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 141:sc= -0.453 USER MOD Set 1.2: A 75 THR OG1 : rot -170:sc= 0.322 USER MOD Set 2.1: A 63 GLN : amide:sc= -0.813 K(o=-0.65,f=-2.3!) USER MOD Set 2.2: A 65 TYR OH : rot 148:sc= 0.159 USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0.0887 USER MOD Set 3.2: A 67 SER OG : rot 53:sc= -1.63! USER MOD Set 4.1: A 16 LYS NZ :NH3+ -120:sc= -0.0192 (180deg=-0.142) USER MOD Set 4.2: A 78 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 MET CE :methyl -118:sc=-0.00294 (180deg=-0.193) 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 :FLIP amide:sc= -0.279 F(o=-1,f=-0.28) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00526 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.026) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.136) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 83.517 5.118 -18.355 1.00 0.00 N ATOM 2 CA GLU A 8 83.410 3.627 -18.414 1.00 0.00 C ATOM 3 C GLU A 8 81.942 3.197 -18.347 1.00 0.00 C ATOM 4 O GLU A 8 81.105 3.919 -17.833 1.00 0.00 O ATOM 5 CB GLU A 8 84.170 3.126 -17.184 1.00 0.00 C ATOM 6 CG GLU A 8 85.664 3.418 -17.351 1.00 0.00 C ATOM 7 CD GLU A 8 86.441 2.814 -16.178 1.00 0.00 C ATOM 8 OE1 GLU A 8 85.986 2.952 -15.054 1.00 0.00 O ATOM 9 OE2 GLU A 8 87.482 2.227 -16.424 1.00 0.00 O ATOM 0 HA GLU A 8 83.818 3.222 -19.340 1.00 0.00 H new ATOM 0 HB2 GLU A 8 83.792 3.614 -16.286 1.00 0.00 H new ATOM 0 HB3 GLU A 8 84.010 2.055 -17.056 1.00 0.00 H new ATOM 0 HG2 GLU A 8 86.023 3.000 -18.292 1.00 0.00 H new ATOM 0 HG3 GLU A 8 85.832 4.494 -17.395 1.00 0.00 H new ATOM 16 N GLY A 9 81.634 2.029 -18.865 1.00 0.00 N ATOM 17 CA GLY A 9 80.224 1.528 -18.853 1.00 0.00 C ATOM 18 C GLY A 9 79.929 0.862 -17.507 1.00 0.00 C ATOM 19 O GLY A 9 79.745 -0.340 -17.434 1.00 0.00 O ATOM 0 H GLY A 9 82.307 1.398 -19.299 1.00 0.00 H new ATOM 0 HA2 GLY A 9 79.532 2.353 -19.021 1.00 0.00 H new ATOM 0 HA3 GLY A 9 80.073 0.815 -19.664 1.00 0.00 H new ATOM 23 N VAL A 10 79.882 1.641 -16.449 1.00 0.00 N ATOM 24 CA VAL A 10 79.602 1.077 -15.087 1.00 0.00 C ATOM 25 C VAL A 10 78.088 1.093 -14.834 1.00 0.00 C ATOM 26 O VAL A 10 77.413 2.054 -15.159 1.00 0.00 O ATOM 27 CB VAL A 10 80.343 1.994 -14.091 1.00 0.00 C ATOM 28 CG1 VAL A 10 80.144 1.490 -12.656 1.00 0.00 C ATOM 29 CG2 VAL A 10 81.847 2.000 -14.397 1.00 0.00 C ATOM 0 H VAL A 10 80.027 2.650 -16.471 1.00 0.00 H new ATOM 0 HA VAL A 10 79.938 0.045 -14.984 1.00 0.00 H new ATOM 0 HB VAL A 10 79.937 3.001 -14.191 1.00 0.00 H new ATOM 0 HG11 VAL A 10 80.672 2.146 -11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 10 79.081 1.488 -12.415 1.00 0.00 H new ATOM 0 HG13 VAL A 10 80.538 0.477 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 82.360 2.650 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 10 82.240 0.987 -14.310 1.00 0.00 H new ATOM 0 HG23 VAL A 10 82.011 2.367 -15.410 1.00 0.00 H new ATOM 39 N ILE A 11 77.564 0.034 -14.257 1.00 0.00 N ATOM 40 CA ILE A 11 76.097 -0.034 -13.954 1.00 0.00 C ATOM 41 C ILE A 11 75.864 0.390 -12.497 1.00 0.00 C ATOM 42 O ILE A 11 76.351 -0.247 -11.578 1.00 0.00 O ATOM 43 CB ILE A 11 75.694 -1.506 -14.182 1.00 0.00 C ATOM 44 CG1 ILE A 11 75.959 -1.906 -15.640 1.00 0.00 C ATOM 45 CG2 ILE A 11 74.200 -1.700 -13.888 1.00 0.00 C ATOM 46 CD1 ILE A 11 75.895 -3.429 -15.775 1.00 0.00 C ATOM 0 H ILE A 11 78.095 -0.792 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 11 75.504 0.630 -14.583 1.00 0.00 H new ATOM 0 HB ILE A 11 76.286 -2.129 -13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.222 -1.442 -16.295 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.938 -1.544 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 11 73.929 -2.743 -14.053 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.995 -1.431 -12.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 73.613 -1.064 -14.550 1.00 0.00 H new ATOM 0 HD11 ILE A 11 76.083 -3.711 -16.811 1.00 0.00 H new ATOM 0 HD12 ILE A 11 76.649 -3.883 -15.133 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.907 -3.779 -15.478 1.00 0.00 H new ATOM 58 N MET A 12 75.124 1.458 -12.294 1.00 0.00 N ATOM 59 CA MET A 12 74.836 1.937 -10.904 1.00 0.00 C ATOM 60 C MET A 12 73.572 1.264 -10.347 1.00 0.00 C ATOM 61 O MET A 12 72.475 1.492 -10.827 1.00 0.00 O ATOM 62 CB MET A 12 74.666 3.466 -11.012 1.00 0.00 C ATOM 63 CG MET A 12 73.490 3.847 -11.943 1.00 0.00 C ATOM 64 SD MET A 12 72.122 4.574 -10.996 1.00 0.00 S ATOM 65 CE MET A 12 72.920 6.155 -10.623 1.00 0.00 C ATOM 0 H MET A 12 74.706 2.020 -13.036 1.00 0.00 H new ATOM 0 HA MET A 12 75.641 1.683 -10.214 1.00 0.00 H new ATOM 0 HB2 MET A 12 74.495 3.884 -10.020 1.00 0.00 H new ATOM 0 HB3 MET A 12 75.588 3.909 -11.390 1.00 0.00 H new ATOM 0 HG2 MET A 12 73.833 4.556 -12.697 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.140 2.962 -12.474 1.00 0.00 H new ATOM 0 HE1 MET A 12 73.029 6.262 -9.544 1.00 0.00 H new ATOM 0 HE2 MET A 12 73.904 6.185 -11.091 1.00 0.00 H new ATOM 0 HE3 MET A 12 72.309 6.971 -11.009 1.00 0.00 H new ATOM 75 N SER A 13 73.732 0.433 -9.341 1.00 0.00 N ATOM 76 CA SER A 13 72.554 -0.162 -8.637 1.00 0.00 C ATOM 77 C SER A 13 72.352 0.521 -7.282 1.00 0.00 C ATOM 78 O SER A 13 73.299 0.993 -6.675 1.00 0.00 O ATOM 79 CB SER A 13 72.909 -1.637 -8.446 1.00 0.00 C ATOM 80 OG SER A 13 74.146 -1.737 -7.755 1.00 0.00 O ATOM 0 H SER A 13 74.639 0.141 -8.976 1.00 0.00 H new ATOM 0 HA SER A 13 71.629 -0.036 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.124 -2.142 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.979 -2.134 -9.413 1.00 0.00 H new ATOM 0 HG SER A 13 74.105 -2.479 -7.116 1.00 0.00 H new ATOM 86 N GLU A 14 71.126 0.572 -6.811 1.00 0.00 N ATOM 87 CA GLU A 14 70.817 1.331 -5.559 1.00 0.00 C ATOM 88 C GLU A 14 69.618 0.716 -4.831 1.00 0.00 C ATOM 89 O GLU A 14 68.708 0.193 -5.451 1.00 0.00 O ATOM 90 CB GLU A 14 70.486 2.750 -6.029 1.00 0.00 C ATOM 91 CG GLU A 14 71.769 3.580 -6.111 1.00 0.00 C ATOM 92 CD GLU A 14 71.435 5.002 -6.568 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.657 5.138 -7.498 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.965 5.931 -5.981 1.00 0.00 O ATOM 0 H GLU A 14 70.323 0.117 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 14 71.650 1.312 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 14 70.001 2.716 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.783 3.217 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.259 3.606 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.468 3.118 -6.808 1.00 0.00 H new ATOM 101 N LEU A 15 69.626 0.778 -3.519 1.00 0.00 N ATOM 102 CA LEU A 15 68.420 0.397 -2.720 1.00 0.00 C ATOM 103 C LEU A 15 67.962 1.583 -1.865 1.00 0.00 C ATOM 104 O LEU A 15 68.741 2.151 -1.118 1.00 0.00 O ATOM 105 CB LEU A 15 68.885 -0.758 -1.830 1.00 0.00 C ATOM 106 CG LEU A 15 67.676 -1.387 -1.135 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.868 -2.197 -2.150 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.158 -2.311 -0.013 1.00 0.00 C ATOM 0 H LEU A 15 70.427 1.080 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 15 67.577 0.112 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.403 -1.507 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.596 -0.395 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 15 67.048 -0.601 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.007 -2.645 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.526 -1.540 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.495 -2.984 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.298 -2.760 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.786 -3.097 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.734 -1.735 0.711 1.00 0.00 H new ATOM 120 N LYS A 16 66.707 1.955 -1.978 1.00 0.00 N ATOM 121 CA LYS A 16 66.155 3.067 -1.141 1.00 0.00 C ATOM 122 C LYS A 16 65.338 2.495 0.019 1.00 0.00 C ATOM 123 O LYS A 16 64.356 1.804 -0.191 1.00 0.00 O ATOM 124 CB LYS A 16 65.260 3.872 -2.091 1.00 0.00 C ATOM 125 CG LYS A 16 66.075 4.979 -2.771 1.00 0.00 C ATOM 126 CD LYS A 16 67.088 4.359 -3.737 1.00 0.00 C ATOM 127 CE LYS A 16 67.816 5.469 -4.499 1.00 0.00 C ATOM 128 NZ LYS A 16 68.904 5.913 -3.583 1.00 0.00 N ATOM 0 H LYS A 16 66.037 1.531 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 16 66.938 3.685 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.829 3.212 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.429 4.309 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.410 5.653 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.593 5.575 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.806 3.751 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.580 3.696 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.219 5.101 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.142 6.291 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 68.781 6.922 -3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 68.866 5.358 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 69.826 5.769 -4.043 1.00 0.00 H new ATOM 142 N LEU A 17 65.747 2.784 1.234 1.00 0.00 N ATOM 143 CA LEU A 17 65.040 2.245 2.438 1.00 0.00 C ATOM 144 C LEU A 17 64.437 3.386 3.262 1.00 0.00 C ATOM 145 O LEU A 17 64.904 4.510 3.206 1.00 0.00 O ATOM 146 CB LEU A 17 66.122 1.528 3.247 1.00 0.00 C ATOM 147 CG LEU A 17 66.538 0.243 2.528 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.915 -0.197 3.029 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.515 -0.858 2.819 1.00 0.00 C ATOM 0 H LEU A 17 66.550 3.377 1.443 1.00 0.00 H new ATOM 0 HA LEU A 17 