 0.00 O ATOM 0 H SER A 13 74.444 0.224 -9.212 1.00 0.00 H new ATOM 0 HA SER A 13 71.562 -0.709 -9.198 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.576 -2.460 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.064 -2.649 -9.269 1.00 0.00 H new ATOM 0 HG SER A 13 74.646 -2.259 -7.152 1.00 0.00 H new ATOM 86 N GLU A 14 71.146 0.300 -6.973 1.00 0.00 N ATOM 87 CA GLU A 14 70.861 1.153 -5.778 1.00 0.00 C ATOM 88 C GLU A 14 69.621 0.648 -5.035 1.00 0.00 C ATOM 89 O GLU A 14 68.693 0.138 -5.641 1.00 0.00 O ATOM 90 CB GLU A 14 70.611 2.550 -6.348 1.00 0.00 C ATOM 91 CG GLU A 14 70.796 3.595 -5.244 1.00 0.00 C ATOM 92 CD GLU A 14 70.963 4.980 -5.872 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.207 5.297 -6.775 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.847 5.701 -5.438 1.00 0.00 O ATOM 0 H GLU A 14 70.333 -0.181 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 14 71.680 1.139 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.300 2.748 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.602 2.612 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.935 3.589 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.670 3.350 -4.640 1.00 0.00 H new ATOM 101 N LEU A 15 69.609 0.787 -3.728 1.00 0.00 N ATOM 102 CA LEU A 15 68.396 0.440 -2.924 1.00 0.00 C ATOM 103 C LEU A 15 67.927 1.656 -2.119 1.00 0.00 C ATOM 104 O LEU A 15 68.712 2.293 -1.436 1.00 0.00 O ATOM 105 CB LEU A 15 68.850 -0.681 -1.988 1.00 0.00 C ATOM 106 CG LEU A 15 67.634 -1.286 -1.284 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.839 -2.134 -2.279 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.103 -2.168 -0.125 1.00 0.00 C ATOM 0 H LEU A 15 70.398 1.130 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 15 67.559 0.134 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.375 -1.450 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.553 -0.291 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 15 67.001 -0.486 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.972 -2.566 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.505 -1.507 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.472 -2.934 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.237 -2.600 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.736 -2.968 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.671 -1.566 0.584 1.00 0.00 H new ATOM 120 N LYS A 16 66.655 1.976 -2.203 1.00 0.00 N ATOM 121 CA LYS A 16 66.083 3.087 -1.379 1.00 0.00 C ATOM 122 C LYS A 16 65.318 2.513 -0.186 1.00 0.00 C ATOM 123 O LYS A 16 64.345 1.799 -0.356 1.00 0.00 O ATOM 124 CB LYS A 16 65.134 3.835 -2.324 1.00 0.00 C ATOM 125 CG LYS A 16 65.889 4.953 -3.052 1.00 0.00 C ATOM 126 CD LYS A 16 66.898 4.347 -4.030 1.00 0.00 C ATOM 127 CE LYS A 16 67.530 5.460 -4.868 1.00 0.00 C ATOM 128 NZ LYS A 16 66.569 5.696 -5.981 1.00 0.00 N ATOM 0 H LYS A 16 65.984 1.509 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 16 66.853 3.745 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.708 3.141 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.302 4.255 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.186 5.589 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.404 5.586 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.670 3.806 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.402 3.625 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.679 6.363 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.508 5.162 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.536 6.712 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.877 5.169 -6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.622 5.372 -5.697 1.00 0.00 H new ATOM 142 N LEU A 17 65.758 2.828 1.012 1.00 0.00 N ATOM 143 CA LEU A 17 65.109 2.278 2.244 1.00 0.00 C ATOM 144 C LEU A 17 64.486 3.407 3.069 1.00 0.00 C ATOM 145 O LEU A 17 64.932 4.539 3.012 1.00 0.00 O ATOM 146 CB LEU A 17 66.243 1.614 3.029 1.00 0.00 C ATOM 147 CG LEU A 17 66.757 0.393 2.262 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.136 0.002 2.795 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.787 -0.776 2.453 1.00 0.00 C ATOM 0 H LEU A 17 66.547 3.449 1.188 1.00 0.00 H new ATOM 0 HA LEU A 17 64.308 1.578 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.054 2.325 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.888 1.313 4.015 1.00 0.00 H new ATOM 0 HG LEU A 17 66.831 0.634 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.504 -0.867 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.827 0.834 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.061 -0.239 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.153 -1.645 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.713 -1.018 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.803 -0.498 2.075 1.00 0.00 H new ATOM 161 N LYS A 18 63.459 3.099 3.830 1.00 0.00 N ATOM 162 CA LYS A 18 62.852 4.109 4.753 1.00 0.00 C ATOM 163 C LYS A 18 62.712 3.513 6.169 1.00 0.00 C ATOM 164 O LYS A 18 62.169 2.430 6.302 1.00 0.00 O ATOM 165 CB LYS A 18 61.473 4.401 4.159 1.00 0.00 C ATOM 166 CG LYS A 18 60.830 5.575 4.901 1.00 0.00 C ATOM 167 CD LYS A 18 59.444 5.851 4.314 1.00 0.00 C ATOM 168 CE LYS A 18 58.998 7.263 4.699 1.00 0.00 C ATOM 169 NZ LYS A 18 57.550 7.315 4.353 1.00 0.00 N ATOM 0 H LYS A 18 63.013 2.182 3.849 1.00 0.00 H new ATOM 0 HA LYS A 18 63.459 5.010 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.565 4.635 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.839 3.518 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.748 5.347 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.457 6.462 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.470 5.750 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.728 5.118 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 59.158 7.452 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.562 8.018 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.170 8.254 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.430 7.138 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.038 6.589 4.894 1.00 0.00 H new ATOM 183 N PRO A 19 63.198 4.215 7.189 1.00 0.00 N ATOM 184 CA PRO A 19 62.973 3.757 8.590 1.00 0.00 C ATOM 185 C PRO A 19 61.521 4.013 9.004 1.00 0.00 C ATOM 186 O PRO A 19 60.958 5.046 8.687 1.00 0.00 O ATOM 187 CB PRO A 19 63.934 4.612 9.414 1.00 0.00 C ATOM 188 CG PRO A 19 64.143 5.848 8.605 1.00 0.00 C ATOM 189 CD PRO A 19 63.990 5.463 7.158 1.00 0.00 C ATOM 0 HA PRO A 19 63.147 2.689 8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.514 4.847 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.875 4.091 9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.417 6.614 8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 19 65.133 6.266 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.480 6.243 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.959 5.306 6.684 1.00 0.00 H new ATOM 197 N LEU A 20 60.921 3.078 9.706 1.00 0.00 N ATOM 198 CA LEU A 20 59.510 3.262 10.186 1.00 0.00 C ATOM 199 C LEU A 20 59.398 4.159 11.458 1.00 0.00 C ATOM 200 O LEU A 20 58.567 5.050 11.430 1.00 0.00 O ATOM 201 CB LEU A 20 58.931 1.852 10.395 1.00 0.00 C ATOM 202 CG LEU A 20 58.710 1.186 9.034 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.667 -0.333 9.209 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.385 1.670 8.439 1.00 0.00 C ATOM 0 H LEU A 20 61.350 2.191 9.969 1.00 0.00 H new ATOM 0 HA LEU A 20 58.931 3.809 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.612 1.253 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.989 1.911 10.941 1.00 0.00 H new ATOM 0 HG LEU A 20 59.528 1.450 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.510 -0.807 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.611 -0.677 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.850 -0.599 9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.227 1.196 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.567 1.406 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.416 2.752 8.313 1.00 0.00 H new ATOM 216 N PRO A 21 60.181 3.956 12.539 1.00 0.00 N ATOM 217 CA PRO A 21 60.224 5.001 13.610 1.00 0.00 C ATOM 218 C PRO A 21 60.924 6.262 13.093 1.00 0.00 C ATOM 219 O PRO A 21 61.771 6.188 12.219 1.00 0.00 O ATOM 220 CB PRO A 21 61.028 4.356 14.741 1.00 0.00 C ATOM 221 CG PRO A 21 61.847 3.304 14.078 1.00 0.00 C ATOM 222 CD PRO A 21 61.046 2.809 12.908 1.00 0.00 C ATOM 0 HA PRO A 21 59.231 5.310 13.937 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.659 5.089 15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.371 3.927 15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.804 3.709 13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 21 62.066 2.490 14.770 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.692 2.516 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.453 