USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 1 SER OG : rot 117:sc= 0.146 USER MOD Set 1.2: A 3 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.0806 (180deg=-0.773) USER MOD Single : A 2 MET CE :methyl -117:sc= -0.527 (180deg=-1.6) USER MOD Single : A 7 SER OG : rot -150:sc= -0.193 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= -0.0145 (180deg=-0.335) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -4.69! C(o=-4.3!,f=-9.8!) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= -0.0101 (180deg=-2.06) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.97) USER MOD Single : A 32 MET CE :methyl 140:sc= -0.321 (180deg=-1.18) USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.282) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0745) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0239 (180deg=-0.198) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0541 (180deg=-0.374) USER MOD Single : A 48 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.96 (180deg=-1.22) USER MOD Single : A 55 SER OG : rot -54:sc= 0.388 USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -107:sc= -3.19! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 50:sc= 0.138! USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.048 (180deg=-0.344) USER MOD Single : A 82 THR OG1 : rot 48:sc= 1.06 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc=-0.00705 (180deg=-0.136) USER MOD Single : A 84 THR OG1 : rot 67:sc= 1.04 USER MOD Single : A 86 MET CE :methyl -129:sc= -13.1! (180deg=-21.8!) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0467) USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= -0.0207 (180deg=-1.06) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0059 USER MOD Single : A 109 SER OG : rot 179:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.423 -9.131 9.302 1.00 0.00 N ATOM 2 CA SER A 1 4.055 -8.345 8.213 1.00 0.00 C ATOM 3 C SER A 1 4.222 -9.191 6.955 1.00 0.00 C ATOM 4 O SER A 1 4.048 -10.410 6.987 1.00 0.00 O ATOM 5 CB SER A 1 5.419 -7.821 8.666 1.00 0.00 C ATOM 6 OG SER A 1 6.281 -8.887 9.024 1.00 0.00 O ATOM 0 H1 SER A 1 2.530 -8.678 9.584 1.00 0.00 H new ATOM 0 H2 SER A 1 3.230 -10.096 8.967 1.00 0.00 H new ATOM 0 H3 SER A 1 4.065 -9.170 10.119 1.00 0.00 H new ATOM 0 HA SER A 1 3.402 -7.504 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.872 -7.236 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.291 -7.151 9.516 1.00 0.00 H new ATOM 0 HG SER A 1 7.054 -8.899 8.421 1.00 0.00 H new ATOM 14 N MET A 2 4.560 -8.536 5.849 1.00 0.00 N ATOM 15 CA MET A 2 4.749 -9.226 4.578 1.00 0.00 C ATOM 16 C MET A 2 6.226 -9.344 4.228 1.00 0.00 C ATOM 17 O MET A 2 6.636 -9.010 3.116 1.00 0.00 O ATOM 18 CB MET A 2 4.026 -8.486 3.457 1.00 0.00 C ATOM 19 CG MET A 2 4.070 -6.976 3.600 1.00 0.00 C ATOM 20 SD MET A 2 5.751 -6.331 3.698 1.00 0.00 S ATOM 21 CE MET A 2 5.432 -4.598 4.014 1.00 0.00 C ATOM 0 H MET A 2 4.709 -7.528 5.807 1.00 0.00 H new ATOM 0 HA MET A 2 4.332 -10.228 4.684 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.471 -8.765 2.502 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.986 -8.810 3.431 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.560 -6.520 2.751 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.521 -6.684 4.496 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.816 -4.001 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.358 -4.437 4.110 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.927 -4.299 4.938 1.00 0.00 H new ATOM 31 N THR A 3 7.024 -9.820 5.172 1.00 0.00 N ATOM 32 CA THR A 3 8.453 -9.971 4.945 1.00 0.00 C ATOM 33 C THR A 3 8.746 -11.181 4.062 1.00 0.00 C ATOM 34 O THR A 3 9.676 -11.165 3.257 1.00 0.00 O ATOM 35 CB THR A 3 9.225 -10.116 6.267 1.00 0.00 C ATOM 36 OG1 THR A 3 8.847 -9.075 7.176 1.00 0.00 O ATOM 37 CG2 THR A 3 10.722 -10.055 6.013 1.00 0.00 C ATOM 0 H THR A 3 6.708 -10.107 6.098 1.00 0.00 H new ATOM 0 HA THR A 3 8.787 -9.065 4.439 1.00 0.00 H new ATOM 0 HB THR A 3 8.979 -11.082 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.343 -9.177 8.015 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.256 -10.159 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.010 -10.864 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.975 -9.098 5.557 1.00 0.00 H new ATOM 45 N ASP A 4 7.944 -12.228 4.221 1.00 0.00 N ATOM 46 CA ASP A 4 8.113 -13.449 3.442 1.00 0.00 C ATOM 47 C ASP A 4 7.621 -13.268 2.007 1.00 0.00 C ATOM 48 O ASP A 4 7.948 -14.065 1.127 1.00 0.00 O ATOM 49 CB ASP A 4 7.346 -14.600 4.095 1.00 0.00 C ATOM 50 CG ASP A 4 7.730 -14.804 5.547 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.181 -14.090 6.411 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.577 -15.681 5.820 1.00 0.00 O ATOM 0 H ASP A 4 7.169 -12.256 4.884 1.00 0.00 H new ATOM 0 HA ASP A 4 9.178 -13.680 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.276 -14.402 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.535 -15.519 3.540 1.00 0.00 H new ATOM 57 N LEU A 5 6.838 -12.219 1.774 1.00 0.00 N ATOM 58 CA LEU A 5 6.295 -11.959 0.449 1.00 0.00 C ATOM 59 C LEU A 5 6.985 -10.772 -0.218 1.00 0.00 C ATOM 60 O LEU A 5 7.649 -10.924 -1.244 1.00 0.00 O ATOM 61 CB LEU A 5 4.791 -11.699 0.548 1.00 0.00 C ATOM 62 CG LEU A 5 4.016 -12.690 1.416 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.410 -14.111 1.064 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.256 -12.415 2.894 1.00 0.00 C ATOM 0 H LEU A 5 6.567 -11.539 2.484 1.00 0.00 H new ATOM 0 HA LEU A 5 6.476 -12.840 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.637 -10.695 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.369 -11.713 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 5 2.951 -12.565 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.852 -14.809 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.184 -14.302 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.478 -14.245 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.695 -13.132 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.319 -12.511 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.926 -11.404 3.134 1.00 0.00 H new ATOM 76 N LEU A 6 6.823 -9.589 0.367 1.00 0.00 N ATOM 77 CA LEU A 6 7.421 -8.376 -0.180 1.00 0.00 C ATOM 78 C LEU A 6 8.907 -8.292 0.149 1.00 0.00 C ATOM 79 O LEU A 6 9.347 -8.745 1.205 1.00 0.00 O ATOM 80 CB LEU A 6 6.703 -7.139 0.360 1.00 0.00 C ATOM 81 CG LEU A 6 5.214 -7.061 0.029 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.654 -5.691 0.377 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.989 -7.369 -1.438 1.00 0.00 C ATOM 0 H LEU A 6 6.283 -9.445 1.220 1.00 0.00 H new ATOM 0 HA LEU A 6 7.312 -8.414 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.821 -7.113 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.195 -6.250 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 6 4.688 -7.804 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.592 -5.659 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.787 -5.504 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.181 -4.927 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.924 -7.311 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.529 -6.645 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.352 -8.373 -1.659 1.00 0.00 H new ATOM 95 N SER A 7 9.673 -7.707 -0.768 1.00 0.00 N ATOM 96 CA SER A 7 11.109 -7.555 -0.576 1.00 0.00 C ATOM 97 C SER A 7 11.397 -6.733 0.679 1.00 0.00 C ATOM 98 O SER A 7 11.064 -5.551 0.751 1.00 0.00 O ATOM 99 CB SER A 7 11.740 -6.891 -1.800 1.00 0.00 C ATOM 100 OG SER A 7 11.727 -7.763 -2.917 1.00 0.00 O ATOM 0 H SER A 7 9.322 -7.332 -1.649 1.00 0.00 H new ATOM 0 HA SER A 7 11.547 -8.545 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.198 -5.977 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.766 -6.602 -1.572 1.00 0.00 H new ATOM 0 HG SER A 7 12.493 -7.565 -3.495 1.00 0.00 H new ATOM 106 N ALA A 8 12.021 -7.374 1.664 1.00 0.00 N ATOM 107 CA ALA A 8 12.345 -6.724 2.931 1.00 0.00 C ATOM 108 C ALA A 8 13.228 -5.492 2.745 1.00 0.00 C ATOM 109 O ALA A 8 12.995 -4.455 3.367 1.00 0.00 O ATOM 110 CB ALA A 8 13.020 -7.716 3.865 1.00 0.00 C ATOM 0 H ALA A 8 12.314 -8.349 1.608 1.00 0.00 H new ATOM 0 HA ALA A 8 11.407 -6.383 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.259 -7.224 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.348 -8.554 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.938 -8.083 3.405 1.00 0.00 H new ATOM 116 N GLU A 9 14.241 -5.603 1.891 1.00 0.00 N ATOM 117 CA GLU A 9 15.151 -4.488 1.649 1.00 0.00 C ATOM 118 C GLU A 9 14.456 -3.378 0.866 1.00 0.00 C ATOM 119 O GLU A 9 14.581 -2.202 1.196 1.00 0.00 O ATOM 120 CB GLU A 9 16.395 -4.962 0.891 1.00 0.00 C ATOM 121 CG GLU A 9 16.146 -5.248 -0.580 1.00 0.00 C ATOM 122 CD GLU A 9 17.368 -5.801 -1.284 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.205 -4.996 -1.744 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.489 -7.041 -1.377 1.00 0.00 O ATOM 0 H GLU A 9 14.452 -6.447 1.358 1.00 0.00 H new ATOM 0 HA GLU A 9 15.458 -4.091 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.172 -4.203 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.777 -5.865 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.325 -5.959 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.831 -4.330 -1.076 1.00 0.00 H new ATOM 131 N ASP A 10 13.734 -3.761 -0.177 1.00 0.00 N ATOM 132 CA ASP A 10 13.016 -2.801 -1.010 1.00 0.00 C ATOM 133 C ASP A 10 12.173 -1.865 -0.161 1.00 0.00 C ATOM 134 O ASP A 10 12.242 -0.647 -0.296 1.00 0.00 O ATOM 135 CB ASP A 10 12.105 -3.543 -1.974 1.00 0.00 C ATOM 136 CG ASP A 10 12.877 -4.451 -2.913 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.908 -5.010 -2.485 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.455 -4.594 -4.080 1.00 0.00 O ATOM 0 H ASP A 10 13.628 -4.733 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 10 13.751 -2.213 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.387 -4.136 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.533 -2.822 -2.558 1.00 0.00 H new ATOM 143 N ILE A 11 11.364 -2.458 0.698 1.00 0.00 N ATOM 144 CA ILE A 11 10.483 -1.712 1.582 1.00 0.00 C ATOM 145 C ILE A 11 11.270 -0.801 2.515 1.00 0.00 C ATOM 146 O ILE A 11 11.016 0.401 2.576 1.00 0.00 O ATOM 147 CB ILE A 11 9.637 -2.686 2.416 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.837 -3.621 1.514 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.710 -1.925 3.346 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.612 -4.988 2.123 1.00 0.00 C ATOM 0 H ILE A 11 11.298 -3.470 0.804 1.00 0.00 H new ATOM 0 HA ILE A 11 9.836 -1.091 0.963 1.00 0.00 H new ATOM 0 HB ILE A 11 10.314 -3.291 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.872 -3.165 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.360 -3.735 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.119 -2.632 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.300 -1.304 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.044 -1.293 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.037 -5.604 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.574 -5.462 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.063 -4.884 3.059 1.00 0.00 H new ATOM 162 N LYS A 12 12.223 -1.372 3.238 1.00 0.00 N ATOM 163 CA LYS A 12 13.035 -0.590 4.160 1.00 0.00 C ATOM 164 C LYS A 12 13.818 0.476 3.399 1.00 0.00 C ATOM 165 O LYS A 12 13.886 1.633 3.816 1.00 0.00 O ATOM 166 CB LYS A 12 13.991 -1.499 4.933 1.00 0.00 C ATOM 167 CG LYS A 12 14.585 -0.837 6.162 1.00 0.00 C ATOM 168 CD LYS A 12 15.754 -1.637 6.716 1.00 0.00 C ATOM 169 CE LYS A 12 16.412 -0.929 7.888 1.00 0.00 C ATOM 170 NZ LYS A 12 17.461 -1.770 8.529 1.00 0.00 N ATOM 0 H LYS A 12 12.452 -2.365 3.205 1.00 0.00 H new ATOM 0 HA LYS A 12 12.374 -0.097 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.459 -2.401 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.799 -1.812 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.919 0.169 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.817 -0.735 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.405 -2.620 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.490 -1.799 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.856 0.005 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.654 -0.669 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.885 -1.250 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.033 -2.651 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.198 -1.997 7.831 1.00 0.00 H new ATOM 184 N LYS A 13 14.399 0.071 2.274 1.00 0.00 N ATOM 185 CA LYS A 13 15.173 0.980 1.437 1.00 0.00 C ATOM 186 C LYS A 13 14.278 2.061 0.854 1.00 0.00 C ATOM 187 O LYS A 13 14.562 3.250 0.959 1.00 0.00 O ATOM 188 CB LYS A 13 15.815 0.216 0.279 1.00 0.00 C ATOM 189 CG LYS A 13 16.870 -0.787 0.705 1.00 