64.220 1.581 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.986 2.180 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.749 1.294 4.244 1.00 0.00 H new ATOM 0 HG LEU A 17 66.582 0.425 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.213 -1.112 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.644 0.587 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.870 -0.379 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.811 -1.774 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.472 -1.040 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.533 -0.545 2.465 1.00 0.00 H new ATOM 161 N LYS A 18 63.405 3.095 4.021 1.00 0.00 N ATOM 162 CA LYS A 18 62.834 4.107 4.965 1.00 0.00 C ATOM 163 C LYS A 18 62.552 3.453 6.332 1.00 0.00 C ATOM 164 O LYS A 18 62.009 2.362 6.365 1.00 0.00 O ATOM 165 CB LYS A 18 61.527 4.562 4.311 1.00 0.00 C ATOM 166 CG LYS A 18 60.959 5.758 5.078 1.00 0.00 C ATOM 167 CD LYS A 18 59.562 6.088 4.548 1.00 0.00 C ATOM 168 CE LYS A 18 58.539 5.140 5.179 1.00 0.00 C ATOM 169 NZ LYS A 18 57.255 5.893 5.153 1.00 0.00 N ATOM 0 H LYS A 18 62.931 2.192 4.026 1.00 0.00 H new ATOM 0 HA LYS A 18 63.514 4.940 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.705 4.835 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.806 3.744 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.911 5.531 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.615 6.621 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.308 7.122 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.541 5.992 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.463 4.209 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.821 4.875 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.502 5.309 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.356 6.771 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.009 6.126 4.170 1.00 0.00 H new ATOM 183 N PRO A 19 62.920 4.117 7.424 1.00 0.00 N ATOM 184 CA PRO A 19 62.584 3.586 8.775 1.00 0.00 C ATOM 185 C PRO A 19 61.103 3.826 9.085 1.00 0.00 C ATOM 186 O PRO A 19 60.554 4.857 8.732 1.00 0.00 O ATOM 187 CB PRO A 19 63.474 4.394 9.716 1.00 0.00 C ATOM 188 CG PRO A 19 63.726 5.680 8.999 1.00 0.00 C ATOM 189 CD PRO A 19 63.671 5.387 7.524 1.00 0.00 C ATOM 0 HA PRO A 19 62.747 2.512 8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.983 4.566 10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.406 3.869 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.978 6.425 9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.698 6.089 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.171 6.187 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.671 5.291 7.101 1.00 0.00 H new ATOM 197 N LEU A 20 60.464 2.883 9.739 1.00 0.00 N ATOM 198 CA LEU A 20 59.027 3.064 10.141 1.00 0.00 C ATOM 199 C LEU A 20 58.847 3.996 11.379 1.00 0.00 C ATOM 200 O LEU A 20 58.013 4.880 11.283 1.00 0.00 O ATOM 201 CB LEU A 20 58.449 1.655 10.360 1.00 0.00 C ATOM 202 CG LEU A 20 58.369 0.924 9.018 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.339 -0.587 9.258 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.097 1.349 8.281 1.00 0.00 C ATOM 0 H LEU A 20 60.876 1.991 10.014 1.00 0.00 H new ATOM 0 HA LEU A 20 58.479 3.581 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.077 1.096 11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.458 1.722 10.810 1.00 0.00 H new ATOM 0 HG LEU A 20 59.241 1.177 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.282 -1.106 8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.245 -0.890 9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.468 -0.842 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.039 0.829 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.225 1.097 8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.119 2.425 8.108 1.00 0.00 H new ATOM 216 N PRO A 21 59.575 3.831 12.503 1.00 0.00 N ATOM 217 CA PRO A 21 59.558 4.906 13.543 1.00 0.00 C ATOM 218 C PRO A 21 60.292 6.148 13.025 1.00 0.00 C ATOM 219 O PRO A 21 61.040 6.072 12.065 1.00 0.00 O ATOM 220 CB PRO A 21 60.294 4.296 14.737 1.00 0.00 C ATOM 221 CG PRO A 21 61.155 3.231 14.151 1.00 0.00 C ATOM 222 CD PRO A 21 60.429 2.702 12.948 1.00 0.00 C ATOM 0 HA PRO A 21 58.549 5.225 13.805 1.00 0.00 H new ATOM 0 HB2 PRO A 21 60.891 5.045 15.258 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.594 3.883 15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.129 3.632 13.870 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.334 2.436 14.875 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.125 2.399 12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 21 59.830 1.826 13.199 1.00 0.00 H new ATOM 230 N LYS A 22 60.079 7.282 13.657 1.00 0.00 N ATOM 231 CA LYS A 22 60.751 8.546 13.210 1.00 0.00 C ATOM 232 C LYS A 22 62.169 8.623 13.792 1.00 0.00 C ATOM 233 O LYS A 22 62.388 9.200 14.845 1.00 0.00 O ATOM 234 CB LYS A 22 59.877 9.688 13.740 1.00 0.00 C ATOM 235 CG LYS A 22 60.352 11.016 13.146 1.00 0.00 C ATOM 236 CD LYS A 22 59.450 12.149 13.638 1.00 0.00 C ATOM 237 CE LYS A 22 59.749 12.438 15.111 1.00 0.00 C ATOM 238 NZ LYS A 22 58.871 13.588 15.462 1.00 0.00 N ATOM 0 H LYS A 22 59.466 7.385 14.466 1.00 0.00 H new ATOM 0 HA LYS A 22 60.851 8.596 12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.834 9.513 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.930 9.725 14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.385 11.207 13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.331 10.967 12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.615 13.045 13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.403 11.873 13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.533 11.571 15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.800 12.684 15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.019 13.846 16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.104 14.400 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.876 13.322 15.317 1.00 0.00 H new ATOM 252 N VAL A 23 63.127 8.037 13.107 1.00 0.00 N ATOM 253 CA VAL A 23 64.547 8.071 13.582 1.00 0.00 C ATOM 254 C VAL A 23 65.507 8.092 12.380 1.00 0.00 C ATOM 255 O VAL A 23 65.262 7.447 11.376 1.00 0.00 O ATOM 256 CB VAL A 23 64.713 6.800 14.442 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.490 5.531 13.606 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.119 6.766 15.051 1.00 0.00 C ATOM 0 H VAL A 23 62.982 7.533 12.232 1.00 0.00 H new ATOM 0 HA VAL A 23 64.779 8.964 14.163 1.00 0.00 H new ATOM 0 HB VAL A 23 63.965 6.828 15.234 1.00 0.00 H new ATOM 0 HG11 VAL A 23 64.614 4.652 14.239 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.482 5.541 13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.216 5.498 12.794 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.231 5.867 15.657 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.861 6.761 14.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.266 7.646 15.677 1.00 0.00 H new ATOM 268 N GLU A 24 66.590 8.830 12.489 1.00 0.00 N ATOM 269 CA GLU A 24 67.623 8.853 11.404 1.00 0.00 C ATOM 270 C GLU A 24 68.996 8.459 11.966 1.00 0.00 C ATOM 271 O GLU A 24 69.407 8.945 13.006 1.00 0.00 O ATOM 272 CB GLU A 24 67.622 10.295 10.862 1.00 0.00 C ATOM 273 CG GLU A 24 67.980 11.312 11.958 1.00 0.00 C ATOM 274 CD GLU A 24 67.974 12.722 11.365 1.00 0.00 C ATOM 275 OE1 GLU A 24 68.871 13.023 10.596 1.00 0.00 O ATOM 276 OE2 GLU A 24 67.071 13.475 11.690 1.00 0.00 O ATOM 0 H GLU A 24 66.802 9.422 13.292 1.00 0.00 H new ATOM 0 HA GLU A 24 67.403 8.139 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.336 10.377 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 24 66.639 10.530 10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.264 11.247 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.962 11.085 12.374 1.00 0.00 H new ATOM 283 N LEU A 25 69.696 7.581 11.282 1.00 0.00 N ATOM 284 CA LEU A 25 71.034 7.117 11.768 1.00 0.00 C ATOM 285 C LEU A 25 72.157 7.957 11.128 1.00 0.00 C ATOM 286 O LEU A 25 72.020 8.365 9.990 1.00 0.00 O ATOM 287 CB LEU A 25 71.139 5.658 11.320 1.00 0.00 C ATOM 288 CG LEU A 25 70.221 4.790 12.181 1.00 0.00 C ATOM 289 CD1 LEU A 25 70.082 3.405 11.544 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.822 4.647 13.583 1.00 0.00 C ATOM 0 H LEU A 25 69.393 7.164 10.402 1.00 0.00 H new ATOM 0 HA LEU A 25 71.135 7.220 12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.861 5.569 10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.169 5.313 11.407 1.00 0.00 H new ATOM 0 HG LEU A 25 69.239 5.258 12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.428 2.786 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.656 3.505 10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 25 71.064 2.936 11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.168 4.028 14.