1.934 13.174 1.00 0.00 H new ATOM 230 N LYS A 22 60.571 7.410 13.630 1.00 0.00 N ATOM 231 CA LYS A 22 61.208 8.692 13.186 1.00 0.00 C ATOM 232 C LYS A 22 62.520 8.920 13.942 1.00 0.00 C ATOM 233 O LYS A 22 62.518 9.383 15.069 1.00 0.00 O ATOM 234 CB LYS A 22 60.197 9.793 13.527 1.00 0.00 C ATOM 235 CG LYS A 22 60.642 11.112 12.892 1.00 0.00 C ATOM 236 CD LYS A 22 59.685 12.230 13.314 1.00 0.00 C ATOM 237 CE LYS A 22 60.084 13.534 12.620 1.00 0.00 C ATOM 238 NZ LYS A 22 58.834 14.341 12.572 1.00 0.00 N ATOM 0 H LYS A 22 59.866 7.512 14.360 1.00 0.00 H new ATOM 0 HA LYS A 22 61.447 8.680 12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.207 9.518 13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.118 9.906 14.608 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.659 11.353 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.654 11.019 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.661 11.965 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.714 12.358 14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.868 14.052 13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.471 13.346 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.027 15.252 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.109 13.826 12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.492 14.510 13.540 1.00 0.00 H new ATOM 252 N VAL A 23 63.635 8.596 13.323 1.00 0.00 N ATOM 253 CA VAL A 23 64.966 8.807 13.972 1.00 0.00 C ATOM 254 C VAL A 23 66.018 9.176 12.912 1.00 0.00 C ATOM 255 O VAL A 23 65.993 8.664 11.806 1.00 0.00 O ATOM 256 CB VAL A 23 65.288 7.470 14.675 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.397 6.322 13.661 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.607 7.593 15.445 1.00 0.00 C ATOM 0 H VAL A 23 63.676 8.191 12.388 1.00 0.00 H new ATOM 0 HA VAL A 23 64.963 9.629 14.688 1.00 0.00 H new ATOM 0 HB VAL A 23 64.474 7.247 15.365 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.624 5.394 14.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.452 6.216 13.129 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.192 6.540 12.948 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.829 6.647 15.939 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.412 7.838 14.752 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.520 8.381 16.193 1.00 0.00 H new ATOM 268 N GLU A 24 66.932 10.058 13.253 1.00 0.00 N ATOM 269 CA GLU A 24 68.024 10.440 12.305 1.00 0.00 C ATOM 270 C GLU A 24 69.300 9.659 12.632 1.00 0.00 C ATOM 271 O GLU A 24 69.876 9.824 13.695 1.00 0.00 O ATOM 272 CB GLU A 24 68.238 11.938 12.531 1.00 0.00 C ATOM 273 CG GLU A 24 69.173 12.492 11.454 1.00 0.00 C ATOM 274 CD GLU A 24 69.492 13.958 11.755 1.00 0.00 C ATOM 275 OE1 GLU A 24 69.778 14.259 12.902 1.00 0.00 O ATOM 276 OE2 GLU A 24 69.447 14.755 10.832 1.00 0.00 O ATOM 0 H GLU A 24 66.965 10.532 14.156 1.00 0.00 H new ATOM 0 HA GLU A 24 67.771 10.217 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.282 12.461 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.664 12.110 13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 24 70.093 11.908 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.706 12.405 10.473 1.00 0.00 H new ATOM 283 N LEU A 25 69.739 8.816 11.724 1.00 0.00 N ATOM 284 CA LEU A 25 70.945 7.967 11.982 1.00 0.00 C ATOM 285 C LEU A 25 72.211 8.653 11.431 1.00 0.00 C ATOM 286 O LEU A 25 72.177 9.154 10.322 1.00 0.00 O ATOM 287 CB LEU A 25 70.681 6.659 11.229 1.00 0.00 C ATOM 288 CG LEU A 25 69.523 5.911 11.890 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.057 4.779 10.973 1.00 0.00 C ATOM 290 CD2 LEU A 25 69.989 5.325 13.225 1.00 0.00 C ATOM 0 H LEU A 25 69.309 8.680 10.809 1.00 0.00 H new ATOM 0 HA LEU A 25 71.108 7.802 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.443 6.870 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.577 6.038 11.232 1.00 0.00 H new ATOM 0 HG LEU A 25 68.698 6.602 12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.231 4.246 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.725 5.195 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.882 4.089 10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.163 4.792 13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.815 4.635 13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.321 6.131 13.880 1.00 0.00 H new ATOM 302 N PRO A 26 73.295 8.667 12.202 1.00 0.00 N ATOM 303 CA PRO A 26 74.602 9.178 11.676 1.00 0.00 C ATOM 304 C PRO A 26 75.077 8.352 10.461 1.00 0.00 C ATOM 305 O PRO A 26 74.560 7.276 10.226 1.00 0.00 O ATOM 306 CB PRO A 26 75.564 9.009 12.857 1.00 0.00 C ATOM 307 CG PRO A 26 74.683 8.937 14.057 1.00 0.00 C ATOM 308 CD PRO A 26 73.430 8.243 13.610 1.00 0.00 C ATOM 0 HA PRO A 26 74.536 10.208 11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.164 8.105 12.752 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.258 9.847 12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.167 8.387 14.864 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.462 9.934 14.439 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.516 7.160 13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.568 8.544 14.206 1.00 0.00 H new ATOM 316 N PRO A 27 76.049 8.874 9.722 1.00 0.00 N ATOM 317 CA PRO A 27 76.489 8.213 8.454 1.00 0.00 C ATOM 318 C PRO A 27 77.080 6.813 8.695 1.00 0.00 C ATOM 319 O PRO A 27 77.186 6.030 7.767 1.00 0.00 O ATOM 320 CB PRO A 27 77.560 9.162 7.900 1.00 0.00 C ATOM 321 CG PRO A 27 77.316 10.460 8.594 1.00 0.00 C ATOM 322 CD PRO A 27 76.824 10.106 9.964 1.00 0.00 C ATOM 0 HA PRO A 27 75.654 8.054 7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.563 8.788 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.472 9.269 6.819 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.230 11.052 8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 27 76.580 11.058 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.647 9.937 10.659 1.00 0.00 H new ATOM 0 HD3 PRO A 27 76.206 10.897 10.389 1.00 0.00 H new ATOM 330 N ASP A 28 77.459 6.490 9.915 1.00 0.00 N ATOM 331 CA ASP A 28 78.152 5.182 10.176 1.00 0.00 C ATOM 332 C ASP A 28 77.160 4.011 10.081 1.00 0.00 C ATOM 333 O ASP A 28 77.548 2.896 9.775 1.00 0.00 O ATOM 334 CB ASP A 28 78.771 5.283 11.584 1.00 0.00 C ATOM 335 CG ASP A 28 77.693 5.548 12.644 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.808 4.719 12.782 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.773 6.575 13.297 1.00 0.00 O ATOM 0 H ASP A 28 77.318 7.075 10.739 1.00 0.00 H new ATOM 0 HA ASP A 28 78.925 4.991 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.298 4.359 11.820 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.509 6.085 11.603 1.00 0.00 H new ATOM 342 N PHE A 29 75.886 4.255 10.329 1.00 0.00 N ATOM 343 CA PHE A 29 74.859 3.154 10.246 1.00 0.00 C ATOM 344 C PHE A 29 74.826 2.540 8.842 1.00 0.00 C ATOM 345 O PHE A 29 74.969 1.345 8.682 1.00 0.00 O ATOM 346 CB PHE A 29 73.511 3.813 10.565 1.00 0.00 C ATOM 347 CG PHE A 29 73.162 3.774 12.034 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.723 4.738 12.928 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.274 2.770 12.531 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.395 4.698 14.319 1.00 0.00 C ATOM 351 CE2 PHE A 29 71.946 2.730 13.922 1.00 0.00 C ATOM 352 CZ PHE A 29 72.506 3.694 14.815 1.00 0.00 C ATOM 0 H PHE A 29 75.514 5.169 10.585 1.00 0.00 H new ATOM 0 HA PHE A 29 75.092 2.347 10.940 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.533 4.850 10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.726 3.312 9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.394 5.496 12.553 1.00 0.00 H new ATOM 0 HD2 PHE A 29 71.851 2.041 11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.819 5.426 14.995 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.275 1.971 14.297 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.258 3.664 15.866 1.00 0.00 H new ATOM 362 N VAL A 30 74.650 3.362 7.830 1.00 0.00 N ATOM 363 CA VAL A 30 74.425 2.851 6.425 1.00 0.00 C ATOM 364 C VAL A 30 75.564 1.900 6.002 1.00 0.00 C ATOM 365 O VAL A 30 75.323 0.874 5.391 1.00 0.00 O ATOM 366 CB VAL A 30 74.390 4.123 5.550 1.00 0.00 C ATOM 367 CG1 VAL A 30 74.336 3.777 4.056 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.153 4.948 5.913 1.00 0.00 C ATOM 0 H VAL A 30 74.652 4.379 7.914 1.00 0.00 H new ATOM 0 HA VAL A 30 73.507 2.272 6.331 1.00 0.00 H new ATOM 0 HB VAL A 30 75.302 4.690 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 30 74.312 4.696 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.218 3.196 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 30 73.439 3.192 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.123 5.848 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 30 72.255 4.356 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.199 5.229 6.965 1.00 0.00 H new ATOM 