USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 ASP N :NH3+ -177:sc= 0 (180deg=-0.00548) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -0.0244 (180deg=-0.249) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.217 USER MOD Single : A 21 THR OG1 : rot -35:sc= 0.0961 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.0125 (180deg=-0.709) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.106 X(o=0.11,f=-0.09) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 1:sc= -0.94 USER MOD Single : A 54 SER OG : rot -15:sc= 0.801 USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 0.0159 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0457 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0885 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.62) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.443 -16.048 -3.790 1.00 0.00 N ATOM 2 CA ASP A 1 -5.884 -15.800 -3.529 1.00 0.00 C ATOM 3 C ASP A 1 -6.323 -14.451 -4.090 1.00 0.00 C ATOM 4 O ASP A 1 -6.044 -13.405 -3.505 1.00 0.00 O ATOM 5 CB ASP A 1 -6.120 -15.845 -2.018 1.00 0.00 C ATOM 6 CG ASP A 1 -5.998 -17.247 -1.455 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.942 -18.045 -1.638 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.958 -17.548 -0.831 1.00 0.00 O ATOM 0 H1 ASP A 1 -4.185 -16.994 -3.443 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.261 -15.993 -4.812 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.873 -15.331 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.475 -16.570 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.401 -15.193 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.112 -15.453 -1.796 1.00 0.00 H new ATOM 15 N TYR A 2 -7.012 -14.488 -5.229 1.00 0.00 N ATOM 16 CA TYR A 2 -7.494 -13.271 -5.876 1.00 0.00 C ATOM 17 C TYR A 2 -6.349 -12.294 -6.126 1.00 0.00 C ATOM 18 O TYR A 2 -5.178 -12.666 -6.055 1.00 0.00 O ATOM 19 CB TYR A 2 -8.574 -12.600 -5.022 1.00 0.00 C ATOM 20 CG TYR A 2 -9.487 -13.575 -4.314 1.00 0.00 C ATOM 21 CD1 TYR A 2 -10.414 -14.329 -5.022 1.00 0.00 C ATOM 22 CD2 TYR A 2 -9.421 -13.741 -2.936 1.00 0.00 C ATOM 23 CE1 TYR A 2 -11.251 -15.221 -4.376 1.00 0.00 C ATOM 24 CE2 TYR A 2 -10.253 -14.631 -2.284 1.00 0.00 C ATOM 25 CZ TYR A 2 -11.166 -15.368 -3.008 1.00 0.00 C ATOM 26 OH TYR A 2 -11.996 -16.255 -2.362 1.00 0.00 O ATOM 0 H TYR A 2 -7.249 -15.349 -5.723 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.925 -13.552 -6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.093 -11.963 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -9.175 -11.950 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -10.482 -14.217 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -8.708 -13.165 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -11.967 -15.799 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.188 -14.749 -1.212 1.00 0.00 H new ATOM 0 HH TYR A 2 -11.807 -16.239 -1.400 1.00 0.00 H new ATOM 36 N LYS A 3 -6.699 -11.043 -6.419 1.00 0.00 N ATOM 37 CA LYS A 3 -5.706 -10.005 -6.679 1.00 0.00 C ATOM 38 C LYS A 3 -4.796 -10.394 -7.840 1.00 0.00 C ATOM 39 O LYS A 3 -5.099 -10.112 -9.000 1.00 0.00 O ATOM 40 CB LYS A 3 -4.875 -9.737 -5.422 1.00 0.00 C ATOM 41 CG LYS A 3 -5.350 -8.533 -4.623 1.00 0.00 C ATOM 42 CD LYS A 3 -4.916 -7.229 -5.270 1.00 0.00 C ATOM 43 CE LYS A 3 -6.112 -6.389 -5.689 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.947 -5.990 -4.523 1.00 0.00 N ATOM 0 H LYS A 3 -7.666 -10.724 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.236 -9.093 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.902 -10.620 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.835 -9.584 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.437 -8.555 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.952 -8.588 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.299 -6.663 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.297 -7.442 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.764 -5.496 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.721 -6.952 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.468 -5.119 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.622 -6.750 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.335 -5.821 -3.699 1.00 0.00 H new ATOM 58 N ASP A 4 -3.677 -11.042 -7.524 1.00 0.00 N ATOM 59 CA ASP A 4 -2.726 -11.467 -8.544 1.00 0.00 C ATOM 60 C ASP A 4 -3.009 -12.898 -8.991 1.00 0.00 C ATOM 61 O ASP A 4 -4.032 -13.480 -8.632 1.00 0.00 O ATOM 62 CB ASP A 4 -1.295 -11.360 -8.012 1.00 0.00 C ATOM 63 CG ASP A 4 -0.627 -10.058 -8.406 1.00 0.00 C ATOM 64 OD1 ASP A 4 -1.264 -8.994 -8.255 1.00 0.00 O ATOM 65 OD2 ASP A 4 0.533 -10.100 -8.866 1.00 0.00 O ATOM 0 H ASP A 4 -3.408 -11.283 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.837 -10.809 -9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.307 -11.444 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.706 -12.196 -8.390 1.00 0.00 H new ATOM 70 N ASP A 5 -2.095 -13.459 -9.777 1.00 0.00 N ATOM 71 CA ASP A 5 -2.246 -14.822 -10.275 1.00 0.00 C ATOM 72 C ASP A 5 -1.624 -15.826 -9.310 1.00 0.00 C ATOM 73 O ASP A 5 -2.328 -16.485 -8.545 1.00 0.00 O ATOM 74 CB ASP A 5 -1.603 -14.957 -11.656 1.00 0.00 C ATOM 75 CG ASP A 5 -2.609 -15.323 -12.730 1.00 0.00 C ATOM 76 OD1 ASP A 5 -3.710 -14.733 -12.739 1.00 0.00 O ATOM 77 OD2 ASP A 5 -2.297 -16.201 -13.561 1.00 0.00 O ATOM 0 H ASP A 5 -1.242 -12.991 -10.083 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.312 -15.037 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.118 -14.017 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.824 -15.718 -11.618 1.00 0.00 H new ATOM 82 N ASP A 6 -0.301 -15.935 -9.354 1.00 0.00 N ATOM 83 CA ASP A 6 0.420 -16.858 -8.485 1.00 0.00 C ATOM 84 C ASP A 6 1.093 -16.114 -7.337 1.00 0.00 C ATOM 85 O ASP A 6 0.557 -16.043 -6.231 1.00 0.00 O ATOM 86 CB ASP A 6 1.464 -17.638 -9.288 1.00 0.00 C ATOM 87 CG ASP A 6 1.814 -16.962 -10.599 1.00 0.00 C ATOM 88 OD1 ASP A 6 2.722 -16.105 -10.601 1.00 0.00 O ATOM 89 OD2 ASP A 6 1.179 -17.289 -11.623 1.00 0.00 O ATOM 0 H ASP A 6 0.294 -15.396 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.301 -17.559 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.368 -17.751 -8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.087 -18.641 -9.490 1.00 0.00 H new ATOM 94 N ASP A 7 2.271 -15.561 -7.608 1.00 0.00 N ATOM 95 CA ASP A 7 3.020 -14.821 -6.598 1.00 0.00 C ATOM 96 C ASP A 7 3.013 -13.327 -6.901 1.00 0.00 C ATOM 97 O ASP A 7 2.667 -12.909 -8.007 1.00 0.00 O ATOM 98 CB ASP A 7 4.460 -15.332 -6.527 1.00 0.00 C ATOM 99 CG ASP A 7 4.534 -16.842 -6.410 1.00 0.00 C ATOM 100 OD1 ASP A 7 3.822 -17.406 -5.553 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.304 -17.459 -7.176 1.00 0.00 O ATOM 0 H ASP A 7 2.728 -15.611 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 7 2.537 -14.979 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.000 -15.013 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.961 -14.879 -5.671 1.00 0.00 H new ATOM 106 N LYS A 8 3.396 -12.526 -5.911 1.00 0.00 N ATOM 107 CA LYS A 8 3.435 -11.078 -6.070 1.00 0.00 C ATOM 108 C LYS A 8 4.751 -10.634 -6.699 1.00 0.00 C ATOM 109 O LYS A 8 5.571 -11.463 -7.098 1.00 0.00 O ATOM 110 CB LYS A 8 3.248 -10.393 -4.715 1.00 0.00 C ATOM 111 CG LYS A 8 1.792 -10.206 -4.323 1.00 0.00 C ATOM 112 CD LYS A 8 1.367 -8.751 -4.431 1.00 0.00 C ATOM 113 CE LYS A 8 -0.145 -8.615 -4.489 1.00 0.00 C ATOM 114 NZ LYS A 8 -0.609 -7.314 -3.931 1.00 0.00 N ATOM 0 H LYS A 8 3.684 -12.857 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 8 2.621 -10.788 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.749 -10.982 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.737 -9.419 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.160 -10.819 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.642 -10.555 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.751 -8.194 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.808 -8.308 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.478 -8.706 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.604 -9.433 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.646 -7.261 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.314 -7.238 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.191 -6.533 -4.477 1.00 0.00 H new ATOM 128 N VAL A 9 4.948 -9.322 -6.786 1.00 0.00 N ATOM 129 CA VAL A 9 6.165 -8.768 -7.368 1.00 0.00 C ATOM 130 C VAL A 9 7.269 -8.650 -6.322 1.00 0.00 C ATOM 131 O VAL A 9 7.021 -8.789 -5.126 1.00 0.00 O ATOM 132 CB VAL A 9 5.912 -7.382 -7.991 1.00 0.00 C ATOM 133 CG1 VAL A 9 5.148 -7.516 -9.299 1.00 0.00 C ATOM 134 CG2 VAL A 9 5.165 -6.485 -7.016 1.00 0.00 C ATOM 0 H VAL A 9 4.280 -8.623 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 9 6.482 -9.456 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 9 6.875 -6.920 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.979 -6.527 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.728 -8.118 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.189 -8.000 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.996 -5.511 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.206 -6.939 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.757 -6.361 -6.109 1.00 0.00 H new ATOM 144 N LYS A 10 8.489 -8.391 -6.784 1.00 0.00 N ATOM 145 CA LYS A 10 9.633 -8.253 -5.890 1.00 0.00 C ATOM 146 C LYS A 10 9.706 -6.843 -5.314 1.00 0.00 C ATOM 147 O LYS A 10 9.095 -5.913 -5.841 1.00 0.00 O ATOM 148 CB LYS A 10 10.929 -8.582 -6.632 1.00 0.00 C ATOM 149 CG LYS A 10 11.372 -10.027 -6.472 1.00 0.00 C ATOM 150 CD LYS A 10 12.626 -10.135 -5.621 1.00 0.00 C ATOM 151 CE LYS A 10 13.267 -11.508 -5.744 1.00 0.00 C ATOM 152 NZ LYS A 10 13.173 -12.281 -4.474 1.00 0.00 N ATOM 0 H LYS A 10 8.710 -8.273 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 10 9.506 -8.956 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.795 -8.367 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.721 -7.926 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.570 -10.606 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.559 -10.462 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.341 -9.370 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.377 -9.941 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.781 -12.065 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.314 -11.396 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.621 -13.211 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.659 -11.762 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.173 -12.411 -4.220 1.00 0.00 H new ATOM 166 N LEU A 11 10.458 -6.692 -4.228 1.00 0.00 N ATOM 167 CA LEU A 11 10.613 -5.395 -3.578 1.00 0.00 C ATOM 168 C LEU A 11 12.067 -5.153 -3.186 1.00 0.00 C ATOM 169 O LEU A 11 12.375 -4.929 -2.014 1.00 0.00 O ATOM 170 CB LEU A 11 9.715 -5.310 -2.343 1.00 0.00 C ATOM 171 CG LEU A 11 8.342 -4.680 -2.583 1.00 0.00 C ATOM 172 CD1 LEU A 11 7.250 -5.736 -2.513 1.00 0.00 C ATOM 173 CD2 LEU A 11 8.080 -3.571 -1.574 1.00 0.00 C ATOM 0 H LEU A 11 10.970 -7.452 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 11 10.315 -4.622 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.572 -6.315 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.233 -4.735 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 11 8.333 -4.244 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.281 -5.269 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.428 -6.495 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.257 -6.202 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.099 -3.134 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.109 -3.983 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.845 -2.801 -1.673 1.00 0.00 H new ATOM 185 N THR A 12 12.957 -5.201 -4.175 1.00 0.00 N ATOM 186 CA THR A 12 14.382 -4.988 -3.941 1.00 0.00 C ATOM 187 C THR A 12 14.945 -6.019 -2.969 1.00 0.00 C ATOM 188 O THR A 12 14.794 -5.889 -1.754 1.00 0.00 O ATOM 189 CB THR A 12 14.660 -3.574 -3.394 1.00 0.00 C ATOM 190 OG1 THR A 12 13.620 -2.677 -3.800 1.00 0.00 O ATOM 191 CG2 THR A 12 16.003 -3.057 -3.888 1.00 0.00 C ATOM 0 H THR A 12 12.715 -5.386 -5.148 1.00 0.00 H new ATOM 0 HA THR A 12 14.877 -5.098 -4.906 1.00 0.00 H new ATOM 0 HB THR A 12 14.687 -3.629 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.804 -1.782 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.177 -2.058 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.796 -3.725 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.999 -3.017 -4.977 1.00 0.00 H new ATOM 199 N CYS A 13 15.597 -7.042 -3.512 1.00 0.00 N ATOM 200 CA CYS A 13 16.185 -8.097 -2.694 1.00 0.00 C ATOM 201 C CYS A 13 17.595 -7.721 -2.249 1.00 0.00 C ATOM 202 O CYS A 13 18.404 -8.587 -1.917 1.00 0.00 O ATOM 203 CB CYS A 13 16.218 -9.414 -3.471 1.00 0.00 C ATOM 204 SG CYS A 13 16.295 -10.900 -2.418 1.00 0.00 S ATOM 0 H CYS A 13 15.732 -7.163 -4.516 1.00 0.00 H new ATOM 0 HA CYS A 13 15.565 -8.221 