0.00 C ATOM 190 CD LYS A 13 17.134 -1.829 -0.380 1.00 0.00 C ATOM 191 CE LYS A 13 17.318 -1.191 -1.750 1.00 0.00 C ATOM 192 NZ LYS A 13 18.374 -0.141 -1.738 1.00 0.00 N ATOM 0 H LYS A 13 14.348 -0.884 1.920 1.00 0.00 H new ATOM 0 HA LYS A 13 15.943 1.433 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.034 -0.307 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.267 0.932 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.797 -0.263 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.548 -1.287 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.026 -2.401 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.303 -2.533 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.580 -1.960 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.375 -0.753 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.968 -0.237 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.929 0.799 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.963 -0.251 -0.888 1.00 0.00 H new ATOM 206 N ALA A 14 13.180 1.617 0.256 1.00 0.00 N ATOM 207 CA ALA A 14 12.217 2.502 -0.385 1.00 0.00 C ATOM 208 C ALA A 14 11.522 3.407 0.619 1.00 0.00 C ATOM 209 O ALA A 14 11.433 4.619 0.422 1.00 0.00 O ATOM 210 CB ALA A 14 11.189 1.674 -1.135 1.00 0.00 C ATOM 0 H ALA A 14 12.932 0.629 0.202 1.00 0.00 H new ATOM 0 HA ALA A 14 12.760 3.142 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.468 2.336 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.690 1.072 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.670 1.018 -0.436 1.00 0.00 H new ATOM 216 N ILE A 15 11.030 2.811 1.695 1.00 0.00 N ATOM 217 CA ILE A 15 10.330 3.563 2.717 1.00 0.00 C ATOM 218 C ILE A 15 11.182 4.728 3.218 1.00 0.00 C ATOM 219 O ILE A 15 10.695 5.848 3.363 1.00 0.00 O ATOM 220 CB ILE A 15 9.889 2.645 3.864 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.675 1.894 3.357 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.564 3.424 5.138 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.941 1.105 4.403 1.00 0.00 C ATOM 0 H ILE A 15 11.104 1.811 1.880 1.00 0.00 H new ATOM 0 HA ILE A 15 9.429 3.987 2.274 1.00 0.00 H new ATOM 0 HB ILE A 15 10.695 1.965 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.984 2.608 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.990 1.215 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.257 2.730 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.448 3.972 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.755 4.127 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.088 0.602 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.611 0.363 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.590 1.777 5.186 1.00 0.00 H new ATOM 235 N GLY A 16 12.455 4.453 3.477 1.00 0.00 N ATOM 236 CA GLY A 16 13.354 5.491 3.953 1.00 0.00 C ATOM 237 C GLY A 16 14.175 6.137 2.848 1.00 0.00 C ATOM 238 O GLY A 16 14.911 7.090 3.100 1.00 0.00 O ATOM 0 H GLY A 16 12.881 3.533 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.772 6.261 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.030 5.064 4.694 1.00 0.00 H new ATOM 242 N ALA A 17 14.054 5.628 1.626 1.00 0.00 N ATOM 243 CA ALA A 17 14.806 6.171 0.497 1.00 0.00 C ATOM 244 C ALA A 17 14.393 7.603 0.180 1.00 0.00 C ATOM 245 O ALA A 17 15.241 8.482 0.025 1.00 0.00 O ATOM 246 CB ALA A 17 14.625 5.297 -0.736 1.00 0.00 C ATOM 0 H ALA A 17 13.446 4.844 1.391 1.00 0.00 H new ATOM 0 HA ALA A 17 15.858 6.178 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.192 5.717 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.984 4.290 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.569 5.257 -1.002 1.00 0.00 H new ATOM 252 N PHE A 18 13.089 7.835 0.086 1.00 0.00 N ATOM 253 CA PHE A 18 12.578 9.157 -0.237 1.00 0.00 C ATOM 254 C PHE A 18 11.300 9.461 0.539 1.00 0.00 C ATOM 255 O PHE A 18 10.531 8.560 0.872 1.00 0.00 O ATOM 256 CB PHE A 18 12.330 9.243 -1.742 1.00 0.00 C ATOM 257 CG PHE A 18 11.098 8.517 -2.211 1.00 0.00 C ATOM 258 CD1 PHE A 18 10.951 7.153 -2.001 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.092 9.200 -2.869 1.00 0.00 C ATOM 260 CE1 PHE A 18 9.820 6.490 -2.441 1.00 0.00 C ATOM 261 CE2 PHE A 18 8.959 8.542 -3.309 1.00 0.00 C ATOM 262 CZ PHE A 18 8.824 7.186 -3.095 1.00 0.00 C ATOM 0 H PHE A 18 12.370 7.126 0.229 1.00 0.00 H new ATOM 0 HA PHE A 18 13.318 9.903 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.249 10.292 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.197 8.838 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.727 6.604 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.193 10.261 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.716 5.428 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.180 9.089 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.940 6.670 -3.439 1.00 0.00 H new ATOM 272 N THR A 19 11.081 10.744 0.823 1.00 0.00 N ATOM 273 CA THR A 19 9.905 11.175 1.570 1.00 0.00 C ATOM 274 C THR A 19 8.696 11.363 0.656 1.00 0.00 C ATOM 275 O THR A 19 7.552 11.248 1.097 1.00 0.00 O ATOM 276 CB THR A 19 10.171 12.491 2.323 1.00 0.00 C ATOM 277 OG1 THR A 19 9.026 12.850 3.106 1.00 0.00 O ATOM 278 CG2 THR A 19 10.498 13.614 1.349 1.00 0.00 C ATOM 0 H THR A 19 11.704 11.502 0.546 1.00 0.00 H new ATOM 0 HA THR A 19 9.688 10.385 2.289 1.00 0.00 H new ATOM 0 HB THR A 19 11.027 12.340 2.981 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.205 13.687 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.682 14.534 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.387 13.351 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.659 13.762 0.669 1.00 0.00 H new ATOM 286 N ALA A 20 8.952 11.658 -0.618 1.00 0.00 N ATOM 287 CA ALA A 20 7.879 11.858 -1.589 1.00 0.00 C ATOM 288 C ALA A 20 6.832 10.754 -1.493 1.00 0.00 C ATOM 289 O ALA A 20 5.668 10.960 -1.835 1.00 0.00 O ATOM 290 CB ALA A 20 8.438 11.935 -3.000 1.00 0.00 C ATOM 0 H ALA A 20 9.892 11.763 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 20 7.393 12.805 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.622 12.084 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.136 12.770 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.958 11.007 -3.237 1.00 0.00 H new ATOM 296 N ALA A 21 7.250 9.582 -1.031 1.00 0.00 N ATOM 297 CA ALA A 21 6.333 8.462 -0.877 1.00 0.00 C ATOM 298 C ALA A 21 5.130 8.878 -0.045 1.00 0.00 C ATOM 299 O ALA A 21 3.984 8.784 -0.486 1.00 0.00 O ATOM 300 CB ALA A 21 7.043 7.281 -0.234 1.00 0.00 C ATOM 0 H ALA A 21 8.213 9.384 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 21 5.984 8.158 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.344 6.451 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.878 6.972 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.416 7.572 0.748 1.00 0.00 H new ATOM 306 N ASP A 22 5.410 9.335 1.164 1.00 0.00 N ATOM 307 CA ASP A 22 4.372 9.787 2.082 1.00 0.00 C ATOM 308 C ASP A 22 4.051 11.267 1.876 1.00 0.00 C ATOM 309 O ASP A 22 3.014 11.753 2.325 1.00 0.00 O ATOM 310 CB ASP A 22 4.813 9.561 3.527 1.00 0.00 C ATOM 311 CG ASP A 22 4.993 8.094 3.858 1.00 0.00 C ATOM 312 OD1 ASP A 22 3.986 7.429 4.184 1.00 0.00 O ATOM 313 OD2 ASP A 22 6.142 7.609 3.791 1.00 0.00 O ATOM 0 H ASP A 22 6.357 9.404 1.537 1.00 0.00 H new ATOM 0 HA ASP A 22 3.473 9.207 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.751 10.087 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.073 9.994 4.201 1.00 0.00 H new ATOM 318 N SER A 23 4.947 11.983 1.201 1.00 0.00 N ATOM 319 CA SER A 23 4.761 13.406 0.962 1.00 0.00 C ATOM 320 C SER A 23 3.994 13.676 -0.331 1.00 0.00 C ATOM 321 O SER A 23 2.957 14.337 -0.318 1.00 0.00 O ATOM 322 CB SER A 23 6.118 14.115 0.926 1.00 0.00 C ATOM 323 OG SER A 23 5.967 15.491 0.623 1.00 0.00 O ATOM 0 H SER A 23 5.808 11.598 0.811 1.00 0.00 H new ATOM 0 HA SER A 23 4.164 13.800 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.615 14.004 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.758 13.643 0.181 1.00 0.00 H new ATOM 0 HG SER A 23 6.847 15.921 0.608 1.00 0.00 H new ATOM 329 N PHE A 24 4.502 13.161 -1.446 1.00 0.00 N ATOM 330 CA PHE A 24 3.867 13.378 -2.742 1.00 0.00 C ATOM 331 C PHE A 24 2.926 12.237 -3.135 1.00 0.00 C ATOM 332 O PHE A 24 1.715 12.436 -3.228 1.00 0.00 O ATOM 333 CB PHE A 24 4.930 13.562 -3.824 1.00 0.00 C ATOM 334 CG PHE A 24 4.364 13.702 -5.208 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.001 14.945 -5.702 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.191 12.588 -6.015 1.00 0.00 C ATOM 337 CE1 PHE A 24 3.478 15.075 -6.973 1.00 0.00 C ATOM 338 CE2 PHE A 24 3.667 12.713 -7.288 1.00 0.00 C ATOM 339 CZ PHE A 24 3.309 13.958 -7.768 1.00 0.00 C ATOM 0 H PHE A 24 5.348 12.593 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 24 3.264 14.282 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.523 14.447 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.609 12.709 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.129 15.822 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.469 11.612 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.201 16.050 -7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.537 11.838 -7.907 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.898 14.058 -8.762 1.00 0.00 H new ATOM 349 N ASP A 25 3.476 11.045 -3.363 1.00 0.00 N ATOM 350 CA ASP A 25 2.653 9.910 -3.774 1.00 0.00 C ATOM 351 C ASP A 25 3.355 8.574 -3.547 1.00 0.00 C ATOM 352 O ASP A 25 4.485 8.370 -3.991 1.00 0.00 O ATOM 353 CB ASP A 25 2.294 10.047 -5.253 1.00 0.00 C ATOM 354 CG ASP A 25 1.302 8.998 -5.708 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.827 8.219 -4.854 1.00 0.00 O ATOM 356 OD2 ASP A 25 0.997 8.958 -6.917 1.00 0.00 O ATOM 0 H ASP A 25 4.471 10.842 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 25 1.753 9.920 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.878 11.038 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.201 9.969 -5.853 1.00 0.00 H new ATOM 361 N HIS A 26 2.672 7.667 -2.854 1.00 0.00 N ATOM 362 CA HIS A 26 3.214 6.341 -2.582 1.00 0.00 C ATOM 363 C HIS A 26 3.243 5.476 -3.845 1.00 0.00 C ATOM 364 O HIS A 26 3.872 4.418 -3.859 1.00 0.00 O ATOM 365 CB HIS A 26 2.405 5.642 -1.485 1.00 0.00 C ATOM 366 CG HIS A 26 2.783 6.067 -0.101 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.994 5.750 0.480 1.00 0.00 N ATOM 368 CD2 HIS A 26 2.103 6.788 0.822 1.00 0.00 C ATOM 369 CE1 HIS A 26 4.040 6.255 1.699 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.906 6.890 1.930 1.00 0.00 N ATOM 0 H HIS A 26 1.741 7.827 -2.470 1.00 0.00 H new ATOM 0 HA HIS A 26 4.240 6.471 -2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.345 5.844 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.541 4.564 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.113 7.205 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.865 6.164 2.390 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.665 7.378 2.793 1.00 0.00 H new ATOM 379 N LYS A 27 2.564 5.923 -4.908 1.00 0.00 N ATOM 380 CA LYS A 27 2.528 5.184 -6.158 1.00 0.00 C ATOM 381 C LYS A 27 3.933 4.751 -6.558 1.00 0.00 C ATOM 382 O LYS A 27 4.193 3.572 -6.789 1.00 0.00 O ATOM 383 CB LYS A 27 1.906 6.045 -7.258 1.00 0.00 C ATOM 384 CG LYS A 27 0.384 6.073 -7.237 1.00 0.00 C ATOM 385 CD LYS A 27 -0.208 5.127 -8.266 1.00 0.00 C ATOM 386 CE LYS A 27 -0.291 3.711 -7.729 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.359 3.572 -6.702 1.00 0.00 N ATOM 0 H LYS A 27 2.034 6.795 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 27 1.916 4.292 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.279 7.065 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.239 5.674 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.028 5.799 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.036 7.087 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.203 5.470 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.402 5.141 -9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.485 3.021 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.669 3.429 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.938 3.263 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.831 4.489 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.055 2.867 -7.018 1.00 0.00 H new ATOM 401 N LYS A 28 4.835 5.719 -6.634 1.00 0.00 N ATOM 402 CA LYS A 28 6.218 5.438 -6.974 1.00 0.00 C ATOM 403 C LYS A 28 6.820 4.512 -5.931 1.00 0.00 C ATOM 404 O LYS A 28 7.462 3.514 -6.260 1.00 0.00 O ATOM 405 CB LYS A 28 7.015 6.738 -7.045 1.00 0.00 C ATOM 406 CG LYS A 28 6.635 7.631 -8.216 1.00 0.00 C ATOM 407 CD LYS A 28 6.932 6.964 -9.549 1.00 0.00 C ATOM 408 CE LYS A 28 8.397 6.572 -9.661 1.00 0.00 C ATOM 409 NZ LYS A 28 8.726 6.016 -11.004 1.00 0.00 N ATOM 0 H LYS A 28 4.632 6.704 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 28 6.256 4.952 