378 N ASP A 31 76.788 2.244 6.330 1.00 0.00 N ATOM 379 CA ASP A 31 77.952 1.343 6.021 1.00 0.00 C ATOM 380 C ASP A 31 77.836 0.023 6.798 1.00 0.00 C ATOM 381 O ASP A 31 78.126 -1.034 6.267 1.00 0.00 O ATOM 382 CB ASP A 31 79.208 2.108 6.454 1.00 0.00 C ATOM 383 CG ASP A 31 79.378 3.352 5.579 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.229 3.232 4.375 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.657 4.405 6.130 1.00 0.00 O ATOM 0 H ASP A 31 77.034 3.114 6.801 1.00 0.00 H new ATOM 0 HA ASP A 31 77.984 1.088 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.127 2.396 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.085 1.467 6.366 1.00 0.00 H new ATOM 390 N VAL A 32 77.409 0.084 8.040 1.00 0.00 N ATOM 391 CA VAL A 32 77.302 -1.164 8.875 1.00 0.00 C ATOM 392 C VAL A 32 76.160 -2.042 8.336 1.00 0.00 C ATOM 393 O VAL A 32 76.292 -3.251 8.252 1.00 0.00 O ATOM 394 CB VAL A 32 77.023 -0.696 10.321 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.892 -1.904 11.258 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.178 0.180 10.822 1.00 0.00 C ATOM 0 H VAL A 32 77.129 0.943 8.513 1.00 0.00 H new ATOM 0 HA VAL A 32 78.212 -1.763 8.842 1.00 0.00 H new ATOM 0 HB VAL A 32 76.093 -0.127 10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.696 -1.558 12.273 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.069 -2.536 10.924 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.819 -2.478 11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 32 77.972 0.505 11.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.104 -0.394 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.279 1.053 10.177 1.00 0.00 H new ATOM 406 N ILE A 33 75.050 -1.437 7.969 1.00 0.00 N ATOM 407 CA ILE A 33 73.890 -2.217 7.400 1.00 0.00 C ATOM 408 C ILE A 33 74.310 -2.896 6.082 1.00 0.00 C ATOM 409 O ILE A 33 74.002 -4.051 5.853 1.00 0.00 O ATOM 410 CB ILE A 33 72.761 -1.181 7.171 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.339 -0.532 8.510 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.535 -1.838 6.516 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.827 -1.579 9.515 1.00 0.00 C ATOM 0 H ILE A 33 74.894 -0.431 8.038 1.00 0.00 H new ATOM 0 HA ILE A 33 73.557 -3.011 8.068 1.00 0.00 H new ATOM 0 HB ILE A 33 73.149 -0.412 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.188 -0.000 8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.559 0.207 8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.757 -1.089 6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.820 -2.262 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.157 -2.629 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.541 -1.083 10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.962 -2.093 9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.615 -2.303 9.719 1.00 0.00 H new ATOM 425 N ARG A 34 75.009 -2.181 5.227 1.00 0.00 N ATOM 426 CA ARG A 34 75.453 -2.761 3.909 1.00 0.00 C ATOM 427 C ARG A 34 76.362 -3.981 4.123 1.00 0.00 C ATOM 428 O ARG A 34 76.230 -4.981 3.441 1.00 0.00 O ATOM 429 CB ARG A 34 76.227 -1.644 3.197 1.00 0.00 C ATOM 430 CG ARG A 34 76.487 -2.046 1.744 1.00 0.00 C ATOM 431 CD ARG A 34 77.124 -0.869 0.994 1.00 0.00 C ATOM 432 NE ARG A 34 78.494 -0.701 1.586 1.00 0.00 N ATOM 433 CZ ARG A 34 79.161 0.440 1.511 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.683 1.503 0.902 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.343 0.510 2.058 1.00 0.00 N ATOM 0 H ARG A 34 75.294 -1.214 5.385 1.00 0.00 H new ATOM 0 HA ARG A 34 74.599 -3.101 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.659 -0.715 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.172 -1.459 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.146 -2.914 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.553 -2.335 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.182 -1.072 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.532 0.038 1.114 1.00 0.00 H new ATOM 0 HE ARG A 34 78.925 -1.493 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.763 1.469 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.232 2.362 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.735 -0.304 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.875 1.379 2.013 1.00 0.00 H new ATOM 449 N ILE A 35 77.275 -3.899 5.067 1.00 0.00 N ATOM 450 CA ILE A 35 78.235 -5.034 5.318 1.00 0.00 C ATOM 451 C ILE A 35 77.468 -6.269 5.825 1.00 0.00 C ATOM 452 O ILE A 35 77.741 -7.381 5.410 1.00 0.00 O ATOM 453 CB ILE A 35 79.235 -4.516 6.376 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.008 -3.318 5.814 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.241 -5.611 6.753 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.607 -2.510 6.966 1.00 0.00 C ATOM 0 H ILE A 35 77.399 -3.092 5.678 1.00 0.00 H new ATOM 0 HA ILE A 35 78.757 -5.340 4.411 1.00 0.00 H new ATOM 0 HB ILE A 35 78.671 -4.222 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.799 -3.662 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.344 -2.689 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.936 -5.225 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.708 -6.469 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.795 -5.918 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.157 -1.658 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.807 -2.153 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.285 -3.142 7.540 1.00 0.00 H new ATOM 468 N LYS A 36 76.526 -6.070 6.718 1.00 0.00 N ATOM 469 CA LYS A 36 75.725 -7.223 7.257 1.00 0.00 C ATOM 470 C LYS A 36 74.846 -7.839 6.162 1.00 0.00 C ATOM 471 O LYS A 36 74.752 -9.049 6.047 1.00 0.00 O ATOM 472 CB LYS A 36 74.850 -6.642 8.373 1.00 0.00 C ATOM 473 CG LYS A 36 75.736 -6.171 9.527 1.00 0.00 C ATOM 474 CD LYS A 36 74.857 -5.702 10.688 1.00 0.00 C ATOM 475 CE LYS A 36 75.742 -5.140 11.803 1.00 0.00 C ATOM 476 NZ LYS A 36 74.798 -4.478 12.746 1.00 0.00 N ATOM 0 H LYS A 36 76.275 -5.158 7.099 1.00 0.00 H new ATOM 0 HA LYS A 36 76.377 -8.016 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.261 -5.809 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.146 -7.395 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.387 -6.982 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.382 -5.358 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.158 -4.939 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 36 74.261 -6.533 11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 36 76.304 -5.932 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.470 -4.430 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.331 -4.067 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.282 -3.724 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.121 -5.179 13.109 1.00 0.00 H new ATOM 490 N LEU A 37 74.209 -7.015 5.360 1.00 0.00 N ATOM 491 CA LEU A 37 73.099 -7.506 4.478 1.00 0.00 C ATOM 492 C LEU A 37 73.619 -7.978 3.113 1.00 0.00 C ATOM 493 O LEU A 37 73.012 -8.830 2.490 1.00 0.00 O ATOM 494 CB LEU A 37 72.164 -6.308 4.301 1.00 0.00 C ATOM 495 CG LEU A 37 71.269 -6.170 5.535 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.662 -4.766 5.570 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.147 -7.208 5.469 1.00 0.00 C ATOM 0 H LEU A 37 74.412 -6.019 5.278 1.00 0.00 H new ATOM 0 HA LEU A 37 72.599 -8.365 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.746 -5.398 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.552 -6.440 3.408 1.00 0.00 H new ATOM 0 HG LEU A 37 71.863 -6.332 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.024 -4.667 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.460 -4.025 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.068 -4.604 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.509 -7.111 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.553 -7.045 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.578 -8.209 5.443 1.00 0.00 H new ATOM 509 N GLN A 38 74.728 -7.435 2.646 1.00 0.00 N ATOM 510 CA GLN A 38 75.234 -7.745 1.252 1.00 0.00 C ATOM 511 C GLN A 38 75.307 -9.261 0.979 1.00 0.00 C ATOM 512 O GLN A 38 75.580 -10.045 1.870 1.00 0.00 O ATOM 513 CB GLN A 38 76.638 -7.113 1.153 1.00 0.00 C ATOM 514 CG GLN A 38 77.573 -7.679 2.231 1.00 0.00 C ATOM 515 CD GLN A 38 78.949 -7.019 2.113 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.958 -7.695 2.069 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.034 -5.718 2.057 1.00 0.00 N ATOM 0 H GLN A 38 75.311 -6.785 3.173 1.00 0.00 H new ATOM 0 HA GLN A 38 74.550 -7.340 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.058 -7.304 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.562 -6.031 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.155 -7.498 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.665 -8.759 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.188 -5.150 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 