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 13 15.330 -9.474 -4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.081 -9.409 -4.137 1.00 0.00 H new ATOM 209 N TYR A 14 17.881 -6.423 -2.244 1.00 0.00 N ATOM 210 CA TYR A 14 19.194 -5.931 -1.840 1.00 0.00 C ATOM 211 C TYR A 14 19.063 -4.793 -0.833 1.00 0.00 C ATOM 212 O TYR A 14 19.123 -5.013 0.378 1.00 0.00 O ATOM 213 CB TYR A 14 19.985 -5.461 -3.063 1.00 0.00 C ATOM 214 CG TYR A 14 21.436 -5.155 -2.768 1.00 0.00 C ATOM 215 CD1 TYR A 14 22.372 -6.174 -2.662 1.00 0.00 C ATOM 216 CD2 TYR A 14 21.868 -3.846 -2.597 1.00 0.00 C ATOM 217 CE1 TYR A 14 23.700 -5.899 -2.392 1.00 0.00 C ATOM 218 CE2 TYR A 14 23.194 -3.562 -2.328 1.00 0.00 C ATOM 219 CZ TYR A 14 24.105 -4.591 -2.226 1.00 0.00 C ATOM 220 OH TYR A 14 25.426 -4.312 -1.959 1.00 0.00 O ATOM 0 H TYR A 14 17.222 -5.693 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 14 19.731 -6.751 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.935 -6.229 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 14 19.510 -4.568 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.058 -7.199 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 14 21.157 -3.037 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 14 24.416 -6.704 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 14 23.514 -2.539 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 14 25.544 -3.343 -1.871 1.00 0.00 H new ATOM 230 N GLN A 15 18.884 -3.578 -1.340 1.00 0.00 N ATOM 231 CA GLN A 15 18.745 -2.404 -0.485 1.00 0.00 C ATOM 232 C GLN A 15 17.465 -2.481 0.342 1.00 0.00 C ATOM 233 O GLN A 15 17.436 -2.052 1.496 1.00 0.00 O ATOM 234 CB GLN A 15 18.743 -1.129 -1.330 1.00 0.00 C ATOM 235 CG GLN A 15 20.119 -0.740 -1.848 1.00 0.00 C ATOM 236 CD GLN A 15 20.055 0.324 -2.925 1.00 0.00 C ATOM 237 OE1 GLN A 15 20.135 0.024 -4.116 1.00 0.00 O ATOM 238 NE2 GLN A 15 19.913 1.577 -2.511 1.00 0.00 N ATOM 0 H GLN A 15 18.832 -3.380 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 15 19.596 -2.379 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 15 18.070 -1.265 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 15 18.343 -0.309 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.726 -0.377 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.617 -1.624 -2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.851 1.781 -1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.866 2.336 -3.190 1.00 0.00 H new ATOM 247 N ASN A 16 16.412 -3.028 -0.259 1.00 0.00 N ATOM 248 CA ASN A 16 15.123 -3.164 0.413 1.00 0.00 C ATOM 249 C ASN A 16 14.587 -1.803 0.851 1.00 0.00 C ATOM 250 O ASN A 16 13.870 -1.140 0.102 1.00 0.00 O ATOM 251 CB ASN A 16 15.247 -4.095 1.622 1.00 0.00 C ATOM 252 CG ASN A 16 14.632 -5.457 1.369 1.00 0.00 C ATOM 253 OD1 ASN A 16 15.315 -6.480 1.423 1.00 0.00 O ATOM 254 ND2 ASN A 16 13.334 -5.477 1.090 1.00 0.00 N ATOM 0 H ASN A 16 16.426 -3.386 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 16 14.418 -3.597 -0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.300 -4.217 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.762 -3.635 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.865 -6.365 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.806 -4.605 1.056 1.00 0.00 H new ATOM 261 N GLY A 17 14.941 -1.391 2.065 1.00 0.00 N ATOM 262 CA GLY A 17 14.486 -0.111 2.576 1.00 0.00 C ATOM 263 C GLY A 17 13.988 -0.201 4.005 1.00 0.00 C ATOM 264 O GLY A 17 13.674 0.816 4.624 1.00 0.00 O ATOM 0 H GLY A 17 15.535 -1.921 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.303 0.609 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.687 0.268 1.939 1.00 0.00 H new ATOM 268 N VAL A 18 13.915 -1.420 4.530 1.00 0.00 N ATOM 269 CA VAL A 18 13.450 -1.637 5.895 1.00 0.00 C ATOM 270 C VAL A 18 14.499 -2.376 6.721 1.00 0.00 C ATOM 271 O VAL A 18 15.259 -3.189 6.195 1.00 0.00 O ATOM 272 CB VAL A 18 12.136 -2.441 5.923 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.399 -2.216 7.234 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.256 -2.073 4.738 1.00 0.00 C ATOM 0 H VAL A 18 14.172 -2.272 4.031 1.00 0.00 H new ATOM 0 HA VAL A 18 13.274 -0.652 6.328 1.00 0.00 H new ATOM 0 HB VAL A 18 12.380 -3.501 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.474 -2.792 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.027 -2.538 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.167 -1.157 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.333 -2.652 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.019 -1.010 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.784 -2.293 3.810 1.00 0.00 H new ATOM 284 N SER A 19 14.534 -2.087 8.019 1.00 0.00 N ATOM 285 CA SER A 19 15.487 -2.724 8.920 1.00 0.00 C ATOM 286 C SER A 19 15.163 -4.206 9.091 1.00 0.00 C ATOM 287 O SER A 19 14.335 -4.755 8.365 1.00 0.00 O ATOM 288 CB SER A 19 15.481 -2.022 10.280 1.00 0.00 C ATOM 289 OG SER A 19 14.648 -2.700 11.204 1.00 0.00 O ATOM 0 H SER A 19 13.913 -1.415 8.470 1.00 0.00 H new ATOM 0 HA SER A 19 16.482 -2.638 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.497 -1.973 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.135 -0.995 10.160 1.00 0.00 H new ATOM 0 HG SER A 19 14.664 -2.231 12.064 1.00 0.00 H new ATOM 295 N PHE A 20 15.820 -4.849 10.054 1.00 0.00 N ATOM 296 CA PHE A 20 15.593 -6.267 10.308 1.00 0.00 C ATOM 297 C PHE A 20 15.486 -6.552 11.802 1.00 0.00 C ATOM 298 O PHE A 20 16.125 -5.888 12.619 1.00 0.00 O ATOM 299 CB PHE A 20 16.715 -7.106 9.692 1.00 0.00 C ATOM 300 CG PHE A 20 16.420 -7.569 8.293 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.124 -7.876 7.907 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.440 -7.696 7.364 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.852 -8.301 6.622 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.173 -8.122 6.076 1.00 0.00 C ATOM 305 CZ PHE A 20 15.877 -8.425 5.705 1.00 0.00 C ATOM 0 H PHE A 20 16.509 -4.413 10.667 1.00 0.00 H new ATOM 0 HA PHE A 20 14.647 -6.541 9.842 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.634 -6.520 9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.896 -7.976 10.323 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.318 -7.782 8.620 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.455 -7.460 7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.838 -8.536 6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.977 -8.218 5.361 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.666 -8.758 4.700 1.00 0.00 H new ATOM 315 N THR A 21 14.670 -7.545 12.150 1.00 0.00 N ATOM 316 CA THR A 21 14.471 -7.922 13.546 1.00 0.00 C ATOM 317 C THR A 21 14.201 -9.417 13.678 1.00 0.00 C ATOM 318 O THR A 21 14.072 -10.126 12.681 1.00 0.00 O ATOM 319 CB THR A 21 13.298 -7.150 14.176 1.00 0.00 C ATOM 320 OG1 THR A 21 12.134 -7.265 13.348 1.00 0.00 O ATOM 321 CG2 THR A 21 13.648 -5.681 14.359 1.00 0.00 C ATOM 0 H THR A 21 14.136 -8.103 11.483 1.00 0.00 H new ATOM 0 HA THR A 21 15.391 -7.669 14.074 1.00 0.00 H new ATOM 0 HB THR A 21 13.095 -7.584 15.155 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.403 -7.277 12.406 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.802 -5.158 14.