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.872 7.292 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.076 6.499 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.574 7.875 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.182 8.571 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.307 6.078 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.672 7.642 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.021 7.444 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.634 5.834 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.734 5.762 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.149 5.169 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.525 6.729 -11.734 1.00 0.00 H new ATOM 423 N PHE A 29 6.602 4.855 -4.665 1.00 0.00 N ATOM 424 CA PHE A 29 7.096 4.048 -3.557 1.00 0.00 C ATOM 425 C PHE A 29 6.674 2.593 -3.741 1.00 0.00 C ATOM 426 O PHE A 29 7.377 1.674 -3.333 1.00 0.00 O ATOM 427 CB PHE A 29 6.564 4.588 -2.220 1.00 0.00 C ATOM 428 CG PHE A 29 6.687 3.610 -1.079 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.932 3.257 -0.585 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.559 3.027 -0.526 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.048 2.344 0.444 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.669 2.111 0.500 1.00 0.00 C ATOM 433 CZ PHE A 29 6.913 1.768 0.986 1.00 0.00 C ATOM 0 H PHE A 29 6.086 5.688 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 29 8.185 4.103 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.105 5.499 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.516 4.862 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.821 3.700 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.582 3.292 -0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.023 2.080 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.782 1.663 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.001 1.051 1.789 1.00 0.00 H new ATOM 443 N PHE A 30 5.512 2.399 -4.344 1.00 0.00 N ATOM 444 CA PHE A 30 4.992 1.061 -4.582 1.00 0.00 C ATOM 445 C PHE A 30 5.937 0.268 -5.472 1.00 0.00 C ATOM 446 O PHE A 30 6.010 -0.957 -5.391 1.00 0.00 O ATOM 447 CB PHE A 30 3.616 1.149 -5.218 1.00 0.00 C ATOM 448 CG PHE A 30 2.611 0.302 -4.507 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.964 0.770 -3.373 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.328 -0.966 -4.961 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.049 -0.022 -2.708 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.415 -1.764 -4.302 1.00 0.00 C ATOM 453 CZ PHE A 30 0.773 -1.292 -3.173 1.00 0.00 C ATOM 0 H PHE A 30 4.910 3.152 -4.678 1.00 0.00 H new ATOM 0 HA PHE A 30 4.910 0.542 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.282 2.186 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.679 0.837 -6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.178 1.763 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.826 -1.341 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.550 0.351 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.202 -2.757 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.058 -1.915 -2.656 1.00 0.00 H new ATOM 463 N GLN A 31 6.645 0.982 -6.326 1.00 0.00 N ATOM 464 CA GLN A 31 7.613 0.373 -7.227 1.00 0.00 C ATOM 465 C GLN A 31 8.957 0.179 -6.525 1.00 0.00 C ATOM 466 O GLN A 31 9.597 -0.864 -6.665 1.00 0.00 O ATOM 467 CB GLN A 31 7.760 1.240 -8.476 1.00 0.00 C ATOM 468 CG GLN A 31 6.433 1.760 -9.011 1.00 0.00 C ATOM 469 CD GLN A 31 6.577 2.459 -10.349 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.464 2.134 -11.140 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.704 3.425 -10.612 1.00 0.00 N ATOM 0 H GLN A 31 6.569 1.995 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 31 7.257 -0.613 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.408 2.086 -8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.255 0.661 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.736 0.928 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.000 2.452 -8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.985 3.662 -9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.753 3.929 -11.497 1.00 0.00 H new ATOM 480 N MET A 32 9.373 1.188 -5.770 1.00 0.00 N ATOM 481 CA MET A 32 10.638 1.135 -5.034 1.00 0.00 C ATOM 482 C MET A 32 10.538 0.200 -3.828 1.00 0.00 C ATOM 483 O MET A 32 11.514 -0.444 -3.441 1.00 0.00 O ATOM 484 CB MET A 32 11.038 2.534 -4.559 1.00 0.00 C ATOM 485 CG MET A 32 10.663 3.641 -5.528 1.00 0.00 C ATOM 486 SD MET A 32 11.379 5.234 -5.074 1.00 0.00 S ATOM 487 CE MET A 32 13.125 4.846 -5.120 1.00 0.00 C ATOM 0 H MET A 32 8.854 2.057 -5.649 1.00 0.00 H new ATOM 0 HA MET A 32 11.398 0.749 -5.713 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.564 2.730 -3.597 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.115 2.557 -4.395 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.996 3.370 -6.530 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.578 3.733 -5.567 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.671 5.680 -5.561 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.486 4.671 -4.106 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.283 3.950 -5.721 1.00 0.00 H new ATOM 497 N VAL A 33 9.348 0.137 -3.241 1.00 0.00 N ATOM 498 CA VAL A 33 9.100 -0.690 -2.063 1.00 0.00 C ATOM 499 C VAL A 33 9.222 -2.175 -2.382 1.00 0.00 C ATOM 500 O VAL A 33 9.503 -2.989 -1.505 1.00 0.00 O ATOM 501 CB VAL A 33 7.696 -0.411 -1.488 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.628 -0.850 -2.464 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.508 -1.115 -0.168 1.00 0.00 C ATOM 0 H VAL A 33 8.531 0.654 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 33 9.858 -0.429 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 33 7.605 0.663 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.644 -0.646 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.743 -0.302 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.726 -1.919 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.511 -0.904 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.622 -2.190 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.255 -0.761 0.543 1.00 0.00 H new ATOM 513 N GLY A 34 9.016 -2.513 -3.642 1.00 0.00 N ATOM 514 CA GLY A 34 9.112 -3.897 -4.063 1.00 0.00 C ATOM 515 C GLY A 34 7.776 -4.616 -4.031 1.00 0.00 C ATOM 516 O GLY A 34 7.727 -5.846 -4.005 1.00 0.00 O ATOM 0 H GLY A 34 8.783 -1.854 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.517 -3.937 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.817 -4.420 -3.417 1.00 0.00 H new ATOM 520 N LEU A 35 6.690 -3.850 -4.038 1.00 0.00 N ATOM 521 CA LEU A 35 5.352 -4.427 -4.017 1.00 0.00 C ATOM 522 C LEU A 35 5.061 -5.106 -5.343 1.00 0.00 C ATOM 523 O LEU A 35 4.345 -6.106 -5.405 1.00 0.00 O ATOM 524 CB LEU A 35 4.308 -3.349 -3.727 1.00 0.00 C ATOM 525 CG LEU A 35 3.984 -3.152 -2.250 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.666 -1.695 -1.959 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.820 -4.043 -1.858 1.00 0.00 C ATOM 0 H LEU A 35 6.711 -2.830 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 35 5.303 -5.171 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.661 -2.402 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.389 -3.602 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 35 4.856 -3.429 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.438 -1.577 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.526 -1.077 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.806 -1.385 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.591 -3.899 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.946 -3.785 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.085 -5.086 -2.033 1.00 0.00 H new ATOM 539 N LYS A 36 5.627 -4.550 -6.404 1.00 0.00 N ATOM 540 CA LYS A 36 5.464 -5.104 -7.736 1.00 0.00 C ATOM 541 C LYS A 36 6.445 -6.256 -7.958 1.00 0.00 C ATOM 542 O LYS A 36 6.294 -7.040 -8.895 1.00 0.00 O ATOM 543 CB LYS A 36 5.688 -4.016 -8.784 1.00 0.00 C ATOM 544 CG LYS A 36 4.602 -2.948 -8.800 1.00 0.00 C ATOM 545 CD LYS A 36 5.187 -1.550 -8.959 1.00 0.00 C ATOM 546 CE LYS A 36 6.240 -1.486 -10.052 1.00 0.00 C ATOM 547 NZ LYS A 36 5.746 -2.052 -11.337 1.00 0.00 N ATOM 0 H LYS A 36 6.206 -3.711 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 36 4.449 -5.488 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.651 -3.540 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.744 -4.479 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.908 -3.147 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.028 -2.999 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.386 -0.847 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.628 -1.234 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.541 -0.450 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.127 -2.032 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.190 -1.549 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.989 -3.062 -11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.713 -1.941 -11.391 1.00 0.00 H new ATOM 561 N LYS A 37 7.454 -6.352 -7.085 1.00 0.00 N ATOM 562 CA LYS A 37 8.461 -7.404 -7.176 1.00 0.00 C ATOM 563 C LYS A 37 7.816 -8.768 -7.401 1.00 0.00 C ATOM 564 O LYS A 37 8.343 -9.598 -8.141 1.00 0.00 O ATOM 565 CB LYS A 37 9.316 -7.420 -5.900 1.00 0.00 C ATOM 566 CG LYS A 37 10.514 -8.357 -5.969 1.00 0.00 C ATOM 567 CD LYS A 37 10.136 -9.785 -5.611 1.00 0.00 C ATOM 568 CE LYS A 37 11.366 -10.669 -5.484 1.00 0.00 C ATOM 569 NZ LYS A 37 12.134 -10.739 -6.757 1.00 0.00 N ATOM 0 H LYS A 37 7.591 -5.709 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 37 9.101 -7.193 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.670 -6.409 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.688 -7.711 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.936 -8.334 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.290 -8.005 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.583 -9.792 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.472 -10.190 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.009 -10.284 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.062 -11.673 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.906 -11.429 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.502 -11.033 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.532 -9.803 -6.974 1.00 0.00 H new ATOM 583 N LYS A 38 6.671 -8.992 -6.765 1.00 0.00 N ATOM 584 CA LYS A 38 5.961 -10.257 -6.901 1.00 0.00 C ATOM 585 C LYS A 38 4.533 -10.039 -7.383 1.00 0.00 C ATOM 586 O LYS A 38 4.135 -8.916 -7.690 1.00 0.00 O ATOM 587 CB LYS A 38 5.950 -11.006 -5.569 1.00 0.00 C ATOM 588 CG LYS A 38 7.302 -11.566 -5.173 1.00 0.00 C ATOM 589 CD LYS A 38 7.161 -12.603 -4.078 1.00 0.00 C ATOM 590 CE LYS A 38 8.508 -13.186 -3.683 1.00 0.00 C ATOM 591 NZ LYS A 38 9.139 -13.932 -4.806 1.00 0.00 N ATOM 0 H LYS A 38 6.216 -8.315 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 38 6.486 -10.855 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.603 -10.332 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.231 -11.823 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.783 -12.014 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.949 -10.758 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.690 -12.150 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.503 -13.403 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.171 -12.383 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.379 -13.853 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.936 -14.494 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.437 -14.565 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.485 -13.259 -5.519 1.00 0.00 H new ATOM 605 N SER A 39 3.768 -11.122 -7.446 1.00 0.00 N ATOM 606 CA SER A 39 2.380 -11.051 -7.887 1.00 0.00 C ATOM 607 C SER A 39 1.515 -10.356 -6.840 1.00 0.00 C ATOM 608 O SER A 39 1.974 -10.067 -5.734 1.00 0.00 O ATOM 609 CB SER A 39 1.839 -12.453 -8.165 1.00 0.00 C ATOM 610 OG SER A 39 2.590 -13.099 -9.178 1.00 0.00 O ATOM 0 H SER A 39 4.085 -12.059 -7.198 1.00 0.00 H new ATOM 0 HA SER A 39 2.345 -10.468 -8.808 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.870 -13.046 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.794 -12.389 -8.468 1.00 0.00 H new ATOM 0 HG SER A 39 2.224 -13.995 -9.335 1.00 0.00 H new ATOM 616 N ALA A 40 0.263 -10.089 -7.196 1.00 0.00 N ATOM 617 CA ALA A 40 -0.665 -9.434 -6.287 1.00 0.00 C ATOM 618 C ALA A 40 -0.995 -10.327 -5.094 1.00 0.00 C ATOM 619 O ALA A 40 -1.499 -9.854 -4.077 1.00 0.00 O ATOM 620 CB ALA A 40 -1.932 -9.051 -7.032 1.00 0.00 C ATOM 0 H ALA A 40 -0.131 -10.317 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.190 -8.532 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.623 -8.561 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.684 -8.370 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.400 -9.947 -7.439 1.00 0.00 H new ATOM 626 N ASP A 41 -0.715 -11.623 -5.222 1.00 0.00 N ATOM 627 CA ASP A 41 -0.985 -12.563 -4.142 1.00 0.00 C ATOM 628 C ASP A 41 0.040 -12.404 -3.027 1.00 0.00 C ATOM 629 O ASP A 41 -0.284 -12.547 -1.847 1.00 0.00 O ATOM 630 CB ASP A 41 -0.982 -13.998 -4.666 1.00 0.00 C ATOM 631 CG ASP A 41 -1.698 -14.127 -5.996 1.00 0.00 C ATOM 632 OD1 ASP A 41 -2.924 -14.365 -5.990 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.033 -13.991 -7.044 1.00 0.00 O ATOM 0 H ASP A 41 -0.305 -12.041 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.973 -12.345 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.047 -14.340 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.459 -14.650 -3.935 1.00 0.00 H new ATOM 638 N ASP A 42 1.281 -12.104 -3.405 1.00 0.00 N ATOM 639 CA ASP A 42 2.344 -11.906 -2.429 1.00 0.00 C ATOM 640 C ASP A 42 2.074 -10.643 -1.622 1.00 0.00 C ATOM 641 O ASP A 42 2.082 -10.662 -0.391 1.00 0.00 O ATOM 642 CB ASP A 42 3.698 -11.808 -3.133 1.00 0.00 C ATOM 643 CG ASP A 42 4.027 -13.061 -3.920 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.602 -13.155 -5.092 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.706 -13.950 -3.366 1.00 0.00 O ATOM 0 H ASP A 42 1.572 -11.994 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 42 2.368 -12.760 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.695 -10.950 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.478 -11.631 -2.393 1.00 0.00 H new ATOM 650 N VAL A 43 1.835 -9.545 -2.332 1.00 0.00 N ATOM 651 CA VAL A 43 1.532 -8.268 -1.699 1.00 0.00 C ATOM 652 C VAL A 43 0.269 -8.399 -0.852 1.00 0.00 C ATOM 653 O VAL A 43 0.164 -7.841 0.241 1.00 0.00 O ATOM 654 CB VAL A 43 1.316 -7.167 -2.763 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.553 -7.005 -3.635 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.099 -7.489 -3.618 1.00 0.00 C ATOM 0 H VAL A 43 1.846 -9.515 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 43 2.376 -7.990 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 43 1.140 -6.223 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.376 -6.225 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.404 -6.728 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.766 -7.946 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.040 -6.705 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.250 -8.444 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.786 -7.549 -2.984 1.00 0.00 H new ATOM 666 N LYS A 44 -0.662 -9.187 -1.371 1.00 0.00 N ATOM 667 CA LYS A 44 -1.944 -9.443 -0.726 1.00 0.00 C ATOM 668 C LYS A 44 -1.788 -9.871 0.731 1.00 0.00 C ATOM 669 O LYS A 44 -2.688 -9.670 1.538 1.00 0.00 O ATOM 670 CB LYS A 44 -2.717 -10.516 -1.499 1.00 0.00 C ATOM 671 CG LYS A 44 -3.766 -9.953 -2.447 1.00 0.00 C ATOM 672 CD LYS A 44 -4.334 -11.033 -3.357 1.00 0.00 C ATOM 673 CE LYS A 44 -4.814 -12.240 -2.567 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.385 -13.291 -3.453 1.00 0.00 N ATOM 0 H LYS A 44 -0.548 -9.672 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.499 -8.505 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.011 -11.119 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.204 -11.183 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.573 -9.500 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.324 -9.162 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.163 -10.623 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.572 -11.345 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.982 -12.656 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.567 -11.925 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.701 -14.097 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.195 -12.901 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.659 -13.610 -4.126 1.00 0.00 H new ATOM 688 N LYS A 45 -0.657 -10.473 1.066 1.00 0.00 N ATOM 689 CA LYS A 45 -0.448 -10.968 2.419 1.00 0.00 C ATOM 690 C LYS A 45 -0.608 -9.849 3.431 1.00 0.00 C ATOM 691 O LYS A 45 -1.331 -9.991 4.420 1.00 0.00 O ATOM 692 CB LYS A 45 0.931 -11.614 2.549 1.00 0.00 C ATOM 693 CG LYS A 45 0.894 -13.129 2.450 1.00 0.00 C ATOM 694 CD LYS A 45 0.304 -13.587 1.127 1.00 0.00 C ATOM 695 CE LYS A 45 0.216 -15.102 1.056 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.614 -15.659 2.160 1.00 0.00 N ATOM 0 H LYS A 45 0.123 -10.630 0.428 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.204 -11.726 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.584 -11.221 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.370 -11.329 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.903 -13.526 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.304 -13.534 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.690 -13.157 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.918 -13.217 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.209 -15.397 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.218 -15.527 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.877 -16.640 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.070 -15.640 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.475 -15.086 2.270 1.00 0.00 H new ATOM 710 N VAL A 46 0.047 -8.728 3.174 1.00 0.00 N ATOM 711 CA VAL A 46 -0.033 -7.595 4.076 1.00 0.00 C ATOM 712 C VAL A 46 -1.488 -7.179 4.265 1.00 0.00 C ATOM 713 O VAL A 46 -1.863 -6.629 5.300 1.00 0.00 O ATOM 714 CB VAL A 46 0.805 -6.400 3.567 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.091 -5.630 2.461 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.171 -5.480 4.720 1.00 0.00 C ATOM 0 H VAL A 46 0.635 -8.581 2.354 1.00 0.00 H new ATOM 0 HA VAL A 46 0.381 -7.902 5.036 1.00 0.00 H new ATOM 0 HB VAL A 46 1.722 -6.802 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.716 -4.799 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.099 -6.295 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.856 -5.244 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.761 -4.644 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.261 -5.102 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.754 -6.034 5.456 1.00 0.00 H new ATOM 726 N PHE A 47 -2.305 -7.458 3.249 1.00 0.00 N ATOM 727 CA PHE A 47 -3.720 -7.117 3.286 1.00 0.00 C ATOM 728 C PHE A 47 -4.345 -7.518 4.607 1.00 0.00 C ATOM 729 O PHE A 47 -5.030 -6.728 5.232 1.00 0.00 O ATOM 730 CB PHE A 47 -4.474 -7.808 2.166 1.00 0.00 C ATOM 731 CG PHE A 47 -5.883 -7.318 2.001 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.153 -5.962 1.944 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.936 -8.214 1.904 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.448 -5.505 1.791 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.233 -7.763 1.752 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.489 -6.406 1.695 1.00 0.00 C ATOM 0 H PHE A 47 -2.007 -7.920 2.390 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.791 -6.036 3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.935 -7.660 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.491 -8.881 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.342 -5.253 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.741 -9.275 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.645 -4.444 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.046 -8.470 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.502 -6.051 1.576 1.00 0.00 H new ATOM 746 N HIS A 48 -4.099 -8.753 5.028 1.00 0.00 N ATOM 747 CA HIS A 48 -4.662 -9.246 6.277 1.00 0.00 C ATOM 748 C HIS A 48 -3.954 -8.602 7.453 1.00 0.00 C ATOM 749 O HIS A 48 -4.548 -8.377 8.507 1.00 0.00 O ATOM 750 CB HIS A 48 -4.548 -10.770 6.358 1.00 0.00 C ATOM 751 CG HIS A 48 -5.126 -11.345 7.615 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.451 -11.356 8.817 1.00 0.00 N ATOM 753 CD2 HIS A 48 -6.323 -11.932 7.852 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.209 -11.924 9.740 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.349 -12.282 9.179 1.00 0.00 N ATOM 0 H HIS A 48 -3.518 -9.426 4.527 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.719 -8.981 6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.055 -11.211 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.498 -11.052 6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.111 -12.095 7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.941 -12.070 10.776 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.124 -12.744 9.655 1.00 0.00 H new ATOM 764 N ILE A 49 -2.677 -8.305 7.263 1.00 0.00 N ATOM 765 CA ILE A 49 -1.888 -7.665 8.296 1.00 0.00 C ATOM 766 C ILE A 49 -2.494 -6.312 8.632 1.00 0.00 C ATOM 767 O ILE A 49 -2.713 -5.979 9.798 1.00 0.00 O ATOM 768 CB ILE A 49 -0.436 -7.454 7.839 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.154 -8.763 7.310 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.406 -6.910 8.984 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.080 -9.905 8.298 1.00 0.00 C ATOM 0 H ILE A 49 -2.168 -8.499 6.401 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.890 -8.314 9.171 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.429 -6.724 7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.373 -9.047 6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.196 -8.597 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.432 -6.766 8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.004 -5.956 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.394 -7.618 9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.517 -10.799 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.632 -9.642 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.962 -10.098 8.553 1.00 0.00 H new ATOM 783 N LEU A 50 -2.760 -5.540 7.587 1.00 0.00 N ATOM 784 CA LEU A 50 -3.340 -4.222 7.726 1.00 0.00 C ATOM 785 C LEU A 50 -4.868 -4.281 7.826 1.00 0.00 C ATOM 786 O LEU A 50 -5.482 -3.443 8.487 1.00 0.00 O ATOM 787 CB LEU A 50 -2.904 -3.378 6.535 1.00 0.00 C ATOM 788 CG LEU A 50 -3.376 -3.876 5.170 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.723 -3.272 4.821 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.348 -3.543 4.099 1.00 0.00 C ATOM 0 H LEU A 50 -2.578 -5.815 6.622 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.986 -3.771 8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.270 -2.361 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.815 -3.326 6.527 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.487 -4.959 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.044 -3.638 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.456 -3.558 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.638 -2.186 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.699 -3.904 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.207 -2.463 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.400 -4.023 4.343 1.00 0.00 H new ATOM 802 N ASP A 51 -5.479 -5.272 7.179 1.00 0.00 N ATOM 803 CA ASP A 51 -6.936 -5.416 7.209 1.00 0.00 C ATOM 804 C ASP A 51 -7.379 -6.358 8.324 1.00 0.00 C ATOM 805 O ASP A 51 -8.226 -7.224 8.117 1.00 0.00 O ATOM 806 CB ASP A 51 -7.452 -5.943 5.867 1.00 0.00 C ATOM 807 CG ASP A 51 -8.962 -5.855 5.744 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.651 -6.784 6.214 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.453 -4.861 5.173 1.00 0.00 O ATOM 0 H ASP A 51 -4.994 -5.983 6.631 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.356 -4.428 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.992 -5.376 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.142 -6.981 5.745 1.00 0.00 H new ATOM 814 N LYS A 52 -6.798 -6.192 9.505 1.00 0.00 N ATOM 815 CA LYS A 52 -7.141 -7.030 10.644 1.00 0.00 C ATOM 816 C LYS A 52 -8.548 -6.714 11.155 1.00 0.00 C ATOM 817 O LYS A 52 -9.372 -7.613 11.327 1.00 0.00 O ATOM 818 CB LYS A 52 -6.117 -6.835 11.759 1.00 0.00 C ATOM 819 CG LYS A 52 -6.223 -5.482 12.436 1.00 0.00 C ATOM 820 CD LYS A 52 -5.078 -5.235 13.395 1.00 0.00 C ATOM 821 CE LYS A 52 -5.025 -6.290 14.486 1.00 0.00 C ATOM 822 NZ LYS A 52 -3.917 -6.041 15.450 1.00 0.00 N ATOM 0 H LYS A 52 -6.088 -5.485 9.698 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.126 -8.071 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.248 -7.619 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.114 -6.951 11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.237 -4.698 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.168 -5.420 12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.137 -5.232 12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.187 -4.249 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.974 -6.306 15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.898 -7.273 14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.917 -6.784 16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.008 -6.051 14.