38 79.947 -5.270 1.976 1.00 0.00 H new ATOM 526 N GLY A 39 75.065 -9.657 -0.252 1.00 0.00 N ATOM 527 CA GLY A 39 74.956 -11.110 -0.592 1.00 0.00 C ATOM 528 C GLY A 39 73.487 -11.557 -0.601 1.00 0.00 C ATOM 529 O GLY A 39 73.138 -12.505 -1.283 1.00 0.00 O ATOM 0 H GLY A 39 74.937 -9.025 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.403 -11.295 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.517 -11.701 0.132 1.00 0.00 H new ATOM 533 N LYS A 40 72.632 -10.888 0.147 1.00 0.00 N ATOM 534 CA LYS A 40 71.167 -11.207 0.109 1.00 0.00 C ATOM 535 C LYS A 40 70.479 -10.386 -0.985 1.00 0.00 C ATOM 536 O LYS A 40 70.956 -9.329 -1.363 1.00 0.00 O ATOM 537 CB LYS A 40 70.627 -10.819 1.488 1.00 0.00 C ATOM 538 CG LYS A 40 71.218 -11.748 2.551 1.00 0.00 C ATOM 539 CD LYS A 40 70.613 -11.413 3.915 1.00 0.00 C ATOM 540 CE LYS A 40 71.288 -12.261 4.996 1.00 0.00 C ATOM 541 NZ LYS A 40 72.562 -11.551 5.299 1.00 0.00 N ATOM 0 H LYS A 40 72.890 -10.133 0.783 1.00 0.00 H new ATOM 0 HA LYS A 40 70.984 -12.258 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.884 -9.784 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.539 -10.886 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.012 -12.788 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.302 -11.636 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.746 -10.353 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.540 -11.604 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.660 -12.343 5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.475 -13.275 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 73.343 -12.237 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 72.751 -10.846 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 72.483 -11.073 6.219 1.00 0.00 H new ATOM 555 N THR A 41 69.367 -10.872 -1.491 1.00 0.00 N ATOM 556 CA THR A 41 68.634 -10.149 -2.575 1.00 0.00 C ATOM 557 C THR A 41 67.458 -9.362 -1.988 1.00 0.00 C ATOM 558 O THR A 41 66.860 -9.769 -1.008 1.00 0.00 O ATOM 559 CB THR A 41 68.129 -11.247 -3.512 1.00 0.00 C ATOM 560 OG1 THR A 41 69.204 -12.118 -3.841 1.00 0.00 O ATOM 561 CG2 THR A 41 67.575 -10.615 -4.791 1.00 0.00 C ATOM 0 H THR A 41 68.935 -11.747 -1.194 1.00 0.00 H new ATOM 0 HA THR A 41 69.269 -9.430 -3.093 1.00 0.00 H new ATOM 0 HB THR A 41 67.340 -11.812 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.882 -12.823 -4.440 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.215 -11.399 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.752 -9.947 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.363 -10.049 -5.288 1.00 0.00 H new ATOM 569 N VAL A 42 67.134 -8.240 -2.589 1.00 0.00 N ATOM 570 CA VAL A 42 66.044 -7.361 -2.058 1.00 0.00 C ATOM 571 C VAL A 42 65.067 -6.989 -3.179 1.00 0.00 C ATOM 572 O VAL A 42 65.474 -6.742 -4.301 1.00 0.00 O ATOM 573 CB VAL A 42 66.742 -6.104 -1.501 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.629 -6.495 -0.315 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.610 -5.428 -2.576 1.00 0.00 C ATOM 0 H VAL A 42 67.585 -7.893 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 42 65.464 -7.864 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 42 65.972 -5.401 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.122 -5.606 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 42 67.015 -6.945 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.381 -7.212 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.089 -4.545 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.373 -6.126 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.983 -5.133 -3.418 1.00 0.00 H new ATOM 585 N ARG A 43 63.789 -6.954 -2.872 1.00 0.00 N ATOM 586 CA ARG A 43 62.769 -6.496 -3.863 1.00 0.00 C ATOM 587 C ARG A 43 61.780 -5.536 -3.194 1.00 0.00 C ATOM 588 O ARG A 43 61.512 -5.639 -2.009 1.00 0.00 O ATOM 589 CB ARG A 43 62.056 -7.771 -4.318 1.00 0.00 C ATOM 590 CG ARG A 43 61.150 -7.452 -5.510 1.00 0.00 C ATOM 591 CD ARG A 43 60.328 -8.693 -5.876 1.00 0.00 C ATOM 592 NE ARG A 43 59.575 -8.327 -7.124 1.00 0.00 N ATOM 593 CZ ARG A 43 58.463 -8.944 -7.484 1.00 0.00 C ATOM 594 NH1 ARG A 43 57.945 -9.936 -6.794 1.00 0.00 N ATOM 595 NH2 ARG A 43 57.859 -8.558 -8.576 1.00 0.00 N ATOM 0 H ARG A 43 63.409 -7.227 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 43 63.216 -5.960 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.787 -8.530 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.466 -8.182 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.486 -6.623 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.751 -7.137 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 43 60.974 -9.554 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.644 -8.962 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 43 59.935 -7.576 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.404 -10.259 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 43 57.084 -10.383 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.247 -7.795 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 43 56.999 -9.019 -8.874 1.00 0.00 H new ATOM 609 N THR A 44 61.233 -4.606 -3.950 1.00 0.00 N ATOM 610 CA THR A 44 60.342 -3.541 -3.359 1.00 0.00 C ATOM 611 C THR A 44 59.179 -4.151 -2.560 1.00 0.00 C ATOM 612 O THR A 44 58.577 -5.123 -2.980 1.00 0.00 O ATOM 613 CB THR A 44 59.792 -2.753 -4.556 1.00 0.00 C ATOM 614 OG1 THR A 44 60.861 -2.421 -5.431 1.00 0.00 O ATOM 615 CG2 THR A 44 59.117 -1.472 -4.063 1.00 0.00 C ATOM 0 H THR A 44 61.365 -4.537 -4.959 1.00 0.00 H new ATOM 0 HA THR A 44 60.901 -2.913 -2.665 1.00 0.00 H new ATOM 0 HB THR A 44 59.061 -3.362 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.513 -1.919 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.728 -0.915 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.297 -1.728 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.844 -0.859 -3.531 1.00 0.00 H new ATOM 623 N GLY A 45 58.874 -3.579 -1.415 1.00 0.00 N ATOM 624 CA GLY A 45 57.692 -4.032 -0.617 1.00 0.00 C ATOM 625 C GLY A 45 58.112 -4.984 0.514 1.00 0.00 C ATOM 626 O GLY A 45 57.352 -5.193 1.444 1.00 0.00 O ATOM 0 H GLY A 45 59.400 -2.811 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.182 -3.166 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.980 -4.534 -1.272 1.00 0.00 H new ATOM 630 N ASP A 46 59.300 -5.559 0.453 1.00 0.00 N ATOM 631 CA ASP A 46 59.774 -6.462 1.562 1.00 0.00 C ATOM 632 C ASP A 46 59.916 -5.683 2.875 1.00 0.00 C ATOM 633 O ASP A 46 60.172 -4.491 2.868 1.00 0.00 O ATOM 634 CB ASP A 46 61.143 -6.997 1.126 1.00 0.00 C ATOM 635 CG ASP A 46 60.976 -7.975 -0.042 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.032 -8.750 -0.019 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.803 -7.936 -0.937 1.00 0.00 O ATOM 0 H ASP A 46 59.960 -5.441 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 46 59.061 -7.268 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.788 -6.170 0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.631 -7.497 1.963 1.00 0.00 H new ATOM 642 N VAL A 47 59.749 -6.355 3.991 1.00 0.00 N ATOM 643 CA VAL A 47 59.929 -5.698 5.326 1.00 0.00 C ATOM 644 C VAL A 47 60.776 -6.610 6.224 1.00 0.00 C ATOM 645 O VAL A 47 60.511 -7.795 6.334 1.00 0.00 O ATOM 646 CB VAL A 47 58.507 -5.516 5.898 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.571 -4.826 7.268 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.666 -4.645 4.955 1.00 0.00 C ATOM 0 H VAL A 47 59.493 -7.341 4.033 1.00 0.00 H new ATOM 0 HA VAL A 47 60.442 -4.739 5.258 1.00 0.00 H new ATOM 0 HB VAL A 47 58.052 -6.501 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.562 -4.703 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.157 -5.436 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.040 -3.848 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.665 -4.523 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.136 -3.667 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.600 -5.125 3.979 1.00 0.00 H new ATOM 658 N ILE A 48 61.786 -6.059 6.859 1.00 0.00 N ATOM 659 CA ILE A 48 62.666 -6.874 7.760 1.00 0.00 C ATOM 660 C ILE A 48 62.984 -6.096 9.042 1.00 0.00 C ATOM 661 O ILE A 48 63.014 -4.878 9.040 1.00 0.00 O ATOM 662 CB ILE A 48 63.950 -7.183 6.960 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.658 -5.889 6.508 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.593 -8.025 5.730 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.622 -5.393 7.597 1.00 0.00 C ATOM 0 H ILE A 48 62.040 -5.073 6.791 1.00 0.00 H new ATOM 0 HA ILE A 48 62.175 -7.798 8.067 1.00 0.00 H new ATOM 0 HB ILE A 48 64.631 -7.733 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.207 -6.072 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.917 -5.119 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.498 -8.244 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.130 -8.959 