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.516 -5.592 15.013 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.877 -5.238 13.390 1.00 0.00 H new ATOM 329 N GLY A 22 14.111 -9.888 14.919 1.00 0.00 N ATOM 330 CA GLY A 22 13.851 -11.295 15.163 1.00 0.00 C ATOM 331 C GLY A 22 15.099 -12.150 15.049 1.00 0.00 C ATOM 332 O GLY A 22 15.231 -13.159 15.742 1.00 0.00 O ATOM 0 H GLY A 22 14.214 -9.320 15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.424 -11.414 16.159 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.106 -11.651 14.452 1.00 0.00 H new ATOM 336 N GLY A 23 16.013 -11.747 14.173 1.00 0.00 N ATOM 337 CA GLY A 23 17.242 -12.496 13.987 1.00 0.00 C ATOM 338 C GLY A 23 18.319 -12.104 14.978 1.00 0.00 C ATOM 339 O GLY A 23 18.273 -11.019 15.559 1.00 0.00 O ATOM 0 H GLY A 23 15.925 -10.916 13.589 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.033 -13.561 14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.610 -12.337 12.974 1.00 0.00 H new ATOM 343 N LYS A 24 19.293 -12.988 15.169 1.00 0.00 N ATOM 344 CA LYS A 24 20.389 -12.731 16.094 1.00 0.00 C ATOM 345 C LYS A 24 21.607 -12.188 15.352 1.00 0.00 C ATOM 346 O LYS A 24 22.436 -12.952 14.858 1.00 0.00 O ATOM 347 CB LYS A 24 20.763 -14.011 16.845 1.00 0.00 C ATOM 348 CG LYS A 24 20.247 -14.048 18.275 1.00 0.00 C ATOM 349 CD LYS A 24 21.350 -13.737 19.273 1.00 0.00 C ATOM 350 CE LYS A 24 21.172 -14.523 20.562 1.00 0.00 C ATOM 351 NZ LYS A 24 22.474 -14.791 21.234 1.00 0.00 N ATOM 0 H LYS A 24 19.345 -13.889 14.695 1.00 0.00 H new ATOM 0 HA LYS A 24 20.058 -11.982 16.813 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.368 -14.870 16.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.848 -14.112 16.856 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.437 -13.327 18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.830 -15.032 18.487 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.318 -13.973 18.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.352 -12.670 19.494 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.522 -13.968 21.239 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.674 -15.468 20.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.309 -15.329 22.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.086 -15.342 20.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.938 -13.889 21.464 1.00 0.00 H new ATOM 365 N ALA A 25 21.705 -10.865 15.279 1.00 0.00 N ATOM 366 CA ALA A 25 22.819 -10.218 14.597 1.00 0.00 C ATOM 367 C ALA A 25 24.150 -10.593 15.238 1.00 0.00 C ATOM 368 O ALA A 25 24.390 -10.298 16.409 1.00 0.00 O ATOM 369 CB ALA A 25 22.636 -8.706 14.606 1.00 0.00 C ATOM 0 H ALA A 25 21.026 -10.220 15.684 1.00 0.00 H new ATOM 0 HA ALA A 25 22.832 -10.568 13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.475 -8.235 14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.708 -8.449 14.095 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.594 -8.351 15.636 1.00 0.00 H new ATOM 375 N ILE A 26 25.016 -11.237 14.460 1.00 0.00 N ATOM 376 CA ILE A 26 26.326 -11.644 14.952 1.00 0.00 C ATOM 377 C ILE A 26 27.123 -10.431 15.415 1.00 0.00 C ATOM 378 O ILE A 26 28.034 -10.546 16.235 1.00 0.00 O ATOM 379 CB ILE A 26 27.131 -12.387 13.868 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.398 -11.466 12.675 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.389 -13.639 13.423 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.819 -10.956 12.605 1.00 0.00 C ATOM 0 H ILE A 26 24.833 -11.487 13.488 1.00 0.00 H new ATOM 0 HA ILE A 26 26.159 -12.319 15.791 1.00 0.00 H new ATOM 0 HB ILE A 26 28.090 -12.687 14.291 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.169 -12.003 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.718 -10.615 12.725 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.970 -14.153 12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.248 -14.301 14.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.417 -13.360 13.015 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.931 -10.310 11.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.047 -10.390 13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.505 -11.799 12.522 1.00 0.00 H new ATOM 394 N SER A 27 26.768 -9.272 14.876 1.00 0.00 N ATOM 395 CA SER A 27 27.435 -8.025 15.218 1.00 0.00 C ATOM 396 C SER A 27 26.635 -6.835 14.715 1.00 0.00 C ATOM 397 O SER A 27 25.917 -6.932 13.721 1.00 0.00 O ATOM 398 CB SER A 27 28.843 -8.000 14.628 1.00 0.00 C ATOM 399 OG SER A 27 29.702 -7.166 15.386 1.00 0.00 O ATOM 0 H SER A 27 26.016 -9.171 14.195 1.00 0.00 H new ATOM 0 HA SER A 27 27.506 -7.959 16.304 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.246 -9.012 14.600 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.802 -7.645 13.598 1.00 0.00 H new ATOM 0 HG SER A 27 30.597 -7.170 14.987 1.00 0.00 H new ATOM 405 N GLU A 28 26.757 -5.716 15.414 1.00 0.00 N ATOM 406 CA GLU A 28 26.038 -4.507 15.046 1.00 0.00 C ATOM 407 C GLU A 28 26.939 -3.285 15.170 1.00 0.00 C ATOM 408 O GLU A 28 27.725 -3.174 16.110 1.00 0.00 O ATOM 409 CB GLU A 28 24.807 -4.336 15.935 1.00 0.00 C ATOM 410 CG GLU A 28 24.387 -5.611 16.651 1.00 0.00 C ATOM 411 CD GLU A 28 24.069 -5.380 18.115 1.00 0.00 C ATOM 412 OE1 GLU A 28 22.970 -4.863 18.410 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.918 -5.718 18.967 1.00 0.00 O ATOM 0 H GLU A 28 27.348 -5.621 16.240 1.00 0.00 H new ATOM 0 HA GLU A 28 25.720 -4.601 14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.010 -3.564 16.677 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.976 -3.982 15.325 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.512 -6.030 16.155 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.185 -6.349 16.568 1.00 0.00 H new ATOM 420 N ALA A 29 26.818 -2.373 14.215 1.00 0.00 N ATOM 421 CA ALA A 29 27.623 -1.158 14.218 1.00 0.00 C ATOM 422 C ALA A 29 26.746 0.086 14.265 1.00 0.00 C ATOM 423 O ALA A 29 26.228 0.529 13.241 1.00 0.00 O ATOM 424 CB ALA A 29 28.526 -1.120 12.994 1.00 0.00 C ATOM 0 H ALA A 29 26.172 -2.451 13.430 1.00 0.00 H new ATOM 0 HA ALA A 29 28.242 -1.168 15.115 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.121 -0.207 13.