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.052 -5.114 15.902 1.00 0.00 H new ATOM 836 N ASP A 53 -8.816 -5.431 11.395 1.00 0.00 N ATOM 837 CA ASP A 53 -10.118 -4.996 11.889 1.00 0.00 C ATOM 838 C ASP A 53 -10.830 -4.099 10.873 1.00 0.00 C ATOM 839 O ASP A 53 -11.918 -3.593 11.143 1.00 0.00 O ATOM 840 CB ASP A 53 -9.956 -4.250 13.213 1.00 0.00 C ATOM 841 CG ASP A 53 -11.277 -3.739 13.756 1.00 0.00 C ATOM 842 OD1 ASP A 53 -11.954 -4.497 14.483 1.00 0.00 O ATOM 843 OD2 ASP A 53 -11.635 -2.582 13.454 1.00 0.00 O ATOM 0 H ASP A 53 -8.146 -4.675 11.254 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.729 -5.885 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.497 -4.913 13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.275 -3.410 13.073 1.00 0.00 H new ATOM 848 N LYS A 54 -10.212 -3.902 9.710 1.00 0.00 N ATOM 849 CA LYS A 54 -10.792 -3.058 8.673 1.00 0.00 C ATOM 850 C LYS A 54 -12.047 -3.691 8.066 1.00 0.00 C ATOM 851 O LYS A 54 -12.789 -3.033 7.339 1.00 0.00 O ATOM 852 CB LYS A 54 -9.761 -2.773 7.592 1.00 0.00 C ATOM 853 CG LYS A 54 -8.398 -2.392 8.147 1.00 0.00 C ATOM 854 CD LYS A 54 -8.474 -1.126 8.982 1.00 0.00 C ATOM 855 CE LYS A 54 -7.119 -0.758 9.558 1.00 0.00 C ATOM 856 NZ LYS A 54 -7.187 0.460 10.412 1.00 0.00 N ATOM 0 H LYS A 54 -9.312 -4.315 9.465 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.091 -2.117 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.655 -3.654 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.125 -1.966 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.010 -3.209 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.697 -2.246 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.845 -0.305 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.189 -1.266 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.737 -1.592 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.413 -0.591 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.494 0.382 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.972 1.299 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.143 0.550 10.812 1.00 0.00 H new ATOM 870 N SER A 55 -12.271 -4.971 8.368 1.00 0.00 N ATOM 871 CA SER A 55 -13.448 -5.694 7.883 1.00 0.00 C ATOM 872 C SER A 55 -13.330 -6.099 6.411 1.00 0.00 C ATOM 873 O SER A 55 -14.287 -5.966 5.647 1.00 0.00 O ATOM 874 CB SER A 55 -14.715 -4.859 8.088 1.00 0.00 C ATOM 875 OG SER A 55 -15.879 -5.637 7.865 1.00 0.00 O ATOM 0 H SER A 55 -11.648 -5.531 8.950 1.00 0.00 H new ATOM 0 HA SER A 55 -13.511 -6.610 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.730 -4.458 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.707 -4.007 7.408 1.00 0.00 H new ATOM 0 HG SER A 55 -15.829 -6.055 6.980 1.00 0.00 H new ATOM 881 N GLY A 56 -12.163 -6.598 6.019 1.00 0.00 N ATOM 882 CA GLY A 56 -11.970 -7.045 4.647 1.00 0.00 C ATOM 883 C GLY A 56 -11.705 -5.923 3.655 1.00 0.00 C ATOM 884 O GLY A 56 -11.480 -6.184 2.474 1.00 0.00 O ATOM 0 H GLY A 56 -11.348 -6.702 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.134 -7.744 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.856 -7.595 4.328 1.00 0.00 H new ATOM 888 N PHE A 57 -11.740 -4.682 4.118 1.00 0.00 N ATOM 889 CA PHE A 57 -11.487 -3.540 3.242 1.00 0.00 C ATOM 890 C PHE A 57 -10.905 -2.375 4.027 1.00 0.00 C ATOM 891 O PHE A 57 -11.284 -2.135 5.172 1.00 0.00 O ATOM 892 CB PHE A 57 -12.773 -3.102 2.532 1.00 0.00 C ATOM 893 CG PHE A 57 -13.363 -4.172 1.659 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.229 -5.116 2.186 1.00 0.00 C ATOM 895 CD2 PHE A 57 -13.046 -4.236 0.312 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.770 -6.104 1.386 1.00 0.00 C ATOM 897 CE2 PHE A 57 -13.584 -5.222 -0.494 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.447 -6.157 0.043 1.00 0.00 C ATOM 0 H PHE A 57 -11.939 -4.438 5.088 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.762 -3.852 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.509 -2.805 3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.563 -2.222 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.484 -5.079 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.371 -3.508 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.444 -6.834 1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.330 -5.261 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.869 -6.928 -0.585 1.00 0.00 H new ATOM 908 N ILE A 58 -9.989 -1.650 3.397 1.00 0.00 N ATOM 909 CA ILE A 58 -9.351 -0.507 4.039 1.00 0.00 C ATOM 910 C ILE A 58 -9.928 0.781 3.500 1.00 0.00 C ATOM 911 O ILE A 58 -10.149 0.925 2.304 1.00 0.00 O ATOM 912 CB ILE A 58 -7.810 -0.482 3.852 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.273 -1.775 3.227 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.131 -0.222 5.185 1.00 0.00 C ATOM 915 CD1 ILE A 58 -7.521 -3.006 4.061 1.00 0.00 C ATOM 0 H ILE A 58 -9.672 -1.832 2.445 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.552 -0.605 5.106 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.581 0.327 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.733 -1.912 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.201 -1.669 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.050 -0.206 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.460 0.739 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.395 -1.012 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.112 -3.879 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.037 -2.892 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.593 -3.139 4.204 1.00 0.00 H new ATOM 927 N GLU A 59 -10.125 1.727 4.394 1.00 0.00 N ATOM 928 CA GLU A 59 -10.705 3.003 4.038 1.00 0.00 C ATOM 929 C GLU A 59 -9.642 4.076 3.938 1.00 0.00 C ATOM 930 O GLU A 59 -8.961 4.393 4.905 1.00 0.00 O ATOM 931 CB GLU A 59 -11.722 3.389 5.094 1.00 0.00 C ATOM 932 CG GLU A 59 -13.126 2.885 4.810 1.00 0.00 C ATOM 933 CD GLU A 59 -14.100 3.218 5.923 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.599 4.362 5.951 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.365 2.334 6.764 1.00 0.00 O ATOM 0 H GLU A 59 -9.889 1.634 5.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.186 2.913 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.395 3.000 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.747 4.475 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.483 3.321 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.099 1.805 4.667 1.00 0.00 H new ATOM 942 N GLU A 60 -9.543 4.646 2.748 1.00 0.00 N ATOM 943 CA GLU A 60 -8.569 5.689 2.442 1.00 0.00 C ATOM 944 C GLU A 60 -8.363 6.656 3.610 1.00 0.00 C ATOM 945 O GLU A 60 -7.272 7.196 3.784 1.00 0.00 O ATOM 946 CB GLU A 60 -9.039 6.459 1.218 1.00 0.00 C ATOM 947 CG GLU A 60 -10.447 6.967 1.394 1.00 0.00 C ATOM 948 CD GLU A 60 -10.718 8.244 0.624 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.062 8.155 -0.574 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.589 9.335 1.218 1.00 0.00 O ATOM 0 H GLU A 60 -10.140 4.398 1.959 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.610 5.207 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.368 7.298 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.990 5.815 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.148 6.198 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.634 7.142 2.453 1.00 0.00 H new ATOM 957 N ASP A 61 -9.412 6.877 4.398 1.00 0.00 N ATOM 958 CA ASP A 61 -9.325 7.788 5.538 1.00 0.00 C ATOM 959 C ASP A 61 -8.444 7.205 6.634 1.00 0.00 C ATOM 960 O ASP A 61 -7.506 7.850 7.102 1.00 0.00 O ATOM 961 CB ASP A 61 -10.721 8.074 6.092 1.00 0.00 C ATOM 962 CG ASP A 61 -10.686 8.965 7.320 1.00 0.00 C ATOM 963 OD1 ASP A 61 -10.599 10.200 7.157 1.00 0.00 O ATOM 964 OD2 ASP A 61 -10.745 8.426 8.445 1.00 0.00 O ATOM 0 H ASP A 61 -10.326 6.442 4.271 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.877 8.720 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.325 8.549 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.209 7.132 6.344 1.00 0.00 H new ATOM 969 N GLU A 62 -8.753 5.980 7.042 1.00 0.00 N ATOM 970 CA GLU A 62 -7.976 5.299 8.069 1.00 0.00 C ATOM 971 C GLU A 62 -6.757 4.623 7.442 1.00 0.00 C ATOM 972 O GLU A 62 -5.811 4.247 8.135 1.00 0.00 O ATOM 973 CB GLU A 62 -8.839 4.264 8.791 1.00 0.00 C ATOM 974 CG GLU A 62 -8.171 3.661 10.016 1.00 0.00 C ATOM 975 CD GLU A 62 -7.986 4.669 11.134 1.00 0.00 C ATOM 976 OE1 GLU A 62 -6.937 5.345 11.155 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.891 4.784 11.987 1.00 0.00 O ATOM 0 H GLU A 62 -9.536 5.438 6.677 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.636 6.036 8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.776 4.732 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.091 3.464 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.771 2.827 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.200 3.255 9.733 1.00 0.00 H new ATOM 984 N LEU A 63 -6.797 4.476 6.118 1.00 0.00 N ATOM 985 CA LEU A 63 -5.721 3.859 5.366 1.00 0.00 C ATOM 986 C LEU A 63 -4.387 4.482 5.732 1.00 0.00 C ATOM 987 O LEU A 63 -3.400 3.786 5.965 1.00 0.00 O ATOM 988 CB LEU A 63 -5.999 4.028 3.864 1.00 0.00 C ATOM 989 CG LEU A 63 -5.313 3.031 2.907 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.788 1.796 3.629 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.289 2.623 1.816 1.00 0.00 C ATOM 0 H LEU A 63 -7.580 4.784 5.542 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.672 2.798 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.076 3.960 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.699 5.035 3.575 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.450 3.534 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.315 1.128 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.057 2.097 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.616 1.279 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.805 1.919 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.162 2.151 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.601 3.506 1.258 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.377 5.802 5.791 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.169 6.523 6.134 1.00 0.00 C ATOM 1005 C GLY A 64 -2.632 6.119 7.492 1.00 0.00 C ATOM 1006 O GLY A 64 -1.440 6.260 7.766 1.00 0.00 O ATOM 0 H GLY A 64 -5.188 6.392 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.409 6.339 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.372 7.594 6.129 1.00 0.00 H new ATOM 1010 N SER A 65 -3.516 5.616 8.347 1.00 0.00 N ATOM 1011 CA SER A 65 -3.128 5.174 9.681 1.00 0.00 C ATOM 1012 C SER A 65 -2.609 3.746 9.618 1.00 0.00 C ATOM 1013 O SER A 65 -1.462 3.469 9.970 1.00 0.00 O ATOM 1014 CB SER A 65 -4.321 5.248 10.631 1.00 0.00 C ATOM 1015 OG SER A 65 -3.950 4.883 11.948 1.00 0.00 O ATOM 0 H SER A 65 -4.508 5.504 8.139 1.00 0.00 H new ATOM 0 HA SER A 65 -2.341 5.829 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.726 6.260 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.113 4.588 10.277 1.00 0.00 H new ATOM 0 HG SER A 65 -4.683 5.091 12.564 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.467 2.844 9.154 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.104 1.441 9.011 1.00 0.00 C ATOM 1023 C ILE A 66 -1.916 1.285 8.059 1.00 0.00 C ATOM 1024 O ILE A 66 -1.266 0.241 8.028 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.289 0.608 8.491 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.967 -0.879 8.553 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.648 1.024 7.075 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.848 -1.413 9.964 1.00 0.00 C ATOM 0 H ILE A 66 -4.422 3.062 8.870 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.825 1.074 9.999 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.151 0.795 9.132 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.745 -1.433 8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.032 -1.063 8.024 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.488 0.426 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.924 2.078 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.790 0.867 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.618 -2.478 9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.051 -0.885 10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.790 -1.261 10.491 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.638 2.340 7.281 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.519 2.345 6.341 1.00 0.00 C ATOM 1042 C LEU A 67 0.741 1.789 6.996 1.00 0.00 C ATOM 1043 O LEU A 67 1.603 1.205 6.333 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.264 3.790 5.887 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.267 4.046 4.375 1.00 