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.896 -7.472 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.112 -4.480 7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.065 -5.190 8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.374 -6.157 7.793 1.00 0.00 H new ATOM 677 N GLY A 49 63.217 -6.800 10.129 1.00 0.00 N ATOM 678 CA GLY A 49 63.524 -6.130 11.432 1.00 0.00 C ATOM 679 C GLY A 49 65.001 -6.331 11.777 1.00 0.00 C ATOM 680 O GLY A 49 65.552 -7.397 11.563 1.00 0.00 O ATOM 0 H GLY A 49 63.207 -7.819 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.297 -5.066 11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.896 -6.543 12.222 1.00 0.00 H new ATOM 684 N ILE A 50 65.637 -5.311 12.310 1.00 0.00 N ATOM 685 CA ILE A 50 67.067 -5.432 12.745 1.00 0.00 C ATOM 686 C ILE A 50 67.180 -5.037 14.225 1.00 0.00 C ATOM 687 O ILE A 50 66.593 -4.059 14.655 1.00 0.00 O ATOM 688 CB ILE A 50 67.863 -4.465 11.843 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.708 -4.874 10.370 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.353 -4.507 12.206 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.217 -3.749 9.465 1.00 0.00 C ATOM 0 H ILE A 50 65.222 -4.392 12.463 1.00 0.00 H new ATOM 0 HA ILE A 50 67.451 -6.448 12.651 1.00 0.00 H new ATOM 0 HB ILE A 50 67.475 -3.458 11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.266 -5.790 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.662 -5.086 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.904 -3.821 11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.482 -4.211 13.247 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.733 -5.519 12.066 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.105 -4.043 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.640 -2.843 9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.269 -3.559 9.678 1.00 0.00 H new ATOM 703 N SER A 51 67.923 -5.798 14.996 1.00 0.00 N ATOM 704 CA SER A 51 68.244 -5.389 16.402 1.00 0.00 C ATOM 705 C SER A 51 69.536 -4.569 16.431 1.00 0.00 C ATOM 706 O SER A 51 70.585 -5.049 16.034 1.00 0.00 O ATOM 707 CB SER A 51 68.429 -6.699 17.171 1.00 0.00 C ATOM 708 OG SER A 51 68.762 -6.409 18.521 1.00 0.00 O ATOM 0 H SER A 51 68.323 -6.691 14.709 1.00 0.00 H new ATOM 0 HA SER A 51 67.460 -4.769 16.837 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.514 -7.291 17.129 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.216 -7.296 16.711 1.00 0.00 H new ATOM 0 HG SER A 51 68.880 -7.247 19.016 1.00 0.00 H new ATOM 714 N ILE A 52 69.464 -3.341 16.897 1.00 0.00 N ATOM 715 CA ILE A 52 70.686 -2.476 16.983 1.00 0.00 C ATOM 716 C ILE A 52 70.785 -1.871 18.391 1.00 0.00 C ATOM 717 O ILE A 52 69.842 -1.284 18.888 1.00 0.00 O ATOM 718 CB ILE A 52 70.503 -1.375 15.916 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.346 -2.002 14.522 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.729 -0.451 15.899 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.843 -0.945 13.535 1.00 0.00 C ATOM 0 H ILE A 52 68.604 -2.899 17.223 1.00 0.00 H new ATOM 0 HA ILE A 52 71.604 -3.036 16.805 1.00 0.00 H new ATOM 0 HB ILE A 52 69.608 -0.805 16.166 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.301 -2.404 14.184 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.646 -2.836 14.565 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.591 0.322 15.143 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.847 0.014 16.877 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.620 -1.033 15.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.733 -1.393 12.547 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.878 -0.564 13.870 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.559 -0.125 13.484 1.00 0.00 H new ATOM 733 N LEU A 53 71.930 -2.015 19.033 1.00 0.00 N ATOM 734 CA LEU A 53 72.184 -1.383 20.381 1.00 0.00 C ATOM 735 C LEU A 53 71.065 -1.709 21.384 1.00 0.00 C ATOM 736 O LEU A 53 70.747 -0.907 22.247 1.00 0.00 O ATOM 737 CB LEU A 53 72.254 0.129 20.124 1.00 0.00 C ATOM 738 CG LEU A 53 73.477 0.446 19.259 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.317 1.834 18.637 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.736 0.419 20.130 1.00 0.00 C ATOM 0 H LEU A 53 72.716 -2.556 18.672 1.00 0.00 H new ATOM 0 HA LEU A 53 73.104 -1.766 20.822 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.346 0.466 19.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.316 0.667 21.070 1.00 0.00 H new ATOM 0 HG LEU A 53 73.565 -0.298 18.467 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.188 2.059 18.021 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.420 1.854 18.018 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.229 2.579 19.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.608 0.644 19.516 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.647 1.163 20.921 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.850 -0.570 20.574 1.00 0.00 H new ATOM 752 N GLY A 54 70.477 -2.878 21.269 1.00 0.00 N ATOM 753 CA GLY A 54 69.416 -3.307 22.235 1.00 0.00 C ATOM 754 C GLY A 54 68.083 -2.610 21.917 1.00 0.00 C ATOM 755 O GLY A 54 67.244 -2.470 22.790 1.00 0.00 O ATOM 0 H GLY A 54 70.690 -3.559 20.540 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.288 -4.388 22.187 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.724 -3.068 23.253 1.00 0.00 H new ATOM 759 N LYS A 55 67.881 -2.177 20.687 1.00 0.00 N ATOM 760 CA LYS A 55 66.609 -1.480 20.318 1.00 0.00 C ATOM 761 C LYS A 55 66.067 -2.041 19.000 1.00 0.00 C ATOM 762 O LYS A 55 66.798 -2.171 18.034 1.00 0.00 O ATOM 763 CB LYS A 55 66.998 -0.010 20.158 1.00 0.00 C ATOM 764 CG LYS A 55 65.737 0.842 20.005 1.00 0.00 C ATOM 765 CD LYS A 55 66.131 2.302 19.777 1.00 0.00 C ATOM 766 CE LYS A 55 64.870 3.163 19.682 1.00 0.00 C ATOM 767 NZ LYS A 55 65.349 4.565 19.841 1.00 0.00 N ATOM 0 H LYS A 55 68.549 -2.280 19.923 1.00 0.00 H new ATOM 0 HA LYS A 55 65.828 -1.615 21.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.570 0.321 21.025 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.640 0.114 19.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.141 0.480 19.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 65.117 0.757 20.898 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.762 2.651 20.595 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.716 2.393 18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 64.368 3.023 18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 55 64.153 2.900 20.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 64.540 5.216 19.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 65.817 4.669 20.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.025 4.789 19.083 1.00 0.00 H new ATOM 781 N GLU A 56 64.795 -2.374 18.965 1.00 0.00 N ATOM 782 CA GLU A 56 64.186 -2.943 17.719 1.00 0.00 C ATOM 783 C GLU A 56 63.841 -1.821 16.734 1.00 0.00 C ATOM 784 O GLU A 56 63.164 -0.871 17.085 1.00 0.00 O ATOM 785 CB GLU A 56 62.912 -3.662 18.174 1.00 0.00 C ATOM 786 CG GLU A 56 62.352 -4.493 17.017 1.00 0.00 C ATOM 787 CD GLU A 56 61.016 -5.114 17.431 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.944 -5.639 18.530 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.088 -5.056 16.641 1.00 0.00 O ATOM 0 H GLU A 56 64.151 -2.275 19.750 1.00 0.00 H new ATOM 0 HA GLU A 56 64.871 -3.620 17.208 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.130 -4.306 19.026 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.170 -2.935 18.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.215 -3.864 16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.059 -5.276 16.743 1.00 0.00 H new ATOM 796 N VAL A 57 64.307 -1.932 15.510 1.00 0.00 N ATOM 797 CA VAL A 57 63.921 -0.954 14.442 1.00 0.00 C ATOM 798 C VAL A 57 63.394 -1.706 13.209 1.00 0.00 C ATOM 799 O VAL A 57 63.997 -2.664 12.757 1.00 0.00 O ATOM 800 CB VAL A 57 65.206 -0.150 14.133 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.339 -1.077 13.670 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.931 0.890 13.039 1.00 0.00 C ATOM 0 H VAL A 57 64.945 -2.667 15.204 1.00 0.00 H new ATOM 0 HA VAL A 57 63.119 -0.285 14.753 1.00 0.00 H new ATOM 0 HB VAL A 57 65.512 0.352 15.051 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.230 -0.486 13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.561 -1.801 14.454 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.032 -1.604 12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.843 1.449 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.600 0.385 12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.154 1.576 13.376 1.00 0.00 H new ATOM 812 N LYS A 58 62.272 -1.271 12.677 1.00 0.00 N ATOM 813 CA LYS A 58 61.714 -1.893 11.435 1.00 0.00 C ATOM 814 C LYS A 58 62.124 -1.081 10.203 1.00 0.00 C ATOM 815 O LYS A 58 62.035 0.135 10.201 1.00 0.00 O ATOM 816 CB LYS A 58 60.195 -1.850 11.617 