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.804 4.179 13.512 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.922 5.632 14.038 1.00 0.00 H new ATOM 302 N PRO A 26 73.238 8.199 11.864 1.00 0.00 N ATOM 303 CA PRO A 26 74.424 8.903 11.278 1.00 0.00 C ATOM 304 C PRO A 26 74.989 8.144 10.056 1.00 0.00 C ATOM 305 O PRO A 26 74.675 6.985 9.868 1.00 0.00 O ATOM 306 CB PRO A 26 75.441 8.918 12.423 1.00 0.00 C ATOM 307 CG PRO A 26 74.622 8.763 13.659 1.00 0.00 C ATOM 308 CD PRO A 26 73.471 7.877 13.287 1.00 0.00 C ATOM 0 HA PRO A 26 74.174 9.899 10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.163 8.108 12.322 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.007 9.849 12.437 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.210 8.321 14.463 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.269 9.730 14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.713 6.823 13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.591 8.085 13.895 1.00 0.00 H new ATOM 316 N PRO A 27 75.808 8.819 9.259 1.00 0.00 N ATOM 317 CA PRO A 27 76.271 8.240 7.958 1.00 0.00 C ATOM 318 C PRO A 27 77.175 7.008 8.141 1.00 0.00 C ATOM 319 O PRO A 27 77.489 6.343 7.170 1.00 0.00 O ATOM 320 CB PRO A 27 77.056 9.390 7.307 1.00 0.00 C ATOM 321 CG PRO A 27 76.633 10.613 8.049 1.00 0.00 C ATOM 322 CD PRO A 27 76.377 10.165 9.455 1.00 0.00 C ATOM 0 HA PRO A 27 75.433 7.885 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.131 9.230 7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.826 9.473 6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.408 11.378 8.017 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.737 11.049 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.293 10.137 10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.684 10.828 9.973 1.00 0.00 H new ATOM 330 N ASP A 28 77.604 6.701 9.349 1.00 0.00 N ATOM 331 CA ASP A 28 78.449 5.477 9.566 1.00 0.00 C ATOM 332 C ASP A 28 77.579 4.209 9.556 1.00 0.00 C ATOM 333 O ASP A 28 78.034 3.145 9.168 1.00 0.00 O ATOM 334 CB ASP A 28 79.158 5.669 10.921 1.00 0.00 C ATOM 335 CG ASP A 28 78.141 5.820 12.061 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.452 4.854 12.345 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.073 6.897 12.629 1.00 0.00 O ATOM 0 H ASP A 28 77.406 7.243 10.190 1.00 0.00 H new ATOM 0 HA ASP A 28 79.181 5.352 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.807 4.816 11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.796 6.552 10.879 1.00 0.00 H new ATOM 342 N PHE A 29 76.334 4.318 9.974 1.00 0.00 N ATOM 343 CA PHE A 29 75.432 3.113 10.033 1.00 0.00 C ATOM 344 C PHE A 29 75.256 2.486 8.645 1.00 0.00 C ATOM 345 O PHE A 29 75.344 1.283 8.495 1.00 0.00 O ATOM 346 CB PHE A 29 74.085 3.614 10.572 1.00 0.00 C ATOM 347 CG PHE A 29 73.982 3.536 12.074 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.636 4.511 12.889 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.233 2.483 12.683 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.541 4.433 14.313 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.137 2.404 14.107 1.00 0.00 C ATOM 352 CZ PHE A 29 73.790 3.380 14.922 1.00 0.00 C ATOM 0 H PHE A 29 75.903 5.191 10.277 1.00 0.00 H new ATOM 0 HA PHE A 29 75.856 2.339 10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.936 4.647 10.257 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.282 3.026 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.202 5.307 12.429 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.739 1.746 12.067 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.036 5.169 14.929 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.571 1.607 14.567 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.716 3.322 15.998 1.00 0.00 H new ATOM 362 N VAL A 30 75.020 3.295 7.633 1.00 0.00 N ATOM 363 CA VAL A 30 74.660 2.749 6.275 1.00 0.00 C ATOM 364 C VAL A 30 75.773 1.818 5.749 1.00 0.00 C ATOM 365 O VAL A 30 75.502 0.853 5.056 1.00 0.00 O ATOM 366 CB VAL A 30 74.457 3.984 5.367 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.762 4.779 5.226 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.975 3.536 3.982 1.00 0.00 C ATOM 0 H VAL A 30 75.061 4.313 7.688 1.00 0.00 H new ATOM 0 HA VAL A 30 73.756 2.141 6.305 1.00 0.00 H new ATOM 0 HB VAL A 30 73.707 4.628 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.594 5.643 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.090 5.117 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.530 4.143 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.833 4.410 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.719 2.877 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.030 3.002 4.081 1.00 0.00 H new ATOM 378 N ASP A 31 77.009 2.110 6.089 1.00 0.00 N ATOM 379 CA ASP A 31 78.150 1.230 5.666 1.00 0.00 C ATOM 380 C ASP A 31 78.088 -0.103 6.416 1.00 0.00 C ATOM 381 O ASP A 31 78.286 -1.155 5.834 1.00 0.00 O ATOM 382 CB ASP A 31 79.430 1.990 6.033 1.00 0.00 C ATOM 383 CG ASP A 31 80.638 1.287 5.412 1.00 0.00 C ATOM 384 OD1 ASP A 31 80.952 1.588 4.272 1.00 0.00 O ATOM 385 OD2 ASP A 31 81.229 0.459 6.086 1.00 0.00 O ATOM 0 H ASP A 31 77.278 2.923 6.643 1.00 0.00 H new ATOM 0 HA ASP A 31 78.114 1.008 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.370 3.018 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.540 2.036 7.116 1.00 0.00 H new ATOM 390 N VAL A 32 77.805 -0.062 7.700 1.00 0.00 N ATOM 391 CA VAL A 32 77.787 -1.322 8.524 1.00 0.00 C ATOM 392 C VAL A 32 76.599 -2.196 8.093 1.00 0.00 C ATOM 393 O VAL A 32 76.716 -3.407 8.006 1.00 0.00 O ATOM 394 CB VAL A 32 77.654 -0.881 9.997 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.663 -2.105 10.921 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.826 0.029 10.382 1.00 0.00 C ATOM 0 H VAL A 32 77.585 0.790 8.215 1.00 0.00 H new ATOM 0 HA VAL A 32 78.692 -1.914 8.389 1.00 0.00 H new ATOM 0 HB VAL A 32 76.713 -0.342 10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.569 -1.780 11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.828 -2.758 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.599 -2.649 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.723 0.335 11.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.764 -0.512 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.826 0.912 9.743 1.00 0.00 H new ATOM 406 N ILE A 33 75.465 -1.587 7.820 1.00 0.00 N ATOM 407 CA ILE A 33 74.264 -2.359 7.337 1.00 0.00 C ATOM 408 C ILE A 33 74.572 -3.010 5.975 1.00 0.00 C ATOM 409 O ILE A 33 74.238 -4.158 5.745 1.00 0.00 O ATOM 410 CB ILE A 33 73.117 -1.325 7.229 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.814 -0.707 8.615 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.841 -1.975 6.667 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.385 -1.777 9.633 1.00 0.00 C ATOM 0 H ILE A 33 75.317 -0.582 7.911 1.00 0.00 H new ATOM 0 HA ILE A 33 73.991 -3.169 8.014 1.00 0.00 H new ATOM 0 HB ILE A 33 73.440 -0.539 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.699 -0.188 8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 33 72.025 0.039 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.051 -1.227 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 33 72.044 -2.377 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.523 -2.782 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.181 -1.304 10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.485 -2.278 9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.185 -2.508 9.751 1.00 0.00 H new ATOM 425 N ARG A 34 75.207 -2.280 5.082 1.00 0.00 N ATOM 426 CA ARG A 34 75.581 -2.847 3.735 1.00 0.00 C ATOM 427 C ARG A 34 76.480 -4.085 3.885 1.00 0.00 C ATOM 428 O ARG A 34 76.313 -5.063 3.176 1.00 0.00 O ATOM 429 CB ARG A 34 76.341 -1.730 3.009 1.00 0.00 C ATOM 430 CG ARG A 34 76.528 -2.107 1.538 1.00 0.00 C ATOM 431 CD ARG A 34 77.165 -0.931 0.788 1.00 0.00 C ATOM 432 NE ARG A 34 78.588 -0.865 1.266 1.00 0.00 N ATOM 433 CZ ARG A 34 79.542 -0.277 0.565 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.315 0.307 -0.593 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.756 -0.268 1.043 1.00 0.00 N ATOM 0 H ARG A 34 75.485 -1.309 5.227 1.00 0.00 H new ATOM 0 HA ARG A 34 74.695 -3.165 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.791 -0.792 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.311 -1.571 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.160 -2.991 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.567 -2.360 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.121 -1.085 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.638 -0.001 0.999 1.00 0.00 H new ATOM 0 HE ARG A 34 78.826 -1.289 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.372 0.318 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.082 0.749 -1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.954 -0.709 1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.507 0.180 0.519 1.00 0.00 H new ATOM 449 N ILE A 35 77.421 -4.044 4.803 1.00 0.00 N ATOM 450 CA ILE A 35 78.346 -5.215 5.017 1.00 0.00 C ATOM 451 C ILE A 35 77.549 -6.425 5.538 1.00 0.00 C ATOM 452 O ILE A 35 77.794 -7.547 5.135 1.00 0.00 O ATOM 453 CB ILE A 35 79.392 -4.740 6.051 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.194 -3.571 5.472 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.365 -5.875 6.399 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.927 -2.844 6.601 1.00 0.00 C ATOM 0 H ILE A 35 77.591 -3.248 5.417 1.00 0.00 H new ATOM 0 HA ILE A 35 78.831 -5.533 4.094 1.00 0.00 H new ATOM 0 HB ILE A 35 78.864 -4.429 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.910 -3.937 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.528 -2.881 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.093 -5.519 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.810 -6.714 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.884 -6.199 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.498 -2.012 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.202 -2.465 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.605 -3.537 7.100 1.00 0.00 H new ATOM 468 N LYS A 36 76.613 -6.194 6.429 1.00 0.00 N ATOM 469 CA LYS A 36 75.747 -7.312 6.942 1.00 0.00 C ATOM 470 C LYS A 36 74.860 -7.878 5.825 1.00 0.00 C ATOM 471 O LYS A 36 74.659 -9.076 5.738 1.00 0.00 O ATOM 472 CB LYS A 36 74.875 -6.700 8.046 1.00 0.00 C ATOM 473 CG LYS A 36 75.758 -6.240 9.210 1.00 0.00 C ATOM 474 CD LYS A 36 76.299 -7.460 9.959 1.00 0.00 C ATOM 475 CE LYS A 36 77.018 -7.002 11.229 1.00 0.00 C ATOM 476 NZ LYS A 36 77.668 -8.230 11.766 1.00 0.00 N ATOM 0 H LYS A 36 76.409 -5.277 6.826 1.00 0.00 H new ATOM 0 HA LYS A 36 76.355 -8.136 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.311 -5.856 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.148 -7.433 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.584 -5.635 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.183 -5.610 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.482 -8.135 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 76.985 -8.017 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 36 77.755 -6.229 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.317 -6.579 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 78.182 -7.997 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 76.942 -8.945 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 78.334 -8.606 11.062 1.00 0.00 H new ATOM 490 N LEU A 37 74.338 -7.023 4.974 1.00 0.00 N ATOM 491 CA LEU A 37 73.224 -7.436 4.056 1.00 0.00 C ATOM 492 C LEU A 37 73.755 -8.023 2.741 1.00 0.00 C ATOM 493 O LEU A 37 73.104 -8.855 2.137 1.00 0.00 O ATOM 494 CB LEU A 37 72.430 -6.156 3.779 1.00 0.00 C ATOM 495 CG LEU A 37 71.459 -5.894 4.931 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.986 -4.440 4.877 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.252 -6.826 4.804 1.00 0.00 C ATOM 0 H LEU A 37 74.637 -6.053 4.875 1.00 0.00 H new ATOM 0 HA LEU A 37 72.614 -8.216 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 37 73.110 -5.312 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.881 -6.252 2.842 1.00 0.00 H new ATOM 0 HG LEU A 37 71.963 -6.079 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.294 -4.252 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.845 -3.775 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.482 -4.256 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.560 -6.639 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.748 -6.641 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.587 -7.863 4.841 1.00 0.00 H new ATOM 509 N GLN A 38 74.923 -7.597 2.295 1.00 0.00 N ATOM 510 CA GLN A 38 75.443 -7.998 0.929 1.00 0.00 C ATOM 511 C GLN A 38 75.382 -9.522 0.698 1.00 0.00 C ATOM 512 O GLN A 38 75.595 -10.302 1.610 1.00 0.00 O ATOM 513 CB GLN A 38 76.901 -7.502 0.862 1.00 0.00 C ATOM 514 CG GLN A 38 77.746 -8.127 1.981 1.00 0.00 C ATOM 515 CD GLN A 38 79.169 -7.568 1.921 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.349 -6.276 1.882 1.00 0.00 O flip ATOM 517 NE2 GLN A 38 80.127 -8.315 1.908 1.00 0.00 N flip ATOM 0 H GLN A 38 75.546 -6.984 2.821 1.00 0.00 H new ATOM 0 HA GLN A 38 74.823 -7.556 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.331 -7.754 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.924 -6.416 0.948 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.300 -7.911 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.765 -9.212 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.987 -9.325 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 38 81.072 -7.932 1.867 1.00 0.00 H new ATOM 526 N GLY A 39 75.096 -9.929 -0.519 1.00 0.00 N ATOM 527 CA GLY A 39 74.911 -11.382 -0.828 1.00 0.00 C ATOM 528 C GLY A 39 73.423 -11.760 -0.793 1.00 0.00 C ATOM 529 O GLY A 39 73.016 -12.704 -1.449 1.00 0.00 O ATOM 0 H GLY A 39 74.982 -9.307 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.325 -11.605 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.462 -11.985 -0.106 1.00 0.00 H new ATOM 533 N LYS A 40 72.617 -11.041 -0.041 1.00 0.00 N ATOM 534 CA LYS A 40 71.142 -11.309 -0.021 1.00 0.00 C ATOM 535 C LYS A 40 70.443 -10.482 -1.103 1.00 0.00 C ATOM 536 O LYS A 40 70.935 -9.441 -1.506 1.00 0.00 O ATOM 537 CB LYS A 40 70.667 -10.881 1.370 1.00 0.00 C ATOM 538 CG LYS A 40 71.259 -11.817 2.425 1.00 0.00 C ATOM 539 CD LYS A 40 70.831 -11.354 3.819 1.00 0.00 C ATOM 540 CE LYS A 40 69.374 -11.754 4.064 1.00 0.00 C ATOM 541 NZ LYS A 40 68.872 -10.775 5.069 1.00 0.00 N ATOM 0 H LYS A 40 72.921 -10.277 0.562 1.00 0.00 H new ATOM 0 HA LYS A 40 70.914 -12.357 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.971 -9.853 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.578 -10.906 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.921 -12.838 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.346 -11.824 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 40 71.475 -11.802 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.942 -10.273 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 40 68.792 -11.709 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 69.302 -12.776 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 67.877 -10.983 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.441 -10.845 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 68.947 -9.812 4.683 1.00 0.00 H new ATOM 555 N THR A 41 69.304 -10.944 -1.570 1.00 0.00 N ATOM 556 CA THR A 41 68.557 -10.213 -2.640 1.00 0.00 C ATOM 557 C THR A 41 67.407 -9.407 -2.032 1.00 0.00 C ATOM 558 O THR A 41 66.822 -9.802 -1.038 1.00 0.00 O ATOM 559 CB THR A 41 68.016 -11.308 -3.562 1.00 0.00 C ATOM 560 OG1 THR A 41 69.070 -12.195 -3.907 1.00 0.00 O ATOM 561 CG2 THR A 41 67.445 -10.674 -4.831 1.00 0.00 C ATOM 0 H THR A 41 68.859 -11.804 -1.251 1.00 0.00 H new ATOM 0 HA THR A 41 69.190 -9.504 -3.174 1.00 0.00 H new ATOM 0 HB THR A 41 67.228 -11.859 -3.049 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.726 -12.898 -4.496 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.060 -11.455 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.637 -9.992 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.230 -10.122 -5.347 1.00 0.00 H new ATOM 569 N VAL A 42 67.087 -8.282 -2.630 1.00 0.00 N ATOM 570 CA VAL A 42 66.010 -7.392 -2.088 1.00 0.00 C ATOM 571 C VAL A 42 65.024 -7.015 -3.200 1.00 0.00 C ATOM 572 O VAL A 42 65.422 -6.764 -4.326 1.00 0.00 O ATOM 573 CB VAL A 42 66.723 -6.140 -1.541 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.620 -6.537 -0.365 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.583 -5.471 -2.626 1.00 0.00 C ATOM 0 H VAL A 42 67.532 -7.939 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 42 65.435 -7.888 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 42 65.962 -5.431 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.125 -5.652 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 42 67.012 -6.982 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.363 -7.260 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.073 -4.591 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.338 -6.175 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.949 -5.173 -3.461 1.00 0.00 H new ATOM 585 N ARG A 43 63.750 -6.981 -2.883 1.00 0.00 N ATOM 586 CA ARG A 43 62.720 -6.528 -3.867 1.00 0.00 C ATOM 587 C ARG A 43 61.725 -5.583 -3.184 1.00 0.00 C ATOM 588 O ARG A 43 61.472 -5.694 -1.997 1.00 0.00 O ATOM 589 CB ARG A 43 62.019 -7.809 -4.324 1.00 0.00 C ATOM 590 CG ARG A 43 61.094 -7.495 -5.502 1.00 0.00 C ATOM 591 CD ARG A 43 60.327 -8.760 -5.903 1.00 0.00 C ATOM 592 NE ARG A 43 59.508 -8.378 -7.104 1.00 0.00 N ATOM 593 CZ ARG A 43 59.065 -9.273 -7.971 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.294 -10.562 -7.841 1.00 0.00 N ATOM 595 NH2 ARG A 43 58.366 -8.862 -8.993 1.00 0.00 N ATOM 0 H ARG A 43 63.378 -7.252 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 43 63.155 -5.983 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.758 -8.555 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.445 -8.235 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.395 -6.705 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.676 -7.127 -6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.012 -9.574 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.690 -9.106 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 43 59.286 -7.394 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 43 59.833 -10.907 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.933 -11.217 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.171 -7.868 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 43 58.014 -9.535 -9.674 1.00 0.00 H new ATOM 609 N THR A 44 61.159 -4.658 -3.930 1.00 0.00 N ATOM 610 CA THR A 44 60.262 -3.603 -3.326 1.00 0.00 C ATOM 611 C THR A 44 59.122 -4.230 -2.508 1.00 0.00 C ATOM 612 O THR A 44 58.511 -5.197 -2.929 1.00 0.00 O ATOM 613 CB THR A 44 59.680 -2.829 -4.515 1.00 0.00 C ATOM 614 OG1 THR A 44 60.724 -2.498 -5.419 1.00 0.00 O ATOM 615 CG2 THR A 44 59.014 -1.548 -4.013 1.00 0.00 C ATOM 0 H THR A 44 61.279 -4.585 -4.940 1.00 0.00 H new ATOM 0 HA THR A 44 60.822 -2.964 -2.643 1.00 0.00 H new ATOM 0 HB THR A 44 58.940 -3.446 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.353 -2.005 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.600 -0.998 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.213 -1.802 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.753 -0.929 -3.504 1.00 0.00 H new ATOM 623 N GLY A 45 58.843 -3.679 -1.347 1.00 0.00 N ATOM 624 CA GLY A 45 57.689 -4.156 -0.522 1.00 0.00 C ATOM 625 C GLY A 45 58.153 -5.115 0.587 1.00 0.00 C ATOM 626 O GLY A 45 57.421 -5.346 1.535 1.00 0.00 O ATOM 0 H GLY A 45 59.373 -2.911 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.180 -3.301 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.965 -4.660 -1.162 1.00 0.00 H new ATOM 630 N ASP A 46 59.346 -5.674 0.487 1.00 0.00 N ATOM 631 CA ASP A 46 59.863 -6.579 1.574 1.00 0.00 C ATOM 632 C ASP A 46 60.037 -5.807 2.887 1.00 0.00 C ATOM 633 O ASP A 46 60.258 -4.608 2.880 1.00 0.00 O ATOM 634 CB ASP A 46 61.224 -7.094 1.090 1.00 0.00 C ATOM 635 CG ASP A 46 61.028 -8.081 -0.064 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.111 -8.884 0.010 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.807 -8.021 -1.000 1.00 0.00 O ATOM 0 H ASP A 46 59.981 -5.542 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 46 59.165 -7.394 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.844 -6.259 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.751 -7.581 1.911 1.00 0.00 H new ATOM 642 N VAL A 47 59.937 -6.492 4.003 1.00 0.00 N ATOM 643 CA VAL A 47 60.131 -5.832 5.336 1.00 0.00 C ATOM 644 C VAL A 47 61.049 -6.705 6.205 1.00 0.00 C ATOM 645 O VAL A 47 60.873 -7.908 6.278 1.00 0.00 O ATOM 646 CB VAL A 47 58.721 -5.715 5.953 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.797 -5.027 7.322 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.813 -4.879 5.042 1.00 0.00 C ATOM 0 H VAL A 47 59.727 -7.489 4.048 1.00 0.00 H new ATOM 0 HA VAL A 47 60.599 -4.851 5.255 1.00 0.00 H new ATOM 0 HB VAL A 47 58.314 -6.720 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.796 -4.950 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.430 -5.612 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.219 -4.029 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.821 -4.803 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.235 -3.881 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.737 -5.358 4.066 1.00 0.00 H new ATOM 658 N ILE A 48 62.018 -6.099 6.853 1.00 0.00 N ATOM 659 CA ILE A 48 62.948 -6.869 7.744 1.00 0.00 C ATOM 660 C ILE A 48 63.201 -6.097 9.045 1.00 0.00 C ATOM 661 O ILE A 48 63.105 -4.884 9.077 1.00 0.00 O ATOM 662 CB ILE A 48 64.254 -7.070 6.947 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.873 -5.722 6.525 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.963 -7.910 5.699 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.814 -5.210 7.621 1.00 0.00 C ATOM 0 H ILE A 48 62.206 -5.098 6.803 1.00 0.00 H new ATOM 0 HA ILE A 48 62.523 -7.831 8.029 1.00 0.00 H new ATOM 0 HB ILE A 48 64.969 -7.583 7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.421 -5.841 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.084 -4.992 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.884 -8.053 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.566 -8.880 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.232 -7.395 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.246 -4.258 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.254 -5.073 8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.612 -5.935 7.784 1.00 0.00 H new ATOM 677 N GLY A 49 63.516 -6.802 10.110 1.00 0.00 N ATOM 678 CA GLY A 49 63.726 -6.144 11.438 1.00 0.00 C ATOM 679 C GLY A 49 65.208 -6.202 11.816 1.00 0.00 C ATOM 680 O GLY A 49 65.879 -7.186 11.554 1.00 0.00 O ATOM 0 H GLY A 49 63.637 -7.815 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.392 -5.107 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.127 -6.642 12.200 1.00 0.00 H new ATOM 684 N ILE A 50 65.714 -5.153 12.426 1.00 0.00 N ATOM 685 CA ILE A 50 67.130 -5.154 12.916 1.00 0.00 C ATOM 686 C ILE A 50 67.155 -4.739 14.395 1.00 0.00 C ATOM 687 O ILE A 50 66.476 -3.809 14.792 1.00 0.00 O ATOM 688 CB ILE A 50 67.878 -4.132 12.034 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.817 -4.564 10.561 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.352 -4.044 12.455 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.271 -3.411 9.662 1.00 0.00 C ATOM 0 H ILE A 50 65.201 -4.290 12.606 1.00 0.00 H new ATOM 0 HA ILE A 50 67.598 -6.136 12.848 1.00 0.00 H new ATOM 0 HB ILE A 50 67.400 -3.160 12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.454 -5.434 10.401 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.801 -4.861 10.302 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.868 -3.320 11.825 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.415 -3.729 13.496 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.821 -5.021 12.343 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.226 -3.723 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.616 -2.553 9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.295 -3.135 9.914 1.00 0.00 H new ATOM 703 N SER A 51 67.928 -5.432 15.200 1.00 0.00 N ATOM 704 CA SER A 51 68.165 -4.986 16.612 1.00 0.00 C ATOM 705 C SER A 51 69.388 -4.067 16.678 1.00 0.00 C ATOM 706 O SER A 51 70.475 -4.453 16.284 1.00 0.00 O ATOM 707 CB SER A 51 68.423 -6.270 17.404 1.00 0.00 C ATOM 708 OG SER A 51 68.601 -5.948 18.777 1.00 0.00 O ATOM 0 H SER A 51 68.408 -6.293 14.937 1.00 0.00 H new ATOM 0 HA SER A 51 67.319 -4.426 17.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.586 -6.958 17.286 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.309 -6.776 17.020 1.00 0.00 H new ATOM 0 HG SER A 51 68.765 -6.769 19.287 1.00 0.00 H new ATOM 714 N ILE A 52 69.213 -2.861 17.171 1.00 0.00 N ATOM 715 CA ILE A 52 70.360 -1.900 17.284 1.00 0.00 C ATOM 716 C ILE A 52 70.406 -1.324 18.708 1.00 0.00 C ATOM 717 O ILE A 52 69.431 -0.783 19.196 1.00 0.00 O ATOM 718 CB ILE A 52 70.085 -0.793 16.243 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.000 -1.399 14.834 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.219 0.242 16.261 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.418 -0.369 13.860 1.00 0.00 C ATOM 0 H ILE A 52 68.319 -2.499 17.502 1.00 0.00 H new ATOM 0 HA ILE A 52 71.323 -2.376 17.097 1.00 0.00 H new ATOM 0 HB ILE A 52 69.140 -0.313 16.497 1.00 0.00 H new ATOM 0 HG12 ILE A 52 70.991 -1.709 14.501 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.375 -2.292 14.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.015 1.018 15.523 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.286 0.692 17.252 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.163 -0.248 16.021 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.360 -0.804 12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.420 -0.081 14.189 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.060 0.512 13.835 1.00 0.00 H new ATOM 733 N LEU A 53 71.541 -1.442 19.371 1.00 0.00 N ATOM 734 CA LEU A 53 71.756 -0.806 20.723 1.00 0.00 C ATOM 735 C LEU A 53 70.630 -1.164 21.709 1.00 0.00 C ATOM 736 O LEU A 53 70.275 -0.372 22.566 1.00 0.00 O ATOM 737 CB LEU A 53 71.791 0.708 20.470 1.00 0.00 C ATOM 738 CG LEU A 53 73.018 1.057 19.623 1.00 0.00 C ATOM 739 CD1 LEU A 53 72.886 2.489 19.098 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.278 0.945 20.483 1.00 0.00 C ATOM 0 H LEU A 53 72.346 -1.964 19.024 1.00 0.00 H new ATOM 0 HA LEU A 53 72.679 -1.166 21.178 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.881 1.023 19.958 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.826 1.245 21.418 1.00 0.00 H new ATOM 0 HG LEU A 53 73.087 0.367 18.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.759 2.737 18.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.988 2.571 18.486 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.817 3.180 19.938 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.152 1.193 19.881 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.208 1.636 21.323 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.373 -0.074 20.858 1.00 0.00 H new ATOM 752 N GLY A 54 70.076 -2.349 21.584 1.00 0.00 N ATOM 753 CA GLY A 54 68.997 -2.798 22.519 1.00 0.00 C ATOM 754 C GLY A 54 67.654 -2.150 22.144 1.00 0.00 C ATOM 755 O GLY A 54 66.783 -2.018 22.986 1.00 0.00 O ATOM 0 H GLY A 54 70.329 -3.029 20.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.906 -3.884 22.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.262 -2.533 23.543 1.00 0.00 H new ATOM 759 N LYS A 55 67.480 -1.747 20.899 1.00 0.00 N ATOM 760 CA LYS A 55 66.195 -1.114 20.470 1.00 0.00 C ATOM 761 C LYS A 55 65.721 -1.733 19.151 1.00 0.00 C ATOM 762 O LYS A 55 66.478 -1.821 18.200 1.00 0.00 O ATOM 763 CB LYS A 55 66.530 0.366 20.279 1.00 0.00 C ATOM 764 CG LYS A 55 65.240 1.161 20.059 1.00 0.00 C ATOM 765 CD LYS A 55 65.583 2.631 19.808 1.00 0.00 C ATOM 766 CE LYS A 55 64.295 3.453 19.741 1.00 0.00 C ATOM 767 NZ LYS A 55 64.740 4.872 19.826 1.00 0.00 N ATOM 0 H LYS A 55 68.181 -1.833 20.163 1.00 0.00 H new ATOM 0 HA LYS A 55 65.396 -1.260 21.196 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.058 0.745 21.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.196 0.491 19.425 1.00 0.00 H new ATOM 0 HG2 LYS A 55 64.690 0.755 19.210 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.592 1.071 20.931 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.225 3.006 20.605 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.139 2.731 18.876 1.00 0.00 H new ATOM 0 HE2 LYS A 55 63.754 3.264 18.814 1.00 0.00 H new ATOM 0 HE3 LYS A 55 63.622 3.200 20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 63.911 5.499 19.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 65.246 5.024 20.