0.00 C ATOM 1046 CD1 LEU A 67 1.109 3.787 3.788 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.311 3.199 3.667 1.00 0.00 C ATOM 0 H LEU A 67 -2.179 3.204 7.288 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.768 1.715 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.021 4.429 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.700 4.107 6.284 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.526 5.093 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.088 3.974 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.836 4.450 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.393 2.751 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.284 3.407 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.099 2.143 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.300 3.438 4.058 1.00 0.00 H new ATOM 1059 N LYS A 68 0.821 1.955 8.307 1.00 0.00 N ATOM 1060 CA LYS A 68 1.962 1.499 9.075 1.00 0.00 C ATOM 1061 C LYS A 68 2.327 0.050 8.763 1.00 0.00 C ATOM 1062 O LYS A 68 3.445 -0.374 9.043 1.00 0.00 O ATOM 1063 CB LYS A 68 1.674 1.667 10.558 1.00 0.00 C ATOM 1064 CG LYS A 68 1.369 3.107 10.941 1.00 0.00 C ATOM 1065 CD LYS A 68 0.611 3.185 12.254 1.00 0.00 C ATOM 1066 CE LYS A 68 1.413 2.586 13.398 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.682 2.672 14.693 1.00 0.00 N ATOM 0 H LYS A 68 0.097 2.409 8.865 1.00 0.00 H new ATOM 0 HA LYS A 68 2.821 2.109 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.829 1.036 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.532 1.317 11.132 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.300 3.668 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.782 3.578 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.377 4.226 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.338 2.658 12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.638 1.543 13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.367 3.106 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.262 2.253 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.489 3.669 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.217 2.154 14.619 1.00 0.00 H new ATOM 1081 N GLY A 69 1.391 -0.720 8.198 1.00 0.00 N ATOM 1082 CA GLY A 69 1.697 -2.104 7.846 1.00 0.00 C ATOM 1083 C GLY A 69 3.044 -2.203 7.152 1.00 0.00 C ATOM 1084 O GLY A 69 3.916 -2.968 7.562 1.00 0.00 O ATOM 0 H GLY A 69 0.442 -0.417 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.701 -2.720 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.918 -2.498 7.194 1.00 0.00 H new ATOM 1088 N PHE A 70 3.198 -1.415 6.093 1.00 0.00 N ATOM 1089 CA PHE A 70 4.452 -1.347 5.358 1.00 0.00 C ATOM 1090 C PHE A 70 5.235 -0.133 5.853 1.00 0.00 C ATOM 1091 O PHE A 70 6.431 -0.198 6.125 1.00 0.00 O ATOM 1092 CB PHE A 70 4.216 -1.246 3.838 1.00 0.00 C ATOM 1093 CG PHE A 70 2.851 -0.743 3.441 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.734 -1.549 3.601 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.682 0.529 2.906 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.479 -1.101 3.236 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.424 0.981 2.536 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.323 0.163 2.705 1.00 0.00 C ATOM 0 H PHE A 70 2.463 -0.811 5.724 1.00 0.00 H new ATOM 0 HA PHE A 70 5.017 -2.262 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.970 -0.584 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.368 -2.230 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.846 -2.540 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.540 1.172 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.381 -1.741 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.305 1.969 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.659 0.513 2.422 1.00 0.00 H new ATOM 1108 N SER A 71 4.491 0.961 6.005 1.00 0.00 N ATOM 1109 CA SER A 71 4.988 2.258 6.456 1.00 0.00 C ATOM 1110 C SER A 71 5.435 2.278 7.919 1.00 0.00 C ATOM 1111 O SER A 71 5.763 3.339 8.439 1.00 0.00 O ATOM 1112 CB SER A 71 3.932 3.332 6.227 1.00 0.00 C ATOM 1113 OG SER A 71 3.497 3.336 4.879 1.00 0.00 O ATOM 0 H SER A 71 3.490 0.968 5.810 1.00 0.00 H new ATOM 0 HA SER A 71 5.877 2.462 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.082 3.158 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.340 4.309 6.484 1.00 0.00 H new ATOM 0 HG SER A 71 3.861 4.122 4.420 1.00 0.00 H new ATOM 1119 N SER A 72 5.402 1.142 8.612 1.00 0.00 N ATOM 1120 CA SER A 72 5.811 1.109 10.020 1.00 0.00 C ATOM 1121 C SER A 72 7.113 1.890 10.233 1.00 0.00 C ATOM 1122 O SER A 72 7.382 2.374 11.334 1.00 0.00 O ATOM 1123 CB SER A 72 5.992 -0.336 10.486 1.00 0.00 C ATOM 1124 OG SER A 72 6.457 -0.386 11.825 1.00 0.00 O ATOM 0 H SER A 72 5.102 0.244 8.232 1.00 0.00 H new ATOM 0 HA SER A 72 5.025 1.581 10.609 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.044 -0.868 10.407 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.700 -0.846 9.833 1.00 0.00 H new ATOM 0 HG SER A 72 6.563 -1.321 12.100 1.00 0.00 H new ATOM 1130 N ASP A 73 7.916 2.010 9.179 1.00 0.00 N ATOM 1131 CA ASP A 73 9.161 2.768 9.241 1.00 0.00 C ATOM 1132 C ASP A 73 9.089 3.970 8.298 1.00 0.00 C ATOM 1133 O ASP A 73 10.085 4.359 7.687 1.00 0.00 O ATOM 1134 CB ASP A 73 10.347 1.883 8.875 1.00 0.00 C ATOM 1135 CG ASP A 73 10.281 0.520 9.536 1.00 0.00 C ATOM 1136 OD1 ASP A 73 10.754 0.393 10.684 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.759 -0.421 8.903 1.00 0.00 O ATOM 0 H ASP A 73 7.725 1.590 8.269 1.00 0.00 H new ATOM 0 HA ASP A 73 9.300 3.125 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.382 1.757 7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.271 2.381 9.168 1.00 0.00 H new ATOM 1142 N ALA A 74 7.894 4.550 8.193 1.00 0.00 N ATOM 1143 CA ALA A 74 7.650 5.697 7.323 1.00 0.00 C ATOM 1144 C ALA A 74 6.696 6.694 7.982 1.00 0.00 C ATOM 1145 O ALA A 74 6.568 6.722 9.207 1.00 0.00 O ATOM 1146 CB ALA A 74 7.075 5.224 5.994 1.00 0.00 C ATOM 0 H ALA A 74 7.070 4.238 8.708 1.00 0.00 H new ATOM 0 HA ALA A 74 8.600 6.202 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.895 6.084 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.782 4.550 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.136 4.699 6.170 1.00 0.00 H new ATOM 1152 N ARG A 75 6.025 7.511 7.167 1.00 0.00 N ATOM 1153 CA ARG A 75 5.082 8.499 7.683 1.00 0.00 C ATOM 1154 C ARG A 75 3.636 8.045 7.494 1.00 0.00 C ATOM 1155 O ARG A 75 3.066 7.410 8.383 1.00 0.00 O ATOM 1156 CB ARG A 75 5.315 9.858 7.018 1.00 0.00 C ATOM 1157 CG ARG A 75 6.685 10.445 7.317 1.00 0.00 C ATOM 1158 CD ARG A 75 6.897 11.771 6.605 1.00 0.00 C ATOM 1159 NE ARG A 75 6.022 12.820 7.121 1.00 0.00 N ATOM 1160 CZ ARG A 75 6.160 14.107 6.816 1.00 0.00 C ATOM 1161 NH1 ARG A 75 7.133 14.497 6.004 1.00 0.00 N ATOM 1162 NH2 ARG A 75 5.328 15.005 7.324 1.00 0.00 N ATOM 0 H ARG A 75 6.118 7.506 6.151 1.00 0.00 H new ATOM 0 HA ARG A 75 5.257 8.600 8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.200 9.752 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.547 10.555 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.793 10.588 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.458 9.740 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.936 12.079 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.716 11.642 5.538 1.00 0.00 H new ATOM 0 HE ARG A 75 5.264 12.551 7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.777 13.810 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.238 15.484 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.579 14.710 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.436 15.991 7.088 1.00 0.00 H new ATOM 1176 N ASP A 76 3.043 8.357 6.341 1.00 0.00 N ATOM 1177 CA ASP A 76 1.659 7.973 6.075 1.00 0.00 C ATOM 1178 C ASP A 76 1.153 8.526 4.738 1.00 0.00 C ATOM 1179 O ASP A 76 1.783 9.390 4.129 1.00 0.00 O ATOM 1180 CB ASP A 76 0.761 8.469 7.208 1.00 0.00 C ATOM 1181 CG ASP A 76 0.971 9.940 7.511 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.288 10.778 6.887 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.821 10.253 8.372 1.00 0.00 O ATOM 0 H ASP A 76 3.495 8.870 5.584 1.00 0.00 H new ATOM 0 HA ASP A 76 1.625 6.885 6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.282 8.301 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.958 7.884 8.106 1.00 0.00 H new ATOM 1188 N LEU A 77 0.004 8.009 4.297 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.624 8.431 3.044 1.00 0.00 C ATOM 1190 C LEU A 77 -1.573 9.613 3.305 1.00 0.00 C ATOM 1191 O LEU A 77 -2.722 9.448 3.713 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.335 7.227 2.407 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.795 6.998 2.785 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.710 7.760 1.849 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.118 5.522 2.731 1.00 0.00 C ATOM 0 H LEU A 77 -0.516 7.288 4.797 1.00 0.00 H new ATOM 0 HA LEU A 77 0.128 8.782 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.280 7.337 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.774 6.329 2.665 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.952 7.362 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.748 7.586 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.490 8.826 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.551 7.418 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.162 5.368 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.947 5.149 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.478 4.984 3.430 1.00 0.00 H new ATOM 1207 N SER A 78 -1.059 10.821 3.104 1.00 0.00 N ATOM 1208 CA SER A 78 -1.835 12.036 3.330 1.00 0.00 C ATOM 1209 C SER A 78 -2.951 12.189 2.302 1.00 0.00 C ATOM 1210 O SER A 78 -3.225 11.278 1.521 1.00 0.00 O ATOM 1211 CB SER A 78 -0.918 13.262 3.290 1.00 0.00 C ATOM 1212 OG SER A 78 -1.646 14.452 3.534 1.00 0.00 O ATOM 0 H SER A 78 -0.105 10.986 2.784 1.00 0.00 H new ATOM 0 HA SER A 78 -2.294 11.957 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.130 13.155 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.430 13.323 2.317 1.00 0.00 H new ATOM 0 HG SER A 78 -2.193 14.341 4.339 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.591 13.355 2.316 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.679 13.652 1.391 1.00 0.00 C ATOM 1220 C ALA A 79 -4.298 13.290 -0.035 1.00 0.00 C ATOM 1221 O ALA A 79 -5.038 12.600 -0.736 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.033 15.126 1.466 1.00 0.00 C ATOM 0 H ALA A 79 -3.373 14.113 2.962 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.543 13.053 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.846 15.341 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.346 15.374 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.161 15.724 1.199 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.130 13.761 -0.454 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.635 13.492 -1.796 1.00 0.00 C ATOM 1230 C LYS A 80 -2.715 12.004 -2.116 1.00 0.00 C ATOM 1231 O LYS A 80 -3.309 11.610 -3.110 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.188 13.971 -1.926 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.044 15.485 -1.916 1.00 0.00 C ATOM 1234 CD LYS A 80 0.362 15.917 -2.303 1.00 0.00 C ATOM 1235 CE LYS A 80 0.705 15.493 -3.722 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.286 16.003 -4.709 1.00 0.00 N ATOM 0 H LYS A 80 -2.508 14.332 0.118 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.261 14.033 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.601 13.553 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.767 13.581 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.763 15.924 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.282 15.867 -0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.448 17.000 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.081 15.483 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.698 15.861 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.744 14.405 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.091 15.886 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.174 15.469 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.469 17.011 -4.529 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.121 11.189 -1.257 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.122 9.743 -1.426 1.00 0.00 C ATOM 1252 C GLU A 81 -3.512 9.166 -1.210 1.00 0.00 C ATOM 1253 O GLU A 81 -3.841 8.116 -1.759 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.139 9.109 -0.445 1.00 0.00 C ATOM 1255 CG GLU A 81 0.242 9.740 -0.504 1.00 0.00 C ATOM 1256 CD GLU A 81 0.435 10.846 0.507 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.015 11.979 0.242 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.035 10.581 1.569 1.00 0.00 O ATOM 0 H GLU A 81 -1.626 11.510 