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.188 -1.986 13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.916 -1.140 12.091 1.00 0.00 H new ATOM 430 N LYS A 30 26.588 0.650 15.460 1.00 0.00 N ATOM 431 CA LYS A 30 25.777 1.850 15.637 1.00 0.00 C ATOM 432 C LYS A 30 26.307 2.987 14.770 1.00 0.00 C ATOM 433 O LYS A 30 27.170 3.756 15.195 1.00 0.00 O ATOM 434 CB LYS A 30 25.766 2.274 17.107 1.00 0.00 C ATOM 435 CG LYS A 30 24.712 3.321 17.430 1.00 0.00 C ATOM 436 CD LYS A 30 24.179 3.158 18.844 1.00 0.00 C ATOM 437 CE LYS A 30 22.682 3.414 18.908 1.00 0.00 C ATOM 438 NZ LYS A 30 21.978 2.390 19.729 1.00 0.00 N ATOM 0 H LYS A 30 27.010 0.296 16.318 1.00 0.00 H new ATOM 0 HA LYS A 30 24.757 1.622 15.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.596 1.395 17.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.748 2.666 17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.140 4.317 17.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.890 3.242 16.719 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.392 2.150 19.200 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.696 3.848 19.511 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.501 4.403 19.328 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.271 3.416 17.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.974 2.360 19.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.408 1.457 19.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.060 2.636 20.736 1.00 0.00 H new ATOM 452 N ALA A 31 25.793 3.078 13.547 1.00 0.00 N ATOM 453 CA ALA A 31 26.223 4.112 12.615 1.00 0.00 C ATOM 454 C ALA A 31 25.031 4.792 11.954 1.00 0.00 C ATOM 455 O ALA A 31 23.941 4.224 11.876 1.00 0.00 O ATOM 456 CB ALA A 31 27.135 3.509 11.558 1.00 0.00 C ATOM 0 H ALA A 31 25.079 2.449 13.180 1.00 0.00 H new ATOM 0 HA ALA A 31 26.771 4.869 13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.453 4.288 10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.010 3.072 12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.597 2.734 11.012 1.00 0.00 H new ATOM 462 N ALA A 32 25.249 6.012 11.471 1.00 0.00 N ATOM 463 CA ALA A 32 24.199 6.771 10.806 1.00 0.00 C ATOM 464 C ALA A 32 24.267 6.577 9.296 1.00 0.00 C ATOM 465 O ALA A 32 23.438 7.103 8.554 1.00 0.00 O ATOM 466 CB ALA A 32 24.311 8.247 11.158 1.00 0.00 C ATOM 0 H ALA A 32 26.145 6.495 11.529 1.00 0.00 H new ATOM 0 HA ALA A 32 23.234 6.401 11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.520 8.802 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.212 8.372 12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.281 8.625 10.836 1.00 0.00 H new ATOM 472 N SER A 33 25.262 5.816 8.851 1.00 0.00 N ATOM 473 CA SER A 33 25.447 5.546 7.431 1.00 0.00 C ATOM 474 C SER A 33 25.970 4.129 7.213 1.00 0.00 C ATOM 475 O SER A 33 26.789 3.634 7.987 1.00 0.00 O ATOM 476 CB SER A 33 26.414 6.559 6.818 1.00 0.00 C ATOM 477 OG SER A 33 27.760 6.196 7.066 1.00 0.00 O ATOM 0 H SER A 33 25.954 5.375 9.456 1.00 0.00 H new ATOM 0 HA SER A 33 24.479 5.638 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.244 6.624 5.743 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.219 7.548 7.232 1.00 0.00 H new ATOM 0 HG SER A 33 28.357 6.859 6.662 1.00 0.00 H new ATOM 483 N SER A 34 25.488 3.484 6.157 1.00 0.00 N ATOM 484 CA SER A 34 25.903 2.123 5.834 1.00 0.00 C ATOM 485 C SER A 34 27.391 2.059 5.537 1.00 0.00 C ATOM 486 O SER A 34 28.039 1.045 5.788 1.00 0.00 O ATOM 487 CB SER A 34 25.126 1.609 4.630 1.00 0.00 C ATOM 488 OG SER A 34 25.740 0.458 4.078 1.00 0.00 O ATOM 0 H SER A 34 24.808 3.882 5.509 1.00 0.00 H new ATOM 0 HA SER A 34 25.693 1.496 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 34 24.104 1.372 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 34 25.065 2.390 3.873 1.00 0.00 H new ATOM 0 HG SER A 34 25.220 0.148 3.307 1.00 0.00 H new ATOM 494 N GLN A 35 27.925 3.149 5.001 1.00 0.00 N ATOM 495 CA GLN A 35 29.340 3.222 4.671 1.00 0.00 C ATOM 496 C GLN A 35 30.179 2.768 5.861 1.00 0.00 C ATOM 497 O GLN A 35 31.197 2.091 5.701 1.00 0.00 O ATOM 498 CB GLN A 35 29.701 4.650 4.260 1.00 0.00 C ATOM 499 CG GLN A 35 31.164 5.008 4.478 1.00 0.00 C ATOM 500 CD GLN A 35 31.371 5.905 5.683 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.055 7.095 5.647 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.906 5.338 6.758 1.00 0.00 N ATOM 0 H GLN A 35 27.398 3.995 4.786 1.00 0.00 H new ATOM 0 HA GLN A 35 29.552 2.557 3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.458 4.786 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.080 5.347 4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.743 4.093 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.549 5.506 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 35 32.153 4.348 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.070 5.892 7.598 1.00 0.00 H new ATOM 511 N ALA A 36 29.726 3.130 7.056 1.00 0.00 N ATOM 512 CA ALA A 36 30.413 2.747 8.280 1.00 0.00 C ATOM 513 C ALA A 36 30.161 1.277 8.589 1.00 0.00 C ATOM 514 O ALA A 36 31.025 0.588 9.131 1.00 0.00 O ATOM 515 CB ALA A 36 29.961 3.622 9.441 1.00 0.00 C ATOM 0 H ALA A 36 28.885 3.689 7.201 1.00 0.00 H new ATOM 0 HA ALA A 36 31.484 2.893 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.485 3.322 10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.187 4.665 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.887 3.507 9.587 1.00 0.00 H new ATOM 521 N CYS A 37 28.972 0.799 8.224 1.00 0.00 N ATOM 522 CA CYS A 37 28.607 -0.593 8.447 1.00 0.00 C ATOM 523 C CYS A 37 29.344 -1.495 7.464 1.00 0.00 C ATOM 524 O CYS A 37 29.492 -2.696 7.693 1.00 0.00 O ATOM 525 CB CYS A 37 27.096 -0.779 8.297 1.00 0.00 C ATOM 526 SG CYS A 37 26.536 -2.505 8.465 1.00 0.00 S ATOM 0 H CYS A 37 28.248 1.358 7.773 1.00 0.00 H new ATOM 0 HA CYS A 37 28.894 -0.868 9.462 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.590 -0.170 9.046 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.790 -0.403 7.321 1.00 0.00 H new ATOM 531 N GLN A 38 29.807 -0.902 6.368 1.00 0.00 N ATOM 532 CA GLN A 38 30.534 -1.640 5.344 1.00 0.00 C ATOM 533 C GLN A 38 31.968 -1.893 5.790 1.00 0.00 C ATOM 534 