1.00 0.00 C ATOM 817 CG LYS A 58 59.787 -2.791 12.753 1.00 0.00 C ATOM 818 CD LYS A 58 58.262 -2.806 12.879 1.00 0.00 C ATOM 819 CE LYS A 58 57.858 -3.640 14.097 1.00 0.00 C ATOM 820 NZ LYS A 58 58.022 -2.723 15.259 1.00 0.00 N ATOM 0 H LYS A 58 61.716 -0.504 13.056 1.00 0.00 H new ATOM 0 HA LYS A 58 62.081 -2.908 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.874 -0.833 11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.699 -2.144 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.156 -3.797 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.237 -2.464 13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.885 -1.788 12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.816 -3.222 11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 58 56.829 -3.991 14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.489 -4.523 14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.507 -3.224 16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.587 -1.898 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.087 -2.406 15.586 1.00 0.00 H new ATOM 834 N PHE A 59 62.568 -1.749 9.162 1.00 0.00 N ATOM 835 CA PHE A 59 62.911 -1.049 7.885 1.00 0.00 C ATOM 836 C PHE A 59 62.044 -1.583 6.741 1.00 0.00 C ATOM 837 O PHE A 59 61.914 -2.784 6.570 1.00 0.00 O ATOM 838 CB PHE A 59 64.381 -1.383 7.628 1.00 0.00 C ATOM 839 CG PHE A 59 65.345 -0.606 8.491 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.683 0.741 8.152 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.932 -1.221 9.641 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.603 1.473 8.965 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.852 -0.490 10.451 1.00 0.00 C ATOM 844 CZ PHE A 59 67.189 0.857 10.115 1.00 0.00 C ATOM 0 H PHE A 59 62.708 -2.759 9.145 1.00 0.00 H new ATOM 0 HA PHE A 59 62.739 0.025 7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.536 -2.449 7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.610 -1.189 6.580 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.243 1.205 7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.679 -2.239 9.897 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.856 2.492 8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.294 -0.956 11.319 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.885 1.409 10.729 1.00 0.00 H new ATOM 854 N LYS A 60 61.456 -0.698 5.968 1.00 0.00 N ATOM 855 CA LYS A 60 60.707 -1.125 4.745 1.00 0.00 C ATOM 856 C LYS A 60 61.516 -0.793 3.489 1.00 0.00 C ATOM 857 O LYS A 60 62.184 0.225 3.432 1.00 0.00 O ATOM 858 CB LYS A 60 59.405 -0.324 4.767 1.00 0.00 C ATOM 859 CG LYS A 60 58.452 -0.879 3.706 1.00 0.00 C ATOM 860 CD LYS A 60 57.190 -0.017 3.640 1.00 0.00 C ATOM 861 CE LYS A 60 56.169 -0.676 2.709 1.00 0.00 C ATOM 862 NZ LYS A 60 55.445 -1.657 3.565 1.00 0.00 N ATOM 0 H LYS A 60 61.464 0.308 6.135 1.00 0.00 H new ATOM 0 HA LYS A 60 60.521 -2.199 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.944 -0.384 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.609 0.729 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.945 -0.894 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.188 -1.909 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.765 0.102 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.437 0.981 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 60 55.485 0.061 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.660 -1.170 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 55.188 -2.490 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.058 -1.950 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 54.582 -1.217 3.944 1.00 0.00 H new ATOM 876 N VAL A 61 61.454 -1.646 2.492 1.00 0.00 N ATOM 877 CA VAL A 61 62.173 -1.377 1.202 1.00 0.00 C ATOM 878 C VAL A 61 61.264 -0.554 0.282 1.00 0.00 C ATOM 879 O VAL A 61 60.221 -1.022 -0.143 1.00 0.00 O ATOM 880 CB VAL A 61 62.476 -2.762 0.590 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.253 -2.602 -0.722 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.326 -3.597 1.559 1.00 0.00 C ATOM 0 H VAL A 61 60.933 -2.523 2.516 1.00 0.00 H new ATOM 0 HA VAL A 61 63.093 -0.810 1.346 1.00 0.00 H new ATOM 0 HB VAL A 61 61.527 -3.264 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.461 -3.585 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.659 -2.022 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.193 -2.085 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.532 -4.571 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.266 -3.081 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.784 -3.732 2.495 1.00 0.00 H new ATOM 892 N VAL A 62 61.664 0.659 -0.026 1.00 0.00 N ATOM 893 CA VAL A 62 60.778 1.588 -0.804 1.00 0.00 C ATOM 894 C VAL A 62 60.847 1.222 -2.291 1.00 0.00 C ATOM 895 O VAL A 62 59.834 1.181 -2.967 1.00 0.00 O ATOM 896 CB VAL A 62 61.320 3.012 -0.558 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.452 4.045 -1.288 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.298 3.332 0.942 1.00 0.00 C ATOM 0 H VAL A 62 62.572 1.048 0.230 1.00 0.00 H new ATOM 0 HA VAL A 62 59.735 1.519 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 62 62.342 3.057 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.846 5.045 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.465 3.840 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.428 3.986 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.682 4.339 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.275 3.270 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.921 2.615 1.476 1.00 0.00 H new ATOM 908 N GLN A 63 62.034 0.956 -2.790 1.00 0.00 N ATOM 909 CA GLN A 63 62.198 0.613 -4.239 1.00 0.00 C ATOM 910 C GLN A 63 63.554 -0.056 -4.479 1.00 0.00 C ATOM 911 O GLN A 63 64.566 0.377 -3.958 1.00 0.00 O ATOM 912 CB GLN A 63 62.115 1.952 -4.991 1.00 0.00 C ATOM 913 CG GLN A 63 60.681 2.192 -5.479 1.00 0.00 C ATOM 914 CD GLN A 63 60.697 3.112 -6.702 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.838 2.654 -7.818 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.558 4.399 -6.538 1.00 0.00 N ATOM 0 H GLN A 63 62.900 0.962 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 63 61.435 -0.087 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 63 62.426 2.766 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.800 1.945 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 63 60.210 1.242 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.086 2.640 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.440 4.784 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.568 5.020 -7.347 1.00 0.00 H new ATOM 925 N ALA A 64 63.564 -1.109 -5.265 1.00 0.00 N ATOM 926 CA ALA A 64 64.852 -1.735 -5.697 1.00 0.00 C ATOM 927 C ALA A 64 65.136 -1.385 -7.162 1.00 0.00 C ATOM 928 O ALA A 64 64.263 -1.484 -8.005 1.00 0.00 O ATOM 929 CB ALA A 64 64.636 -3.243 -5.533 1.00 0.00 C ATOM 0 H ALA A 64 62.726 -1.564 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 64 65.703 -1.383 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.540 -3.775 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.410 -3.467 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.804 -3.562 -6.161 1.00 0.00 H new ATOM 935 N TYR A 65 66.349 -0.975 -7.458 1.00 0.00 N ATOM 936 CA TYR A 65 66.711 -0.591 -8.859 1.00 0.00 C ATOM 937 C TYR A 65 67.999 -1.320 -9.295 1.00 0.00 C ATOM 938 O TYR A 65 69.038 -1.060 -8.723 1.00 0.00 O ATOM 939 CB TYR A 65 66.956 0.920 -8.793 1.00 0.00 C ATOM 940 CG TYR A 65 65.703 1.743 -8.970 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.144 1.920 -10.274 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.076 2.345 -7.836 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.958 2.700 -10.443 1.00 0.00 C ATOM 944 CE2 TYR A 65 63.890 3.125 -8.005 1.00 0.00 C ATOM 945 CZ TYR A 65 63.332 3.302 -9.308 1.00 0.00 C ATOM 946 OH TYR A 65 62.187 4.057 -9.472 1.00 0.00 O ATOM 0 H TYR A 65 67.108 -0.890 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 65 65.935 -0.856 -9.577 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.409 1.165 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.675 1.197 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.618 1.465 -11.131 1.00 0.00 H new ATOM 0 HD2 TYR A 65 65.498 2.211 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.535 2.834 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.416 3.580 -7.148 1.00 0.00 H new ATOM 0 HH TYR A 65 61.406 3.528 -9.208 1.00 0.00 H new ATOM 956 N PRO A 66 67.944 -2.211 -10.282 1.00 0.00 N ATOM 957 CA PRO A 66 66.680 -2.825 -10.811 1.00 0.00 C ATOM 958 C PRO A 66 66.116 -3.830 -9.804 1.00 0.00 C ATOM 959 O PRO A 66 66.811 -4.255 -8.900 1.00 0.00 O ATOM 960 CB PRO A 66 67.138 -3.536 -12.083 1.00 0.00 C ATOM 961 CG PRO A 66 68.570 -3.859 -11.829 1.00 0.00 C ATOM 962 CD PRO A 66 69.118 -2.734 -10.998 1.00 0.00 C ATOM 0 HA PRO A 66 65.890 -2.096 -10.992 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.554 -4.437 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.024 -2.897 -12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.667 -4.811 -11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.119 -3.953 -12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.883 -3.086 -10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.580 -1.967 -11.620 1.00 0.00 H new ATOM 970 N SER A 67 64.867 -4.210 -9.959 1.00 0.00 N ATOM 971 CA SER A 67 64.252 -5.206 -9.028 1.00 0.00 C ATOM 972 C SER A 67 64.199 -6.595 -9.702 1.00 0.00 C ATOM 973 O SER A 67 63.952 -6.664 -10.890 1.00 0.00 O ATOM 974 CB SER A 67 62.835 -4.690 -8.778 1.00 0.00 C ATOM 975 OG SER A 67 62.880 -3.614 -7.853 1.00 0.00 O ATOM 0 H SER A 67 64.247 -3.870 -10.694 1.00 0.00 H new ATOM 0 HA SER A 67 64.820 -5.314 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.386 -4.360 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.208 -5.492 -8.389 1.00 0.00 H new ATOM 0 HG SER A 67 63.305 -2.838 -8.274 1.00 0.00 H new ATOM 981 N PRO A 68 64.426 -7.675 -8.963 1.00 0.00 N ATOM 982 CA PRO A 68 65.203 -7.672 -7.678 1.00 0.00 C ATOM 983 C PRO A 68 66.695 -7.451 -7.952 1.00 0.00 C ATOM 984 O PRO A 68 67.150 -7.587 -9.075 1.00 0.00 O ATOM 985 CB PRO A 68 64.959 -9.070 -7.112 1.00 0.00 C ATOM 986 CG PRO A 68 64.680 -9.911 -8.311 1.00 0.00 C ATOM 987 CD PRO A 68 63.952 -9.030 -9.286 1.00 0.00 C ATOM 0 HA PRO A 68 64.899 -6.878 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.828 -9.434 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.119 -9.077 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.606 -10.288 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.076 -10.778 -8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.183 -9.299 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.871 -9.113 -9.170 1.00 0.00 H new ATOM 995 N LEU A 69 67.451 -7.111 -6.931 1.00 0.00 N ATOM 996 CA LEU A 69 68.941 -7.023 -7.067 1.00 0.00 C ATOM 997 C LEU A 69 69.626 -7.537 -5.795 1.00 0.00 C ATOM 998 O LEU A 69 69.036 -7.535 -4.729 1.00 0.00 O ATOM 999 CB LEU A 69 69.256 -5.535 -7.315 1.00 0.00 C ATOM 1000 CG LEU A 69 68.781 -4.655 -6.141 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.891 -4.561 -5.084 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.439 -3.246 -6.651 1.00 0.00 C ATOM 0 H LEU A 69 67.094 -6.889 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 69 69.311 -7.640 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.329 -5.408 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.773 -5.208 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 69 67.892 -5.103 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.553 -3.939 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.128 -5.559 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.782 -4.119 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.104 -2.629 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.324 -2.797 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.646 -3.311 -7.396 1.00 0.00 H new ATOM 1014 N ARG A 70 70.858 -7.979 -5.909 1.00 0.00 N ATOM 1015 CA ARG A 70 71.659 -8.338 -4.695 1.00 0.00 C ATOM 1016 C ARG A 70 72.452 -7.120 -4.215 1.00 0.00 C ATOM 1017 O ARG A 70 72.947 -6.344 -5.013 1.00 0.00 O ATOM 1018 CB ARG A 70 72.605 -9.459 -5.141 1.00 0.00 C ATOM 1019 CG ARG A 70 71.945 -10.820 -4.912 1.00 0.00 C ATOM 1020 CD ARG A 70 72.713 -11.900 -5.683 1.00 0.00 C ATOM 1021 NE ARG A 70 71.975 -13.183 -5.429 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.552 -14.367 -5.552 1.00 0.00 C ATOM 1023 NH1 ARG A 70 73.806 -14.511 -5.923 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.847 -15.436 -5.303 1.00 0.00 N ATOM 0 H ARG A 70 71.345 -8.107 -6.796 1.00 0.00 H new ATOM 0 HA ARG A 70 71.027 -8.658 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.854 -9.339 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.540 -9.400 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.935 -11.056 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.907 -10.792 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.746 -11.672 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.745 -11.967 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 70 70.994 -13.140 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.374 -13.690 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.210 -15.444 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.871 -15.349 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.272 -16.359 -5.392 1.00 0.00 H new ATOM 1038 N VAL A 71 72.568 -6.959 -2.916 1.00 0.00 N ATOM 1039 CA VAL A 71 73.295 -5.775 -2.349 1.00 0.00 C ATOM 1040 C VAL A 71 74.801 -6.071 -2.324 1.00 0.00 C ATOM 1041 O VAL A 71 75.218 -7.133 -1.895 1.00 0.00 O ATOM 1042 CB VAL A 71 72.737 -5.579 -0.923 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.416 -4.381 -0.245 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.228 -5.313 -0.981 1.00 0.00 C ATOM 0 H VAL A 71 72.188 -7.601 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 71 73.152 -4.872 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 71 72.935 -6.487 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.013 -4.255 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.490 -4.557 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.228 -3.479 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.844 -5.176 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.039 -4.413 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.727 -6.161 -1.448 1.00 0.00 H new ATOM 1054 N GLU A 72 75.604 -5.137 -2.783 1.00 0.00 N ATOM 1055 CA GLU A 72 77.089 -5.327 -2.779 1.00 0.00 C ATOM 1056 C GLU A 72 77.775 -4.100 -2.175 1.00 0.00 C ATOM 1057 O GLU A 72 77.128 -3.118 -1.857 1.00 0.00 O ATOM 1058 CB GLU A 72 77.485 -5.474 -4.251 1.00 0.00 C ATOM 1059 CG GLU A 72 76.875 -6.754 -4.828 1.00 0.00 C ATOM 1060 CD GLU A 72 77.564 -7.101 -6.151 1.00 0.00 C ATOM 1061 OE1 GLU A 72 77.761 -6.200 -6.950 1.00 0.00 O ATOM 1062 OE2 GLU A 72 77.880 -8.264 -6.343 1.00 0.00 O ATOM 0 H GLU A 72 75.289 -4.244 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 72 77.385 -6.193 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.141 -4.609 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.571 -5.504 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.990 -7.575 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.805 -6.619 -4.988 1.00 0.00 H new ATOM 1069 N ASP A 73 79.079 -4.160 -2.015 1.00 0.00 N ATOM 1070 CA ASP A 73 79.869 -2.931 -1.653 1.00 0.00 C ATOM 1071 C ASP A 73 79.750 -1.863 -2.750 1.00 0.00 C ATOM 1072 O ASP A 73 79.825 -0.678 -2.472 1.00 0.00 O ATOM 1073 CB ASP A 73 81.327 -3.391 -1.526 1.00 0.00 C ATOM 1074 CG ASP A 73 81.462 -4.349 -0.340 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.908 -4.050 0.707 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.118 -5.366 -0.496 1.00 0.00 O ATOM 0 H ASP A 73 79.634 -5.010 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 73 79.500 -2.485 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.644 -3.886 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.980 -2.529 -1.387 1.00 0.00 H new ATOM 1081 N ARG A 74 79.565 -2.279 -3.985 1.00 0.00 N ATOM 1082 CA ARG A 74 79.452 -1.299 -5.117 1.00 0.00 C ATOM 1083 C ARG A 74 78.020 -0.746 -5.243 1.00 0.00 C ATOM 1084 O ARG A 74 77.820 0.305 -5.829 1.00 0.00 O ATOM 1085 CB ARG A 74 79.866 -2.064 -6.390 1.00 0.00 C ATOM 1086 CG ARG A 74 78.951 -3.272 -6.643 1.00 0.00 C ATOM 1087 CD ARG A 74 79.068 -3.702 -8.109 1.00 0.00 C ATOM 1088 NE ARG A 74 80.450 -4.274 -8.257 1.00 0.00 N ATOM 1089 CZ ARG A 74 81.063 -4.345 -9.427 1.00 0.00 C ATOM 1090 NH1 ARG A 74 80.506 -3.940 -10.547 1.00 0.00 N ATOM 1091 NH2 ARG A 74 82.268 -4.844 -9.472 1.00 0.00 N ATOM 0 H ARG A 74 79.487 -3.259 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 74 80.094 -0.434 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.829 -1.392 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.898 -2.402 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.230 -4.097 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 74 77.918 -3.015 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 74 78.309 -4.442 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 74 78.922 -2.854 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 74 80.932 -4.619 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 74 79.563 -3.552 -10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 74 81.017 -4.014 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 74 82.718 -5.169 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 74 82.760 -4.909 -10.363 1.00 0.00 H new ATOM 1105 N THR A 75 77.037 -1.440 -4.705 1.00 0.00 N ATOM 1106 CA THR A 75 75.628 -0.920 -4.742 1.00 0.00 C ATOM 1107 C THR A 75 75.469 0.245 -3.761 1.00 0.00 C ATOM 