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 65.374 5.085 19.029 1.00 0.00 H new ATOM 781 N GLU A 56 64.480 -2.161 19.098 1.00 0.00 N ATOM 782 CA GLU A 56 63.940 -2.796 17.850 1.00 0.00 C ATOM 783 C GLU A 56 63.535 -1.720 16.838 1.00 0.00 C ATOM 784 O GLU A 56 62.779 -0.818 17.156 1.00 0.00 O ATOM 785 CB GLU A 56 62.713 -3.600 18.292 1.00 0.00 C ATOM 786 CG GLU A 56 62.242 -4.491 17.141 1.00 0.00 C ATOM 787 CD GLU A 56 60.933 -5.181 17.527 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.063 -4.507 18.057 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.819 -6.372 17.286 1.00 0.00 O ATOM 0 H GLU A 56 63.815 -2.098 19.869 1.00 0.00 H new ATOM 0 HA GLU A 56 64.683 -3.429 17.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.959 -4.211 19.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.912 -2.925 18.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.098 -3.893 16.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.003 -5.236 16.910 1.00 0.00 H new ATOM 796 N VAL A 57 64.036 -1.816 15.627 1.00 0.00 N ATOM 797 CA VAL A 57 63.598 -0.889 14.533 1.00 0.00 C ATOM 798 C VAL A 57 63.143 -1.704 13.311 1.00 0.00 C ATOM 799 O VAL A 57 63.821 -2.623 12.885 1.00 0.00 O ATOM 800 CB VAL A 57 64.829 -0.005 14.222 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.028 -0.857 13.785 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.493 0.995 13.108 1.00 0.00 C ATOM 0 H VAL A 57 64.736 -2.504 15.348 1.00 0.00 H new ATOM 0 HA VAL A 57 62.748 -0.270 14.819 1.00 0.00 H new ATOM 0 HB VAL A 57 65.092 0.530 15.135 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.878 -0.208 13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.291 -1.551 14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.768 -1.418 12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.367 1.612 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.206 0.453 12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.668 1.631 13.427 1.00 0.00 H new ATOM 812 N LYS A 58 61.997 -1.367 12.761 1.00 0.00 N ATOM 813 CA LYS A 58 61.513 -2.038 11.515 1.00 0.00 C ATOM 814 C LYS A 58 61.888 -1.207 10.284 1.00 0.00 C ATOM 815 O LYS A 58 61.698 -0.003 10.265 1.00 0.00 O ATOM 816 CB LYS A 58 59.991 -2.111 11.664 1.00 0.00 C ATOM 817 CG LYS A 58 59.633 -3.069 12.803 1.00 0.00 C ATOM 818 CD LYS A 58 58.125 -3.332 12.797 1.00 0.00 C ATOM 819 CE LYS A 58 57.385 -2.087 13.291 1.00 0.00 C ATOM 820 NZ LYS A 58 55.944 -2.377 13.054 1.00 0.00 N ATOM 0 H LYS A 58 61.373 -0.649 13.128 1.00 0.00 H new ATOM 0 HA LYS A 58 61.958 -3.024 11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.587 -1.119 11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.540 -2.453 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.176 -4.007 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.934 -2.642 13.759 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.794 -3.589 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.892 -4.184 13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.582 -1.904 14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 58 57.703 -1.197 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 55.371 -1.568 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 55.785 -2.541 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 55.668 -3.225 13.589 1.00 0.00 H new ATOM 834 N PHE A 59 62.416 -1.846 9.264 1.00 0.00 N ATOM 835 CA PHE A 59 62.791 -1.122 8.009 1.00 0.00 C ATOM 836 C PHE A 59 61.985 -1.663 6.826 1.00 0.00 C ATOM 837 O PHE A 59 61.897 -2.864 6.631 1.00 0.00 O ATOM 838 CB PHE A 59 64.280 -1.412 7.812 1.00 0.00 C ATOM 839 CG PHE A 59 65.185 -0.550 8.659 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.427 0.811 8.290 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.804 -1.094 9.826 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.287 1.625 9.090 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.664 -0.280 10.624 1.00 0.00 C ATOM 844 CZ PHE A 59 66.905 1.079 10.258 1.00 0.00 C ATOM 0 H PHE A 59 62.604 -2.848 9.250 1.00 0.00 H new ATOM 0 HA PHE A 59 62.587 -0.053 8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.470 -2.460 8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.533 -1.267 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.960 1.223 7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.621 -2.121 10.105 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.470 2.653 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.133 -0.693 11.505 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.554 1.694 10.863 1.00 0.00 H new ATOM 854 N LYS A 60 61.403 -0.783 6.042 1.00 0.00 N ATOM 855 CA LYS A 60 60.673 -1.213 4.810 1.00 0.00 C ATOM 856 C LYS A 60 61.493 -0.872 3.562 1.00 0.00 C ATOM 857 O LYS A 60 62.134 0.162 3.504 1.00 0.00 O ATOM 858 CB LYS A 60 59.367 -0.418 4.823 1.00 0.00 C ATOM 859 CG LYS A 60 58.415 -0.988 3.769 1.00 0.00 C ATOM 860 CD LYS A 60 57.141 -0.144 3.718 1.00 0.00 C ATOM 861 CE LYS A 60 56.117 -0.819 2.800 1.00 0.00 C ATOM 862 NZ LYS A 60 55.421 -1.811 3.667 1.00 0.00 N ATOM 0 H LYS A 60 61.404 0.223 6.207 1.00 0.00 H new ATOM 0 HA LYS A 60 60.496 -2.288 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.907 -0.469 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.566 0.634 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.899 -0.993 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.169 -2.022 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.727 -0.030 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.370 0.857 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 60 55.416 -0.093 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.604 -1.306 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 55.185 -2.655 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.044 -2.081 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 54.548 -1.390 4.044 1.00 0.00 H new ATOM 876 N VAL A 61 61.471 -1.738 2.574 1.00 0.00 N ATOM 877 CA VAL A 61 62.191 -1.459 1.287 1.00 0.00 C ATOM 878 C VAL A 61 61.289 -0.607 0.384 1.00 0.00 C ATOM 879 O VAL A 61 60.254 -1.065 -0.070 1.00 0.00 O ATOM 880 CB VAL A 61 62.476 -2.835 0.648 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.252 -2.659 -0.664 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.320 -3.695 1.600 1.00 0.00 C ATOM 0 H VAL A 61 60.982 -2.632 2.604 1.00 0.00 H new ATOM 0 HA VAL A 61 63.120 -0.910 1.439 1.00 0.00 H new ATOM 0 HB VAL A 61 61.522 -3.324 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.447 -3.636 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.663 -2.059 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.198 -2.157 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.515 -4.663 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.266 -3.192 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.779 -3.841 2.535 1.00 0.00 H new ATOM 892 N VAL A 62 61.689 0.617 0.124 1.00 0.00 N ATOM 893 CA VAL A 62 60.803 1.575 -0.617 1.00 0.00 C ATOM 894 C VAL A 62 60.859 1.255 -2.114 1.00 0.00 C ATOM 895 O VAL A 62 59.843 1.252 -2.787 1.00 0.00 O ATOM 896 CB VAL A 62 61.357 2.988 -0.331 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.486 4.047 -1.017 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.357 3.263 1.177 1.00 0.00 C ATOM 0 H VAL A 62 62.596 0.996 0.395 1.00 0.00 H new ATOM 0 HA VAL A 62 59.762 1.504 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 62 62.375 3.037 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.887 5.039 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.485 3.876 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.466 3.980 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.750 4.262 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.338 3.196 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.983 2.527 1.681 1.00 0.00 H new ATOM 908 N GLN A 63 62.042 0.991 -2.630 1.00 0.00 N ATOM 909 CA GLN A 63 62.190 0.675 -4.088 1.00 0.00 C ATOM 910 C GLN A 63 63.558 0.047 -4.368 1.00 0.00 C ATOM 911 O GLN A 63 64.570 0.508 -3.869 1.00 0.00 O ATOM 912 CB GLN A 63 62.066 2.021 -4.809 1.00 0.00 C ATOM 913 CG GLN A 63 61.741 1.782 -6.284 1.00 0.00 C ATOM 914 CD GLN A 63 61.218 3.077 -6.907 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.883 4.093 -6.875 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.043 3.084 -7.477 1.00 0.00 N ATOM 0 H GLN A 63 62.913 0.982 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 63 61.439 -0.040 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.284 2.623 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.996 2.582 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.632 1.445 -6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.995 0.993 -6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.484 2.231 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.684 3.942 -7.895 1.00 0.00 H new ATOM 925 N ALA A 64 63.582 -1.002 -5.160 1.00 0.00 N ATOM 926 CA ALA A 64 64.876 -1.605 -5.602 1.00 0.00 C ATOM 927 C ALA A 64 65.171 -1.216 -7.054 1.00 0.00 C ATOM 928 O ALA A 64 64.297 -1.265 -7.901 1.00 0.00 O ATOM 929 CB ALA A 64 64.668 -3.117 -5.482 1.00 0.00 C ATOM 0 H ALA A 64 62.750 -1.468 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 64 65.720 -1.261 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.577 -3.635 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.438 -3.372 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.841 -3.423 -6.124 1.00 0.00 H new ATOM 935 N TYR A 65 66.395 -0.829 -7.337 1.00 0.00 N ATOM 936 CA TYR A 65 66.787 -0.467 -8.737 1.00 0.00 C ATOM 937 C TYR A 65 68.074 -1.222 -9.138 1.00 0.00 C ATOM 938 O TYR A 65 69.095 -1.001 -8.518 1.00 0.00 O ATOM 939 CB TYR A 65 67.047 1.044 -8.696 1.00 0.00 C ATOM 940 CG TYR A 65 65.823 1.878 -8.996 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.059 1.624 -10.178 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.433 