O GLN A 38 32.449 -3.026 5.751 1.00 0.00 O ATOM 535 CB GLN A 38 30.524 -0.870 4.023 1.00 0.00 C ATOM 536 CG GLN A 38 29.154 -0.799 3.369 1.00 0.00 C ATOM 537 CD GLN A 38 29.028 -1.727 2.176 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.813 -1.653 1.232 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.036 -2.609 2.216 1.00 0.00 N ATOM 0 H GLN A 38 29.690 0.091 6.167 1.00 0.00 H new ATOM 0 HA GLN A 38 30.039 -2.599 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.885 0.143 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.223 -1.342 3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.391 -1.053 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.960 0.225 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.408 -2.635 3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.902 -3.261 1.443 1.00 0.00 H new ATOM 548 N GLU A 39 32.645 -0.832 6.217 1.00 0.00 N ATOM 549 CA GLU A 39 34.023 -0.944 6.677 1.00 0.00 C ATOM 550 C GLU A 39 34.094 -1.756 7.964 1.00 0.00 C ATOM 551 O GLU A 39 35.083 -2.439 8.227 1.00 0.00 O ATOM 552 CB GLU A 39 34.624 0.445 6.898 1.00 0.00 C ATOM 553 CG GLU A 39 35.193 1.072 5.635 1.00 0.00 C ATOM 554 CD GLU A 39 36.258 0.211 4.984 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.360 0.093 5.561 1.00 0.00 O ATOM 556 OE2 GLU A 39 35.991 -0.345 3.899 1.00 0.00 O ATOM 0 H GLU A 39 32.262 0.113 6.254 1.00 0.00 H new ATOM 0 HA GLU A 39 34.600 -1.459 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.856 1.103 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.414 0.375 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.385 1.244 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.617 2.047 5.877 1.00 0.00 H new ATOM 563 N LEU A 40 33.030 -1.683 8.759 1.00 0.00 N ATOM 564 CA LEU A 40 32.962 -2.417 10.017 1.00 0.00 C ATOM 565 C LEU A 40 32.814 -3.911 9.749 1.00 0.00 C ATOM 566 O LEU A 40 33.615 -4.720 10.219 1.00 0.00 O ATOM 567 CB LEU A 40 31.787 -1.903 10.862 1.00 0.00 C ATOM 568 CG LEU A 40 31.471 -2.695 12.141 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.466 -3.800 11.851 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.735 -3.270 12.763 1.00 0.00 C ATOM 0 H LEU A 40 32.203 -1.122 8.553 1.00 0.00 H new ATOM 0 HA LEU A 40 33.887 -2.256 10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.993 -0.870 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.894 -1.893 10.237 1.00 0.00 H new ATOM 0 HG LEU A 40 31.031 -2.005 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.255 -4.350 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.544 -3.362 11.470 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.879 -4.481 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.477 -3.824 13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.218 -3.940 12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.417 -2.459 13.018 1.00 0.00 H new ATOM 582 N CYS A 41 31.783 -4.267 8.991 1.00 0.00 N ATOM 583 CA CYS A 41 31.525 -5.661 8.658 1.00 0.00 C ATOM 584 C CYS A 41 32.677 -6.249 7.848 1.00 0.00 C ATOM 585 O CYS A 41 32.912 -7.458 7.874 1.00 0.00 O ATOM 586 CB CYS A 41 30.214 -5.779 7.880 1.00 0.00 C ATOM 587 SG CYS A 41 30.228 -7.049 6.572 1.00 0.00 S ATOM 0 H CYS A 41 31.112 -3.608 8.596 1.00 0.00 H new ATOM 0 HA CYS A 41 31.440 -6.227 9.586 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.409 -6.004 8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.984 -4.813 7.430 1.00 0.00 H new ATOM 592 N GLU A 42 33.393 -5.388 7.130 1.00 0.00 N ATOM 593 CA GLU A 42 34.520 -5.827 6.314 1.00 0.00 C ATOM 594 C GLU A 42 35.665 -6.319 7.193 1.00 0.00 C ATOM 595 O GLU A 42 36.484 -7.133 6.765 1.00 0.00 O ATOM 596 CB GLU A 42 35.005 -4.684 5.418 1.00 0.00 C ATOM 597 CG GLU A 42 34.751 -4.923 3.938 1.00 0.00 C ATOM 598 CD GLU A 42 35.226 -3.772 3.073 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.372 -3.315 3.268 1.00 0.00 O ATOM 600 OE2 GLU A 42 34.450 -3.326 2.202 1.00 0.00 O ATOM 0 H GLU A 42 33.213 -4.385 7.097 1.00 0.00 H new ATOM 0 HA GLU A 42 34.184 -6.653 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.509 -3.761 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.073 -4.538 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 35.257 -5.838 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.684 -5.078 3.776 1.00 0.00 H new ATOM 607 N LYS A 43 35.716 -5.819 8.423 1.00 0.00 N ATOM 608 CA LYS A 43 36.760 -6.206 9.365 1.00 0.00 C ATOM 609 C LYS A 43 36.321 -7.403 10.202 1.00 0.00 C ATOM 610 O LYS A 43 36.959 -7.744 11.199 1.00 0.00 O ATOM 611 CB LYS A 43 37.112 -5.031 10.278 1.00 0.00 C ATOM 612 CG LYS A 43 37.833 -3.900 9.565 1.00 0.00 C ATOM 613 CD LYS A 43 39.333 -3.951 9.811 1.00 0.00 C ATOM 614 CE LYS A 43 39.829 -2.686 10.491 1.00 0.00 C ATOM 615 NZ LYS A 43 40.297 -1.672 9.506 1.00 0.00 N ATOM 0 H LYS A 43 35.046 -5.144 8.791 1.00 0.00 H new ATOM 0 HA LYS A 43 37.644 -6.490 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.197 -4.642 10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.737 -5.391 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.637 -3.960 8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.440 -2.943 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.572 -4.816 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.854 -4.084 8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.028 -2.261 11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.644 -2.935 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.627 -0.825 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.079 -2.068 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.513 -1.415 8.873 1.00 0.00 H new ATOM 629 N ASP A 44 35.225 -8.036 9.792 1.00 0.00 N ATOM 630 CA ASP A 44 34.699 -9.195 10.504 1.00 0.00 C ATOM 631 C ASP A 44 34.634 -10.414 9.589 1.00 0.00 C ATOM 632 O ASP A 44 34.418 -10.286 8.383 1.00 0.00 O ATOM 633 CB ASP A 44 33.309 -8.888 11.063 1.00 0.00 C ATOM 634 CG ASP A 44 32.984 -9.713 12.292 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.683 -9.557 13.314 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.029 -10.516 12.231 1.00 0.00 O ATOM 0 H ASP A 44 34.685 -7.765 8.970 1.00 0.00 H new ATOM 0 HA ASP A 44 35.374 -9.419 11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.247 -7.829 11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.561 -9.078 10.293 1.00 0.00 H new ATOM 641 N ALA A 45 34.820 -11.594 10.170 1.00 0.00 N ATOM 642 CA ALA A 45 34.782 -12.837 9.408 1.00 0.00 C ATOM 643 C ALA A 45 33.486 -13.599 9.668 1.00 0.00 