1108 O THR A 75 75.893 0.161 -2.621 1.00 0.00 O ATOM 1109 CB THR A 75 74.733 -2.093 -4.325 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.084 -3.245 -5.079 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.268 -1.738 -4.587 1.00 0.00 C ATOM 0 H THR A 75 77.151 -2.342 -4.243 1.00 0.00 H new ATOM 0 HA THR A 75 75.363 -0.550 -5.732 1.00 0.00 H new ATOM 0 HB THR A 75 74.871 -2.296 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.417 -3.948 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.633 -2.573 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.999 -0.854 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.127 -1.534 -5.649 1.00 0.00 H new ATOM 1119 N LYS A 76 74.860 1.324 -4.202 1.00 0.00 N ATOM 1120 CA LYS A 76 74.659 2.514 -3.311 1.00 0.00 C ATOM 1121 C LYS A 76 73.355 2.367 -2.523 1.00 0.00 C ATOM 1122 O LYS A 76 72.368 1.879 -3.043 1.00 0.00 O ATOM 1123 CB LYS A 76 74.579 3.720 -4.252 1.00 0.00 C ATOM 1124 CG LYS A 76 75.933 3.931 -4.936 1.00 0.00 C ATOM 1125 CD LYS A 76 75.867 5.174 -5.827 1.00 0.00 C ATOM 1126 CE LYS A 76 77.131 5.252 -6.684 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.153 6.647 -7.208 1.00 0.00 N ATOM 0 H LYS A 76 74.492 1.431 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 76 75.465 2.621 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.804 3.559 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.300 4.613 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.716 4.049 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.191 3.056 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 74.984 5.131 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 76 75.774 6.070 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.022 5.037 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.103 4.525 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.993 6.780 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.296 6.820 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.186 7.316 -6.413 1.00 0.00 H new ATOM 1141 N ILE A 77 73.350 2.783 -1.278 1.00 0.00 N ATOM 1142 CA ILE A 77 72.100 2.722 -0.450 1.00 0.00 C ATOM 1143 C ILE A 77 71.807 4.113 0.133 1.00 0.00 C ATOM 1144 O ILE A 77 72.689 4.763 0.667 1.00 0.00 O ATOM 1145 CB ILE A 77 72.386 1.686 0.656 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.662 0.316 0.021 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.175 1.554 1.592 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.262 -0.627 1.065 1.00 0.00 C ATOM 0 H ILE A 77 74.164 3.165 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 77 71.223 2.431 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 77 73.253 2.021 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.737 -0.105 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.347 0.426 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.393 0.819 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.966 2.518 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.306 1.231 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.456 -1.598 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.196 -0.208 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.562 -0.748 1.892 1.00 0.00 H new ATOM 1160 N THR A 78 70.574 4.555 0.028 1.00 0.00 N ATOM 1161 CA THR A 78 70.201 5.920 0.515 1.00 0.00 C ATOM 1162 C THR A 78 69.041 5.830 1.511 1.00 0.00 C ATOM 1163 O THR A 78 68.143 5.022 1.349 1.00 0.00 O ATOM 1164 CB THR A 78 69.771 6.681 -0.741 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.764 6.532 -1.745 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.599 8.164 -0.408 1.00 0.00 C ATOM 0 H THR A 78 69.805 4.022 -0.378 1.00 0.00 H new ATOM 0 HA THR A 78 71.024 6.414 1.032 1.00 0.00 H new ATOM 0 HB THR A 78 68.824 6.280 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.490 7.017 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.293 8.705 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.837 8.278 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.545 8.568 -0.046 1.00 0.00 H new ATOM 1174 N LEU A 79 69.063 6.656 2.534 1.00 0.00 N ATOM 1175 CA LEU A 79 67.938 6.691 3.519 1.00 0.00 C ATOM 1176 C LEU A 79 66.989 7.850 3.198 1.00 0.00 C ATOM 1177 O LEU A 79 67.404 8.992 3.120 1.00 0.00 O ATOM 1178 CB LEU A 79 68.471 6.811 4.949 1.00 0.00 C ATOM 1179 CG LEU A 79 69.212 5.591 5.500 1.00 0.00 C ATOM 1180 CD1 LEU A 79 69.944 5.944 6.786 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.240 4.463 5.801 1.00 0.00 C ATOM 0 H LEU A 79 69.820 7.312 2.727 1.00 0.00 H new ATOM 0 HA LEU A 79 67.384 5.756 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.143 7.668 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.632 7.029 5.610 1.00 0.00 H new ATOM 0 HG LEU A 79 69.926 5.272 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.465 5.063 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.667 6.736 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.226 6.287 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.788 3.605 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.513 4.797 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.721 4.176 4.886 1.00 0.00 H new ATOM 1193 N VAL A 80 65.722 7.551 3.015 1.00 0.00 N ATOM 1194 CA VAL A 80 64.714 8.617 2.709 1.00 0.00 C ATOM 1195 C VAL A 80 64.026 9.058 4.009 1.00 0.00 C ATOM 1196 O VAL A 80 63.740 8.244 4.869 1.00 0.00 O ATOM 1197 CB VAL A 80 63.706 7.965 1.739 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.609 8.969 1.356 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.421 7.516 0.460 1.00 0.00 C ATOM 0 H VAL A 80 65.342 6.606 3.065 1.00 0.00 H new ATOM 0 HA VAL A 80 65.164 9.505 2.266 1.00 0.00 H new ATOM 0 HB VAL A 80 63.261 7.105 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.905 8.495 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.081 9.291 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.061 9.834 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.701 7.057 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.876 8.380 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.195 6.791 0.711 1.00 0.00 H new ATOM 1209 N THR A 81 63.767 10.339 4.143 1.00 0.00 N ATOM 1210 CA THR A 81 62.967 10.843 5.301 1.00 0.00 C ATOM 1211 C THR A 81 62.148 12.068 4.886 1.00 0.00 C ATOM 1212 O THR A 81 62.698 13.072 4.468 1.00 0.00 O ATOM 1213 CB THR A 81 64.001 11.222 6.362 1.00 0.00 C ATOM 1214 OG1 THR A 81 64.976 12.081 5.786 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.681 9.959 6.891 1.00 0.00 C ATOM 0 H THR A 81 64.079 11.060 3.493 1.00 0.00 H new ATOM 0 HA THR A 81 62.260 10.100 5.669 1.00 0.00 H new ATOM 0 HB THR A 81 63.504 11.735 7.185 1.00 0.00 H new ATOM 0 HG1 THR A 81 64.532 12.745 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.417 10.232 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 81 63.933 9.301 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.178 9.442 6.070 1.00 0.00 H new ATOM 1223 N HIS A 82 60.841 11.983 5.001 1.00 0.00 N ATOM 1224 CA HIS A 82 59.959 13.129 4.618 1.00 0.00 C ATOM 1225 C HIS A 82 58.665 13.107 5.456 1.00 0.00 C ATOM 1226 O HIS A 82 57.741 12.389 5.115 1.00 0.00 O ATOM 1227 CB HIS A 82 59.649 12.908 3.136 1.00 0.00 C ATOM 1228 CG HIS A 82 60.708 13.448 2.215 1.00 0.00 C ATOM 1229 ND1 HIS A 82 61.272 14.702 2.389 1.00 0.00 N ATOM 1230 CD2 HIS A 82 61.318 12.915 1.105 1.00 0.00 C ATOM 1231 CE1 HIS A 82 62.176 14.882 1.410 1.00 0.00 C ATOM 1232 NE2 HIS A 82 62.244 13.823 0.598 1.00 0.00 N ATOM 0 H HIS A 82 60.347 11.161 5.347 1.00 0.00 H new ATOM 0 HA HIS A 82 60.432 14.095 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.530 11.840 2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 82 58.696 13.381 2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 82 61.111 11.940 0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 82 62.774 15.774 1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 82 62.845 13.705 -0.218 1.00 0.00 H new ATOM 1240 N PRO A 83 58.622 13.889 6.531 1.00 0.00 N ATOM 1241 CA PRO A 83 57.394 13.951 7.379 1.00 0.00 C ATOM 1242 C PRO A 83 56.222 14.550 6.591 1.00 0.00 C ATOM 1243 O PRO A 83 55.195 14.807 7.198 1.00 0.00 O ATOM 1244 CB PRO A 83 57.788 14.856 8.556 1.00 0.00 C ATOM 1245 CG PRO A 83 59.277 14.969 8.500 1.00 0.00 C ATOM 1246 CD PRO A 83 59.678 14.767 7.067 1.00 0.00 C ATOM 1247 OXT PRO A 83 56.372 14.741 5.395 1.00 0.00 O ATOM 0 HA PRO A 83 57.064 12.966 7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 83 57.318 15.836 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 83 57.463 14.428 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 83 59.604 15.945 8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 83 59.745 14.222 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 83 59.725 15.713 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 83 60.662 14.305 6.988 1.00 0.00 H new TER 1255 PRO A 83