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.816 9.518 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.533 9.201 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.056 8.043 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.994 8.969 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.410 10.138 -1.505 1.00 0.00 H new ATOM 1265 N THR A 82 -4.334 9.828 -0.403 1.00 0.00 N ATOM 1266 CA THR A 82 -5.679 9.327 -0.188 1.00 0.00 C ATOM 1267 C THR A 82 -6.396 9.289 -1.530 1.00 0.00 C ATOM 1268 O THR A 82 -6.943 8.263 -1.943 1.00 0.00 O ATOM 1269 CB THR A 82 -6.467 10.227 0.782 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.763 10.342 2.023 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.857 9.664 1.032 1.00 0.00 C ATOM 0 H THR A 82 -4.100 10.686 0.097 1.00 0.00 H new ATOM 0 HA THR A 82 -5.617 8.332 0.252 1.00 0.00 H new ATOM 0 HB THR A 82 -6.568 11.213 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.822 10.550 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.395 10.316 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.400 9.604 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.773 8.668 1.467 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.362 10.430 -2.205 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.945 10.570 -3.527 1.00 0.00 C ATOM 1281 C LYS A 83 -6.039 9.964 -4.599 1.00 0.00 C ATOM 1282 O LYS A 83 -6.514 9.494 -5.630 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.202 12.045 -3.841 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.124 12.726 -2.842 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.420 11.951 -2.663 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.195 11.855 -3.967 1.00 0.00 C ATOM 1287 NZ LYS A 83 -10.632 13.192 -4.453 1.00 0.00 N ATOM 0 H LYS A 83 -5.929 11.282 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.892 10.030 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.250 12.575 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.636 12.126 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.618 12.817 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.347 13.737 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.198 10.949 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.036 12.439 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.573 11.379 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.068 11.218 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.309 13.073 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.087 13.712 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.806 13.726 -4.789 1.00 0.00 H new ATOM 1301 N THR A 84 -4.726 10.006 -4.364 1.00 0.00 N ATOM 1302 CA THR A 84 -3.766 9.518 -5.345 1.00 0.00 C ATOM 1303 C THR A 84 -3.449 8.031 -5.223 1.00 0.00 C ATOM 1304 O THR A 84 -3.672 7.261 -6.156 1.00 0.00 O ATOM 1305 CB THR A 84 -2.447 10.313 -5.270 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.710 11.711 -5.446 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.466 9.849 -6.337 1.00 0.00 C ATOM 0 H THR A 84 -4.309 10.371 -3.508 1.00 0.00 H new ATOM 0 HA THR A 84 -4.252 9.667 -6.309 1.00 0.00 H new ATOM 0 HB THR A 84 -2.004 10.139 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.225 12.046 -4.683 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.545 10.427 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.244 8.792 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.905 9.996 -7.324 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.981 7.626 -4.056 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.579 6.241 -3.835 1.00 0.00 C ATOM 1317 C LEU A 85 -3.768 5.310 -3.696 1.00 0.00 C ATOM 1318 O LEU A 85 -3.837 4.283 -4.372 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.707 6.142 -2.587 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.807 4.906 -2.513 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -1.620 3.629 -2.646 1.00 0.00 C ATOM 1322 CD2 LEU A 85 0.262 4.973 -3.591 1.00 0.00 C ATOM 0 H LEU A 85 -2.868 8.233 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.014 5.928 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.080 7.032 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.354 6.153 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.322 4.893 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.955 2.767 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.351 3.577 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.138 3.626 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.897 4.089 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.212 5.012 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.869 5.866 -3.446 1.00 0.00 H new ATOM 1334 N MET A 86 -4.716 5.659 -2.837 1.00 0.00 N ATOM 1335 CA MET A 86 -5.877 4.792 -2.657 1.00 0.00 C ATOM 1336 C MET A 86 -6.841 4.877 -3.838 1.00 0.00 C ATOM 1337 O MET A 86 -7.207 3.851 -4.407 1.00 0.00 O ATOM 1338 CB MET A 86 -6.599 5.100 -1.345 1.00 0.00 C ATOM 1339 CG MET A 86 -5.668 5.512 -0.208 1.00 0.00 C ATOM 1340 SD MET A 86 -4.108 4.596 -0.153 1.00 0.00 S ATOM 1341 CE MET A 86 -4.641 2.933 -0.551 1.00 0.00 C ATOM 0 H MET A 86 -4.710 6.507 -2.270 1.00 0.00 H new ATOM 0 HA MET A 86 -5.506 3.768 -2.611 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.321 5.898 -1.518 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.164 4.220 -1.038 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.448 6.575 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.189 5.376 0.740 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.254 2.239 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.730 2.891 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.264 2.656 -1.535 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.236 6.086 -4.224 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.154 6.255 -5.352 1.00 0.00 C ATOM 1353 C ALA A 87 -7.583 5.645 -6.631 1.00 0.00 C ATOM 1354 O ALA A 87 -8.337 5.161 -7.476 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.487 7.723 -5.563 1.00 0.00 C ATOM 0 H ALA A 87 -6.941 6.956 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.075 5.724 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.170 7.824 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.958 8.122 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.572 8.278 -5.770 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.256 5.665 -6.784 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.635 5.086 -7.966 1.00 0.00 C ATOM 1363 C ALA A 88 -5.574 3.573 -7.829 1.00 0.00 C ATOM 1364 O ALA A 88 -5.910 2.841 -8.759 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.244 5.659 -8.185 1.00 0.00 C ATOM 0 H ALA A 88 -5.604 6.071 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.241 5.339 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.801 5.210 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.312 6.739 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.620 5.440 -7.319 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.142 3.112 -6.660 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.067 1.687 -6.418 1.00 0.00 C ATOM 1373 C GLY A 89 -6.420 1.033 -6.570 1.00 0.00 C ATOM 1374 O GLY A 89 -6.536 -0.101 -7.036 1.00 0.00 O ATOM 0 H GLY A 89 -4.844 3.698 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.361 1.234 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.684 1.506 -5.414 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.445 1.772 -6.171 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.828 1.331 -6.271 1.00 0.00 C ATOM 1380 C ASP A 90 -9.432 1.854 -7.565 1.00 0.00 C ATOM 1381 O ASP A 90 -10.579 2.266 -7.591 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.657 1.787 -5.067 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.750 3.296 -4.947 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.021 3.961 -5.969 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.560 3.816 -3.826 1.00 0.00 O ATOM 0 H ASP A 90 -7.339 2.702 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.842 0.241 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.662 1.372 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.217 1.382 -4.156 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.618 1.844 -8.623 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.975 2.343 -9.945 1.00 0.00 C ATOM 1392 C LYS A 91 -10.468 2.254 -10.256 1.00 0.00 C ATOM 1393 O LYS A 91 -11.016 3.130 -10.924 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.189 1.511 -10.940 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.194 2.036 -12.345 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.566 1.921 -12.973 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.485 1.496 -14.429 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.680 2.449 -15.242 1.00 0.00 N ATOM 0 H LYS A 91 -7.667 1.478 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.735 3.405 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.157 1.441 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.593 0.499 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.878 3.079 -12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.471 1.483 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.162 1.198 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.080 2.880 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.043 0.501 -14.493 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.491 1.425 -14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.774 2.211 -16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.023 3.418 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.680 2.385 -14.963 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.125 1.215 -9.780 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.562 1.072 -10.010 1.00 0.00 C ATOM 1414 C ASP A 92 -13.318 2.316 -9.518 1.00 0.00 C ATOM 1415 O ASP A 92 -14.453 2.567 -9.925 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.092 -0.176 -9.303 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.444 -1.450 -9.810 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -11.343 -1.789 -9.329 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -13.040 -2.110 -10.688 1.00 0.00 O ATOM 0 H ASP A 92 -10.700 0.463 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.726 0.968 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.916 -0.085 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.171 -0.240 -9.445 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.675 3.086 -8.637 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.259 4.305 -8.111 1.00 0.00 C ATOM 1426 C GLY A 93 -14.146 4.070 -6.906 1.00 0.00 C ATOM 1427 O GLY A 93 -15.287 4.530 -6.870 1.00 0.00 O ATOM 0 H GLY A 93 -11.744 2.878 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.460 4.994 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.842 4.788 -8.895 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.623 3.355 -5.918 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.378 3.079 -4.703 1.00 0.00 C ATOM 1433 C ASP A 94 -13.756 3.774 -3.491 1.00 0.00 C ATOM 1434 O ASP A 94 -14.355 3.804 -2.417 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.453 1.572 -4.458 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.164 0.838 -5.577 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.409 0.735 -5.523 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.478 0.370 -6.510 1.00 0.00 O ATOM 0 H ASP A 94 -12.684 2.958 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.385 3.472 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.444 1.174 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.972 1.385 -3.518 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.552 4.331 -3.660 1.00 0.00 N ATOM 1444 CA GLY A 95 -11.895 5.020 -2.560 1.00 0.00 C ATOM 1445 C GLY A 95 -11.296 4.091 -1.519 1.00 0.00 C ATOM 1446 O GLY A 95 -10.645 4.541 -0.575 1.00 0.00 O ATOM 0 H GLY A 95 -12.026 4.316 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.106 5.655 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.616 5.677 -2.074 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.517 2.801 -1.689 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.022 1.797 -0.752 1.00 0.00 C ATOM 1452 C LYS A 96 -10.351 0.647 -1.495 1.00 0.00 C ATOM 1453 O LYS A 96 -10.800 0.248 -2.569 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.186 1.274 0.103 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.157 2.372 0.505 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.150 1.901 1.553 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.051 3.041 1.999 1.00 0.00 C ATOM 1458 NZ LYS A 96 -15.924 2.652 3.141 1.00 0.00 N ATOM 0 H LYS A 96 -12.041 2.416 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.278 2.258 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.723 0.505 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.788 0.800 