2.923 -8.103 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.906 2.418 -10.467 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.279 3.716 -8.393 1.00 0.00 C ATOM 945 CZ TYR A 65 63.515 3.463 -9.575 1.00 0.00 C ATOM 946 OH TYR A 65 62.403 4.230 -9.857 1.00 0.00 O ATOM 0 H TYR A 65 67.145 -0.748 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 65 66.019 -0.731 -9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.426 1.312 -7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.828 1.289 -9.415 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.353 0.833 -10.852 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.009 3.114 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.330 2.228 -11.361 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.984 4.507 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 65 61.977 4.508 -9.020 1.00 0.00 H new ATOM 956 N PRO A 66 68.037 -2.088 -10.146 1.00 0.00 N ATOM 957 CA PRO A 66 66.779 -2.676 -10.719 1.00 0.00 C ATOM 958 C PRO A 66 66.165 -3.673 -9.733 1.00 0.00 C ATOM 959 O PRO A 66 66.824 -4.118 -8.813 1.00 0.00 O ATOM 960 CB PRO A 66 67.265 -3.393 -11.979 1.00 0.00 C ATOM 961 CG PRO A 66 68.689 -3.724 -11.692 1.00 0.00 C ATOM 962 CD PRO A 66 69.224 -2.602 -10.849 1.00 0.00 C ATOM 0 HA PRO A 66 66.009 -1.932 -10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.680 -4.292 -12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.175 -2.756 -12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.768 -4.676 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.259 -3.821 -12.616 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.981 -2.955 -10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.691 -1.830 -11.461 1.00 0.00 H new ATOM 970 N SER A 67 64.911 -4.021 -9.922 1.00 0.00 N ATOM 971 CA SER A 67 64.250 -5.018 -9.024 1.00 0.00 C ATOM 972 C SER A 67 64.171 -6.391 -9.725 1.00 0.00 C ATOM 973 O SER A 67 63.954 -6.432 -10.920 1.00 0.00 O ATOM 974 CB SER A 67 62.845 -4.466 -8.785 1.00 0.00 C ATOM 975 OG SER A 67 62.909 -3.397 -7.853 1.00 0.00 O ATOM 0 H SER A 67 64.317 -3.653 -10.665 1.00 0.00 H new ATOM 0 HA SER A 67 64.798 -5.161 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.415 -4.119 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.193 -5.253 -8.407 1.00 0.00 H new ATOM 0 HG SER A 67 63.571 -2.740 -8.154 1.00 0.00 H new ATOM 981 N PRO A 68 64.342 -7.490 -8.998 1.00 0.00 N ATOM 982 CA PRO A 68 65.123 -7.539 -7.717 1.00 0.00 C ATOM 983 C PRO A 68 66.621 -7.369 -7.996 1.00 0.00 C ATOM 984 O PRO A 68 67.062 -7.492 -9.126 1.00 0.00 O ATOM 985 CB PRO A 68 64.828 -8.936 -7.173 1.00 0.00 C ATOM 986 CG PRO A 68 64.501 -9.742 -8.384 1.00 0.00 C ATOM 987 CD PRO A 68 63.799 -8.814 -9.333 1.00 0.00 C ATOM 0 HA PRO A 68 64.852 -6.747 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.688 -9.346 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.996 -8.921 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.406 -10.149 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.865 -10.589 -8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.000 -9.077 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.718 -8.848 -9.199 1.00 0.00 H new ATOM 995 N LEU A 69 67.397 -7.088 -6.970 1.00 0.00 N ATOM 996 CA LEU A 69 68.886 -7.043 -7.121 1.00 0.00 C ATOM 997 C LEU A 69 69.568 -7.621 -5.874 1.00 0.00 C ATOM 998 O LEU A 69 68.990 -7.632 -4.802 1.00 0.00 O ATOM 999 CB LEU A 69 69.245 -5.558 -7.322 1.00 0.00 C ATOM 1000 CG LEU A 69 68.819 -4.707 -6.108 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.953 -4.680 -5.074 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.501 -3.273 -6.560 1.00 0.00 C ATOM 0 H LEU A 69 67.057 -6.887 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 69 69.227 -7.643 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.319 -5.460 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.756 -5.182 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 69 67.928 -5.147 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.650 -4.078 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.170 -5.696 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.846 -4.246 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.201 -2.678 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.387 -2.830 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.690 -3.292 -7.288 1.00 0.00 H new ATOM 1014 N ARG A 70 70.783 -8.100 -6.018 1.00 0.00 N ATOM 1015 CA ARG A 70 71.593 -8.502 -4.825 1.00 0.00 C ATOM 1016 C ARG A 70 72.432 -7.316 -4.344 1.00 0.00 C ATOM 1017 O ARG A 70 72.946 -6.552 -5.141 1.00 0.00 O ATOM 1018 CB ARG A 70 72.494 -9.646 -5.302 1.00 0.00 C ATOM 1019 CG ARG A 70 71.791 -10.987 -5.081 1.00 0.00 C ATOM 1020 CD ARG A 70 72.456 -12.064 -5.944 1.00 0.00 C ATOM 1021 NE ARG A 70 72.127 -11.687 -7.355 1.00 0.00 N ATOM 1022 CZ ARG A 70 70.939 -11.911 -7.889 1.00 0.00 C ATOM 1023 NH1 ARG A 70 69.958 -12.479 -7.222 1.00 0.00 N ATOM 1024 NH2 ARG A 70 70.731 -11.555 -9.128 1.00 0.00 N ATOM 0 H ARG A 70 71.249 -8.230 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 70 70.967 -8.815 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.730 -9.519 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.439 -9.627 -4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.842 -11.267 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.735 -10.902 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 70 73.534 -12.089 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.074 -13.056 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 70 72.846 -11.241 -7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 70 70.099 -12.765 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 70 69.056 -12.633 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 70 71.478 -11.113 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 70 69.822 -11.719 -9.560 1.00 0.00 H new ATOM 1038 N VAL A 71 72.569 -7.169 -3.045 1.00 0.00 N ATOM 1039 CA VAL A 71 73.329 -6.005 -2.480 1.00 0.00 C ATOM 1040 C VAL A 71 74.833 -6.305 -2.551 1.00 0.00 C ATOM 1041 O VAL A 71 75.283 -7.341 -2.096 1.00 0.00 O ATOM 1042 CB VAL A 71 72.855 -5.854 -1.018 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.568 -4.675 -0.345 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.343 -5.593 -0.982 1.00 0.00 C ATOM 0 H VAL A 71 72.185 -7.808 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 71 73.153 -5.083 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 71 73.089 -6.777 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.223 -4.581 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.644 -4.848 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.344 -3.757 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 71 71.016 -5.488 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.119 -4.677 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.818 -6.429 -1.445 1.00 0.00 H new ATOM 1054 N GLU A 72 75.598 -5.400 -3.121 1.00 0.00 N ATOM 1055 CA GLU A 72 77.073 -5.604 -3.247 1.00 0.00 C ATOM 1056 C GLU A 72 77.819 -4.356 -2.762 1.00 0.00 C ATOM 1057 O GLU A 72 77.225 -3.309 -2.580 1.00 0.00 O ATOM 1058 CB GLU A 72 77.309 -5.828 -4.743 1.00 0.00 C ATOM 1059 CG GLU A 72 78.755 -6.272 -4.978 1.00 0.00 C ATOM 1060 CD GLU A 72 78.946 -6.634 -6.452 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.497 -5.871 -7.292 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.538 -7.667 -6.717 1.00 0.00 O ATOM 0 H GLU A 72 75.255 -4.520 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 72 77.433 -6.440 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.621 -6.584 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.107 -4.910 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.442 -5.474 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.990 -7.130 -4.349 1.00 0.00 H new ATOM 1069 N ASP A 73 79.115 -4.468 -2.555 1.00 0.00 N ATOM 1070 CA ASP A 73 79.940 -3.280 -2.126 1.00 0.00 C ATOM 1071 C ASP A 73 79.852 -2.142 -3.155 1.00 0.00 C ATOM 1072 O ASP A 73 80.008 -0.984 -2.811 1.00 0.00 O ATOM 1073 CB ASP A 73 81.384 -3.786 -2.028 1.00 0.00 C ATOM 1074 CG ASP A 73 81.492 -4.813 -0.897 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.950 -4.556 0.165 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.117 -5.839 -1.115 1.00 0.00 O ATOM 0 H ASP A 73 79.641 -5.335 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 73 79.580 -2.879 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.687 -4.237 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.061 -2.952 -1.842 1.00 0.00 H new ATOM 1081 N ARG A 74 79.608 -2.471 -4.406 1.00 0.00 N ATOM 1082 CA ARG A 74 79.444 -1.415 -5.461 1.00 0.00 C ATOM 1083 C ARG A 74 78.022 -0.831 -5.451 1.00 0.00 C ATOM 1084 O ARG A 74 77.805 0.260 -5.953 1.00 0.00 O ATOM 1085 CB ARG A 74 79.718 -2.118 -6.795 1.00 0.00 C ATOM 1086 CG ARG A 74 81.184 -2.553 -6.858 1.00 0.00 C ATOM 1087 CD ARG A 74 82.077 -1.320 -7.040 1.00 0.00 C ATOM 1088 NE ARG A 74 83.467 -1.852 -7.249 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.545 -1.127 -7.005 1.00 0.00 C ATOM 1090 NH1 ARG A 74 84.484 0.117 -6.582 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.718 -1.666 -7.199 1.00 0.00 N ATOM 0 H ARG A 74 79.515 -3.430 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 74 80.124 -0.581 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.067 -2.986 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.492 -1.447 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.457 -3.081 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.333 -3.248 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.753 -0.725 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.033 -0.672 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 74 83.583 -2.806 -7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 74 83.578 0.560 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 74 85.343 0.639 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.789 -2.627 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 74 86.564 -1.126 -7.017 1.00 0.00 H new ATOM 1105 N THR A 75 77.060 -1.538 -4.889 1.00 0.00 N ATOM 1106 CA THR A 75 75.658 -1.003 -4.818 1.00 0.00 C ATOM 1107 C THR A 75 75.543 0.026 -3.690 1.00 0.00 C ATOM 1108 O THR A 75 75.943 -0.233 -2.567 1.00 0.00 O ATOM 1109 CB THR A 75 74.763 -2.213 -4.529 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.075 -3.260 -5.437 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.295 -1.814 -4.693 1.00 0.00 C ATOM 0 H THR A 75 77.188 -2.462 -4.477 1.00 0.00 H new ATOM 0 HA THR A 75 75.369 -0.504 -5.743 1.00 0.00 H new ATOM 0 HB THR A 75 74.933 -2.555 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.404 -3.970 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.659 -2.675 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.056 -1.011 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.123 -1.471 -5.713 1.00 0.00 H new ATOM 1119 N LYS A 76 74.997 1.184 -3.988 1.00 0.00 N ATOM 1120 CA LYS A 76 74.857 2.259 -2.952 1.00 0.00 C ATOM 1121 C LYS A 76 73.513 2.126 -2.231 1.00 0.00 C ATOM 1122 O LYS A 76 72.530 1.708 -2.819 1.00 0.00 O ATOM 1123 CB LYS A 76 74.918 3.579 -3.727 1.00 0.00 C ATOM 1124 CG LYS A 76 76.311 3.756 -4.334 1.00 0.00 C ATOM 1125 CD LYS A 76 76.362 5.065 -5.126 1.00 0.00 C ATOM 1126 CE LYS A 76 77.525 5.014 -6.119 1.00 0.00 C ATOM 1127 NZ LYS A 76 78.751 5.121 -5.280 1.00 0.00 N ATOM 0 H LYS A 76 74.640 1.431 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 76 75.636 2.198 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.164 3.585 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.692 4.413 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.064 3.766 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.544 2.915 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.423 5.218 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.486 5.909 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.517 4.085 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.466 5.831 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 79.566 5.348 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 78.624 5.873 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.920 4.216 -4.796 1.00 0.00 H new ATOM 1141 N ILE A 77 73.468 2.475 -0.965 1.00 0.00 N ATOM 1142 CA ILE A 77 72.178 2.429 -0.199 1.00 0.00 C ATOM 1143 C ILE A 77 71.921 3.800 0.444 1.00 0.00 C ATOM 1144 O ILE A 77 72.817 4.402 1.009 1.00 0.00 O ATOM 1145 CB ILE A 77 72.364 1.327 0.864 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.622 -0.021 0.175 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.098 1.200 1.726 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.124 -1.037 1.202 1.00 0.00 C ATOM 0 H ILE A 77 74.274 2.792 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 77 71.318 2.208 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 77 73.212 1.596 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.706 -0.383 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.358 0.101 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.243 0.419 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.902 2.148 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.250 0.943 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.306 -1.992 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.051 -0.676 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.373 -1.168 1.981 1.00 0.00 H new ATOM 1160 N THR A 78 70.702 4.282 0.356 1.00 0.00 N ATOM 1161 CA THR A 78 70.367 5.638 0.892 1.00 0.00 C ATOM 1162 C THR A 78 69.181 5.553 1.857 1.00 0.00 C ATOM 1163 O THR A 78 68.242 4.810 1.628 1.00 0.00 O ATOM 1164 CB THR A 78 69.992 6.466 -0.338 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.994 6.313 -1.335 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.880 7.940 0.052 1.00 0.00 C ATOM 0 H THR A 78 69.918 3.787 -0.069 1.00 0.00 H new ATOM 0 HA THR A 78 71.196 6.076 1.447 1.00 0.00 H new ATOM 0 HB THR A 78 69.035 6.122 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.840 6.959 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.613 8.529 -0.825 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.111 8.057 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.836 8.286 0.444 1.00 0.00 H new ATOM 1174 N LEU A 79 69.229 6.309 2.931 1.00 0.00 N ATOM 1175 CA LEU A 79 68.076 6.371 3.882 1.00 0.00 C ATOM 1176 C LEU A 79 67.255 7.639 3.632 1.00 0.00 C ATOM 1177 O LEU A 79 67.798 8.730 3.582 1.00 0.00 O ATOM 1178 CB LEU A 79 68.711 6.411 5.274 1.00 0.00 C ATOM 1179 CG LEU A 79 69.398 5.075 5.566 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.287 5.217 6.803 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.337 4.003 5.823 1.00 0.00 C ATOM 0 H LEU A 79 70.026 6.890 3.189 1.00 0.00 H new ATOM 0 HA LEU A 79 67.399 5.524 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.435 7.223 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.948 6.611 6.027 1.00 0.00 H new ATOM 0 HG LEU A 79 70.009 4.786 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.776 4.265 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.043 5.982 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.676 5.505 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.825 3.051 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.727 4.293 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.702 3.901 4.943 1.00 0.00 H new ATOM 1193 N VAL A 80 65.958 7.497 3.475 1.00 0.00 N ATOM 1194 CA VAL A 80 65.079 8.683 3.216 1.00 0.00 C ATOM 1195 C VAL A 80 64.536 9.218 4.549 1.00 0.00 C ATOM 1196 O VAL A 80 63.936 8.486 5.316 1.00 0.00 O ATOM 1197 CB VAL A 80 63.936 8.168 2.317 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.960 9.307 1.989 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.507 7.623 1.002 1.00 0.00 C ATOM 0 H VAL A 80 65.468 6.603 3.516 1.00 0.00 H new ATOM 0 HA VAL A 80 65.614 9.501 2.734 1.00 0.00 H new ATOM 0 HB VAL A 80 63.412 7.377 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.159 8.928 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.536 9.700 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.492 10.103 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.693 7.262 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.042 8.417 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.192 6.803 1.215 1.00 0.00 H new ATOM 1209 N THR A 81 64.750 10.487 4.815 1.00 0.00 N ATOM 1210 CA THR A 81 64.118 11.141 6.001 1.00 0.00 C ATOM 1211 C THR A 81 63.837 12.617 5.703 1.00 0.00 C ATOM 1212 O THR A 81 64.208 13.122 4.658 1.00 0.00 O ATOM 1213 CB THR A 81 65.148 11.007 7.125 1.00 0.00 C ATOM 1214 OG1 THR A 81 66.416 11.443 6.656 1.00 0.00 O ATOM 1215 CG2 THR A 81 65.241 9.546 7.568 1.00 0.00 C ATOM 0 H THR A 81 65.341 11.100 4.254 1.00 0.00 H new ATOM 0 HA THR A 81 63.165 10.683 6.266 1.00 0.00 H new ATOM 0 HB THR A 81 64.841 11.620 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 81 67.077 11.360 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.975 9.455 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.268 9.212 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.546 8.928 6.723 1.00 0.00 H new ATOM 1223 N HIS A 82 63.185 13.300 6.617 1.00 0.00 N ATOM 1224 CA HIS A 82 62.888 14.756 6.425 1.00 0.00 C ATOM 1225 C HIS A 82 63.796 15.610 7.331 1.00 0.00 C ATOM 1226 O HIS A 82 64.303 15.103 8.314 1.00 0.00 O ATOM 1227 CB HIS A 82 61.412 14.922 6.813 1.00 0.00 C ATOM 1228 CG HIS A 82 61.091 14.503 8.225 1.00 0.00 C ATOM 1229 ND1 HIS A 82 60.310 13.393 8.507 1.00 0.00 N ATOM 1230 CD2 HIS A 82 61.438 15.036 9.443 1.00 0.00 C ATOM 1231 CE1 HIS A 82 60.213 13.294 9.844 1.00 0.00 C ATOM 1232 NE2 HIS A 82 60.883 14.270 10.464 1.00 0.00 N ATOM 0 H HIS A 82 62.844 12.907 7.494 1.00 0.00 H new ATOM 0 HA HIS A 82 63.072 15.083 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 82 61.130 15.967 6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 82 60.800 14.339 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 82 62.048 15.915 9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 82 59.661 12.520 10.355 1.00 0.00 H new ATOM 0 HE2 HIS A 82 60.969 14.421 11.469 1.00 0.00 H new ATOM 1240 N PRO A 83 63.982 16.880 6.984 1.00 0.00 N ATOM 1241 CA PRO A 83 64.851 17.775 7.808 1.00 0.00 C ATOM 1242 C PRO A 83 64.257 17.969 9.210 1.00 0.00 C ATOM 1243 O PRO A 83 64.778 17.376 10.140 1.00 0.00 O ATOM 1244 CB PRO A 83 64.876 19.100 7.033 1.00 0.00 C ATOM 1245 CG PRO A 83 64.341 18.785 5.674 1.00 0.00 C ATOM 1246 CD PRO A 83 63.428 17.603 5.824 1.00 0.00 C ATOM 1247 OXT PRO A 83 63.292 18.708 9.326 1.00 0.00 O ATOM 0 HA PRO A 83 65.850 17.365 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 83 64.265 19.855 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 83 65.889 19.499 6.972 1.00 0.00 H new ATOM 0 HG2 PRO A 83 63.802 19.639 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 83 65.153 18.560 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 83 62.398 17.912 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 83 63.426 16.982 4.928 1.00 0.00 H new TER 1255 PRO A 83