C ATOM 644 O ALA A 45 33.369 -14.778 9.332 1.00 0.00 O ATOM 645 CB ALA A 45 35.984 -13.703 9.753 1.00 0.00 C ATOM 0 H ALA A 45 34.999 -11.716 11.167 1.00 0.00 H new ATOM 0 HA ALA A 45 34.820 -12.587 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.943 -14.628 9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.901 -13.165 9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.970 -13.937 10.817 1.00 0.00 H new ATOM 651 N LYS A 46 32.517 -12.917 10.269 1.00 0.00 N ATOM 652 CA LYS A 46 31.227 -13.526 10.575 1.00 0.00 C ATOM 653 C LYS A 46 30.089 -12.742 9.933 1.00 0.00 C ATOM 654 O LYS A 46 28.916 -12.999 10.200 1.00 0.00 O ATOM 655 CB LYS A 46 31.022 -13.597 12.089 1.00 0.00 C ATOM 656 CG LYS A 46 31.906 -14.626 12.774 1.00 0.00 C ATOM 657 CD LYS A 46 31.979 -14.388 14.274 1.00 0.00 C ATOM 658 CE LYS A 46 31.169 -15.420 15.043 1.00 0.00 C ATOM 659 NZ LYS A 46 30.350 -14.795 16.117 1.00 0.00 N ATOM 0 H LYS A 46 32.600 -11.941 10.554 1.00 0.00 H new ATOM 0 HA LYS A 46 31.223 -14.536 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.219 -12.616 12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.978 -13.832 12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.518 -15.626 12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.909 -14.586 12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 46 33.019 -14.425 14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.608 -13.389 14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.516 -15.956 14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.842 -16.156 15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 29.813 -15.532 16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.974 -14.305 16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 29.689 -14.111 15.696 1.00 0.00 H new ATOM 673 N CYS A 47 30.445 -11.783 9.085 1.00 0.00 N ATOM 674 CA CYS A 47 29.455 -10.959 8.401 1.00 0.00 C ATOM 675 C CYS A 47 29.175 -11.493 7.000 1.00 0.00 C ATOM 676 O CYS A 47 30.061 -12.045 6.347 1.00 0.00 O ATOM 677 CB CYS A 47 29.935 -9.509 8.320 1.00 0.00 C ATOM 678 SG CYS A 47 28.920 -8.449 7.242 1.00 0.00 S ATOM 0 H CYS A 47 31.413 -11.557 8.855 1.00 0.00 H new ATOM 0 HA CYS A 47 28.530 -10.997 8.976 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.945 -9.084 9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.963 -9.498 7.959 1.00 0.00 H new ATOM 683 N ARG A 48 27.938 -11.323 6.544 1.00 0.00 N ATOM 684 CA ARG A 48 27.539 -11.785 5.219 1.00 0.00 C ATOM 685 C ARG A 48 26.416 -10.919 4.657 1.00 0.00 C ATOM 686 O ARG A 48 26.473 -10.477 3.510 1.00 0.00 O ATOM 687 CB ARG A 48 27.091 -13.247 5.280 1.00 0.00 C ATOM 688 CG ARG A 48 28.162 -14.230 4.840 1.00 0.00 C ATOM 689 CD ARG A 48 27.656 -15.662 4.882 1.00 0.00 C ATOM 690 NE ARG A 48 27.362 -16.179 3.548 1.00 0.00 N ATOM 691 CZ ARG A 48 28.153 -17.026 2.895 1.00 0.00 C ATOM 692 NH1 ARG A 48 29.280 -17.449 3.449 1.00 0.00 N ATOM 693 NH2 ARG A 48 27.814 -17.450 1.685 1.00 0.00 N ATOM 0 H ARG A 48 27.194 -10.868 7.073 1.00 0.00 H new ATOM 0 HA ARG A 48 28.401 -11.704 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.790 -13.484 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.211 -13.375 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.486 -13.987 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.034 -14.132 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.403 -16.296 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.757 -15.711 5.496 1.00 0.00 H new ATOM 0 HE ARG A 48 26.502 -15.874 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.544 -17.125 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.884 -18.098 2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 48 26.947 -17.127 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 48 28.420 -18.099 1.184 1.00 0.00 H new ATOM 707 N PHE A 49 25.396 -10.682 5.476 1.00 0.00 N ATOM 708 CA PHE A 49 24.258 -9.868 5.067 1.00 0.00 C ATOM 709 C PHE A 49 23.997 -8.756 6.077 1.00 0.00 C ATOM 710 O PHE A 49 23.209 -8.923 7.008 1.00 0.00 O ATOM 711 CB PHE A 49 23.008 -10.740 4.917 1.00 0.00 C ATOM 712 CG PHE A 49 23.259 -12.038 4.201 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.658 -12.048 2.874 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.097 -13.248 4.858 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.888 -13.239 2.215 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.326 -14.443 4.203 1.00 0.00 C ATOM 717 CZ PHE A 49 23.723 -14.439 2.880 1.00 0.00 C ATOM 0 H PHE A 49 25.335 -11.043 6.428 1.00 0.00 H new ATOM 0 HA PHE A 49 24.493 -9.414 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.604 -10.953 5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.247 -10.178 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.791 -11.113 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.788 -13.257 5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.197 -13.233 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.195 -15.379 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.904 -15.372 2.366 1.00 0.00 H new ATOM 727 N PHE A 50 24.665 -7.622 5.890 1.00 0.00 N ATOM 728 CA PHE A 50 24.506 -6.486 6.789 1.00 0.00 C ATOM 729 C PHE A 50 23.127 -5.852 6.629 1.00 0.00 C ATOM 730 O PHE A 50 22.420 -6.114 5.655 1.00 0.00 O ATOM 731 CB PHE A 50 25.599 -5.444 6.529 1.00 0.00 C ATOM 732 CG PHE A 50 25.346 -4.585 5.324 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.627 -5.054 4.050 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.827 -3.309 5.465 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.395 -4.265 2.940 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.592 -2.516 4.359 1.00 0.00 C ATOM 737 CZ PHE A 50 24.876 -2.994 3.094 1.00 0.00 C ATOM 0 H PHE A 50 25.321 -7.466 5.125 1.00 0.00 H new ATOM 0 HA PHE A 50 24.599 -6.849 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.693 -4.804 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.553 -5.956 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 50 26.032 -6.047 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.603 -2.930 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.619 -4.641 1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.186 -1.523 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.693 -2.376 2.228 1.00 0.00 H new ATOM 747 N THR A 51 22.751 -5.020 7.596 1.00 0.00 N ATOM 748 CA THR A 51 21.458 -4.347 7.574 1.00 0.00 C ATOM 749 C THR A 51 21.455 -3.136 8.503 1.00 0.00 C ATOM 750 O THR A 51 21.283 -3.272 9.714 1.00 0.00 O ATOM 