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.599 3.225 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.697 2.718 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.756 1.091 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.614 1.498 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.438 3.895 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.671 3.361 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.165 3.497 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.796 2.216 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.422 1.971 3.746 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.275 0.116 -0.919 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.554 -0.987 -1.543 1.00 0.00 C ATOM 1474 C ILE A 97 -8.858 -2.308 -0.843 1.00 0.00 C ATOM 1475 O ILE A 97 -8.482 -2.517 0.309 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.020 -0.755 -1.539 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.661 0.473 -2.385 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.279 -1.985 -2.056 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.169 0.644 -2.608 1.00 0.00 C ATOM 0 H ILE A 97 -8.887 0.429 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.897 -1.034 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.710 -0.576 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.158 0.395 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.051 1.366 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.206 -1.795 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.504 -2.840 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.597 -2.199 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.991 1.532 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.668 0.754 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.775 -0.232 -3.124 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.542 -3.186 -1.556 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.867 -4.491 -1.023 1.00 0.00 C ATOM 1493 C GLY A 98 -8.989 -5.553 -1.633 1.00 0.00 C ATOM 1494 O GLY A 98 -8.189 -5.265 -2.521 1.00 0.00 O ATOM 0 H GLY A 98 -9.881 -3.017 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.742 -4.488 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.914 -4.720 -1.223 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.128 -6.781 -1.168 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.328 -7.883 -1.693 1.00 0.00 C ATOM 1500 C VAL A 99 -8.320 -7.877 -3.223 1.00 0.00 C ATOM 1501 O VAL A 99 -7.308 -8.186 -3.852 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.849 -9.243 -1.198 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.263 -9.490 -1.702 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.917 -10.364 -1.631 1.00 0.00 C ATOM 0 H VAL A 99 -9.783 -7.044 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.312 -7.739 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.875 -9.225 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.614 -10.457 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.923 -8.704 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.267 -9.486 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.303 -11.318 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.854 -10.385 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.925 -10.194 -1.214 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.459 -7.523 -3.811 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.593 -7.470 -5.266 1.00 0.00 C ATOM 1516 C GLU A 100 -8.841 -6.281 -5.863 1.00 0.00 C ATOM 1517 O GLU A 100 -8.046 -6.439 -6.790 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.065 -7.402 -5.664 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.775 -6.199 -5.099 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.277 -6.257 -5.297 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -13.953 -6.954 -4.513 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -13.778 -5.602 -6.235 1.00 0.00 O ATOM 0 H GLU A 100 -10.305 -7.268 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.151 -8.383 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.141 -7.384 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.569 -8.307 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.556 -6.121 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.385 -5.297 -5.572 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.101 -5.094 -5.324 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.478 -3.871 -5.803 1.00 0.00 C ATOM 1531 C GLU A 101 -7.004 -3.801 -5.417 1.00 0.00 C ATOM 1532 O GLU A 101 -6.213 -3.112 -6.068 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.242 -2.674 -5.244 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.209 -2.056 -6.239 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.222 -3.056 -6.761 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -10.912 -3.758 -7.745 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -12.327 -3.136 -6.184 1.00 0.00 O ATOM 0 H GLU A 101 -9.747 -4.956 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.521 -3.858 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.795 -2.987 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.529 -1.915 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.733 -1.227 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.648 -1.641 -7.076 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.637 -4.514 -4.360 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.255 -4.533 -3.897 1.00 0.00 C ATOM 1546 C PHE A 102 -4.320 -4.882 -5.050 1.00 0.00 C ATOM 1547 O PHE A 102 -3.174 -4.443 -5.090 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.084 -5.540 -2.760 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.900 -5.258 -1.889 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.987 -4.369 -0.829 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.701 -5.885 -2.133 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.889 -4.114 -0.030 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.596 -5.640 -1.340 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.690 -4.751 -0.287 1.00 0.00 C ATOM 0 H PHE A 102 -7.276 -5.086 -3.808 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.002 -3.541 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.985 -5.541 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.985 -6.540 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.923 -3.870 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.622 -6.579 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.968 -3.419 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.662 -6.142 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.829 -4.554 0.334 1.00 0.00 H new ATOM 1564 N SER A 103 -4.823 -5.688 -5.979 1.00 0.00 N ATOM 1565 CA SER A 103 -4.050 -6.088 -7.147 1.00 0.00 C ATOM 1566 C SER A 103 -4.043 -4.978 -8.193 1.00 0.00 C ATOM 1567 O SER A 103 -3.063 -4.799 -8.916 1.00 0.00 O ATOM 1568 CB SER A 103 -4.622 -7.373 -7.749 1.00 0.00 C ATOM 1569 OG SER A 103 -3.921 -7.749 -8.924 1.00 0.00 O ATOM 0 H SER A 103 -5.765 -6.077 -5.945 1.00 0.00 H new ATOM 0 HA SER A 103 -3.024 -6.273 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.565 -8.177 -7.016 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.677 -7.229 -7.983 1.00 0.00 H new ATOM 0 HG SER A 103 -4.307 -8.574 -9.286 1.00 0.00 H new ATOM 1575 N THR A 104 -5.144 -4.233 -8.267 1.00 0.00 N ATOM 1576 CA THR A 104 -5.265 -3.146 -9.229 1.00 0.00 C ATOM 1577 C THR A 104 -4.170 -2.103 -9.032 1.00 0.00 C ATOM 1578 O THR A 104 -3.552 -1.657 -9.998 1.00 0.00 O ATOM 1579 CB THR A 104 -6.641 -2.455 -9.149 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.686 -3.428 -9.258 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.787 -1.418 -10.256 1.00 0.00 C ATOM 0 H THR A 104 -5.962 -4.364 -7.672 1.00 0.00 H new ATOM 0 HA THR A 104 -5.158 -3.598 -10.215 1.00 0.00 H new ATOM 0 HB THR A 104 -6.716 -1.951 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.556 -2.981 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.765 -0.942 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.007 -0.663 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.694 -1.906 -11.226 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.927 -1.709 -7.781 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.900 -0.712 -7.505 1.00 0.00 C ATOM 1591 C LEU A 105 -1.528 -1.202 -7.970 1.00 0.00 C ATOM 1592 O LEU A 105 -0.637 -0.399 -8.245 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.908 -0.294 -6.021 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.722 -0.692 -5.167 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.502 -2.187 -5.219 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.496 0.080 -5.621 1.00 0.00 C ATOM 0 H LEU A 105 -4.419 -2.059 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.129 0.186 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.001 0.791 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.805 -0.708 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.919 -0.439 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.645 -2.450 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.390 -2.699 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.312 -2.491 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.360 -0.204 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.287 -0.150 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.679 1.149 -5.515 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.361 -2.518 -8.065 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.093 -3.082 -8.501 1.00 0.00 C ATOM 1610 C VAL A 106 0.197 -2.662 -9.934 1.00 0.00 C ATOM 1611 O VAL A 106 1.342 -2.409 -10.303 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.087 -4.621 -8.412 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.276 -5.175 -8.797 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.477 -5.075 -7.014 1.00 0.00 C ATOM 0 H VAL A 106 -2.082 -3.206 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 106 0.680 -2.700 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.823 -5.009 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.259 -6.263 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.513 -4.880 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.034 -4.780 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.468 -6.164 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.234 -4.676 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.477 -4.711 -6.779 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.862 -2.589 -10.731 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.749 -2.189 -12.124 1.00 0.00 C ATOM 1626 C ALA A 107 -0.672 -0.669 -12.248 1.00 0.00 C ATOM 1627 O ALA A 107 -0.084 -0.143 -13.191 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.929 -2.730 -12.919 1.00 0.00 C ATOM 0 H ALA A 107 -1.813 -2.803 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 107 0.172 -2.608 -12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.836 -2.425 -13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.940 -3.818 -12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.857 -2.334 -12.507 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.269 0.029 -11.283 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.266 1.489 -11.283 1.00 0.00 C ATOM 1636 C GLU A 108 0.145 2.033 -11.144 1.00 0.00 C ATOM 1637 O GLU A 108 0.689 2.643 -12.064 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.109 2.032 -10.135 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.597 1.822 -10.335 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.236 2.920 -11.162 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.267 2.785 -12.405 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.706 3.913 -10.571 1.00 0.00 O ATOM 0 H GLU A 108 -1.759 -0.392 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.688 1.811 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.802 1.549 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.911 3.098 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.762 0.862 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.087 1.773 -9.363 1.00 0.00 H new ATOM 1649 N SER A 109 0.725 1.798 -9.976 1.00 0.00 N ATOM 1650 CA SER A 109 2.054 2.266 -9.666 1.00 0.00 C ATOM 1651 C SER A 109 3.069 1.777 -10.694 1.00 0.00 C ATOM 1652 O SER A 109 3.300 2.501 -11.686 1.00 0.00 O ATOM 1653 CB SER A 109 2.429 1.789 -8.268 1.00 0.00 C ATOM 1654 OG SER A 109 1.525 0.803 -7.802 1.00 0.00 O ATOM 1655 OXT SER A 109 3.623 0.678 -10.503 1.00 0.00 O ATOM 0 H SER A 109 0.281 1.276 -9.220 1.00 0.00 H new ATOM 0 HA SER A 109 2.065 3.355 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.440 1.382 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.433 2.635 -7.581 1.00 0.00 H new ATOM 0 HG SER A 109 1.803 0.499 -6.913 1.00 0.00 H new TER 1661 SER A 109