751 CB THR A 51 20.320 -5.305 7.985 1.00 0.00 C ATOM 752 OG1 THR A 51 20.190 -6.355 7.019 1.00 0.00 O ATOM 753 CG2 THR A 51 18.997 -4.563 8.110 1.00 0.00 C ATOM 0 H THR A 51 23.327 -4.796 8.407 1.00 0.00 H new ATOM 0 HA THR A 51 21.288 -4.015 6.550 1.00 0.00 H new ATOM 0 HB THR A 51 20.572 -5.730 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.864 -6.239 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.213 -5.263 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.087 -3.784 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.742 -4.110 7.152 1.00 0.00 H new ATOM 761 N LEU A 52 21.650 -1.954 7.927 1.00 0.00 N ATOM 762 CA LEU A 52 21.670 -0.719 8.702 1.00 0.00 C ATOM 763 C LEU A 52 20.348 0.030 8.563 1.00 0.00 C ATOM 764 O LEU A 52 19.755 0.066 7.485 1.00 0.00 O ATOM 765 CB LEU A 52 22.828 0.174 8.245 1.00 0.00 C ATOM 766 CG LEU A 52 22.802 1.604 8.791 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.994 1.850 9.702 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.783 2.608 7.648 1.00 0.00 C ATOM 0 H LEU A 52 21.796 -1.826 6.926 1.00 0.00 H new ATOM 0 HA LEU A 52 21.812 -0.977 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.766 -0.294 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.824 0.218 7.156 1.00 0.00 H new ATOM 0 HG LEU A 52 21.893 1.734 9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 52 23.958 2.872 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.963 1.152 10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.917 1.703 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.765 3.620 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.675 2.479 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.896 2.446 7.036 1.00 0.00 H new ATOM 780 N ALA A 53 19.890 0.626 9.660 1.00 0.00 N ATOM 781 CA ALA A 53 18.637 1.372 9.656 1.00 0.00 C ATOM 782 C ALA A 53 18.887 2.868 9.798 1.00 0.00 C ATOM 783 O ALA A 53 18.126 3.575 10.459 1.00 0.00 O ATOM 784 CB ALA A 53 17.727 0.881 10.769 1.00 0.00 C ATOM 0 H ALA A 53 20.367 0.607 10.561 1.00 0.00 H new ATOM 0 HA ALA A 53 18.146 1.202 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.796 1.447 10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.511 -0.177 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.221 1.021 11.731 1.00 0.00 H new ATOM 790 N SER A 54 19.958 3.341 9.168 1.00 0.00 N ATOM 791 CA SER A 54 20.323 4.755 9.209 1.00 0.00 C ATOM 792 C SER A 54 20.687 5.200 10.625 1.00 0.00 C ATOM 793 O SER A 54 21.064 6.351 10.844 1.00 0.00 O ATOM 794 CB SER A 54 19.175 5.611 8.674 1.00 0.00 C ATOM 795 OG SER A 54 19.450 6.992 8.829 1.00 0.00 O ATOM 0 H SER A 54 20.593 2.762 8.619 1.00 0.00 H new ATOM 0 HA SER A 54 21.201 4.889 8.577 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.011 5.386 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.254 5.360 9.201 1.00 0.00 H new ATOM 0 HG SER A 54 20.194 7.109 9.456 1.00 0.00 H new ATOM 801 N GLY A 55 20.572 4.286 11.582 1.00 0.00 N ATOM 802 CA GLY A 55 20.893 4.611 12.960 1.00 0.00 C ATOM 803 C GLY A 55 21.596 3.478 13.680 1.00 0.00 C ATOM 804 O GLY A 55 22.210 3.687 14.726 1.00 0.00 O ATOM 0 H GLY A 55 20.262 3.326 11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.526 5.498 12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.976 4.861 13.493 1.00 0.00 H new ATOM 808 N LYS A 56 21.506 2.274 13.122 1.00 0.00 N ATOM 809 CA LYS A 56 22.140 1.105 13.721 1.00 0.00 C ATOM 810 C LYS A 56 22.328 -0.003 12.692 1.00 0.00 C ATOM 811 O LYS A 56 21.360 -0.514 12.128 1.00 0.00 O ATOM 812 CB LYS A 56 21.302 0.590 14.893 1.00 0.00 C ATOM 813 CG LYS A 56 22.108 -0.184 15.923 1.00 0.00 C ATOM 814 CD LYS A 56 21.312 -0.411 17.198 1.00 0.00 C ATOM 815 CE LYS A 56 21.627 -1.762 17.819 1.00 0.00 C ATOM 816 NZ LYS A 56 22.711 -1.667 18.835 1.00 0.00 N ATOM 0 H LYS A 56 21.001 2.083 12.257 1.00 0.00 H new ATOM 0 HA LYS A 56 23.122 1.405 14.087 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.819 1.436 15.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.509 -0.051 14.508 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.408 -1.145 15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.022 0.362 16.156 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.536 0.380 17.913 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.246 -0.350 16.978 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.728 -2.166 18.284 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.923 -2.461 17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.129 -2.607 18.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.446 -1.012 18.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.317 -1.315 19.731 1.00 0.00 H new ATOM 830 N CYS A 57 23.583 -0.373 12.455 1.00 0.00 N ATOM 831 CA CYS A 57 23.904 -1.425 11.498 1.00 0.00 C ATOM 832 C CYS A 57 23.846 -2.795 12.166 1.00 0.00 C ATOM 833 O CYS A 57 24.048 -2.913 13.374 1.00 0.00 O ATOM 834 CB CYS A 57 25.293 -1.187 10.899 1.00 0.00 C ATOM 835 SG CYS A 57 26.189 -2.710 10.454 1.00 0.00 S ATOM 0 H CYS A 57 24.395 0.041 12.913 1.00 0.00 H new ATOM 0 HA CYS A 57 23.165 -1.401 10.697 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.190 -0.567 10.009 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.892 -0.623 11.614 1.00 0.00 H new ATOM 840 N SER A 58 23.565 -3.827 11.377 1.00 0.00 N ATOM 841 CA SER A 58 23.480 -5.187 11.899 1.00 0.00 C ATOM 842 C SER A 58 23.850 -6.208 10.828 1.00 0.00 C ATOM 843 O SER A 58 23.151 -6.351 9.826 1.00 0.00 O ATOM 844 CB SER A 58 22.070 -5.467 12.420 1.00 0.00 C ATOM 845 OG SER A 58 21.704 -4.538 13.427 1.00 0.00 O ATOM 0 H SER A 58 23.392 -3.748 10.375 1.00 0.00 H new ATOM 0 HA SER A 58 24.190 -5.278 12.721 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.358 -5.415 11.597 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.021 -6.480 12.820 1.00 0.00 H new ATOM 0 HG SER A 58 20.798 -4.738 13.742 1.00 0.00 H new ATOM 851 N LEU A 59 24.952 -6.919 11.048 1.00 0.00 N ATOM 852 CA LEU A 59 25.410 -7.928 10.101 1.00 0.00 C ATOM 853 C LEU A 59 24.925 -9.315 10.511 1.00 0.00 C ATOM 854 O LEU A 59 25.040 -9.706 11.673 1.00 0.00 O ATOM 855 CB LEU A 59 26.940 -7.918 9.990 1.00 0.00 C ATOM 856 CG LEU A 59 27.679 -7.135 11.082 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.092 -7.670 11.251 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.707 -5.653 10.754 1.00 0.00 C ATOM 0 H LEU A 59 25.543 -6.815 11.873 1.00 0.00 H new ATOM 0 HA LEU A 59 24.989 -7.685 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.294 -8.949 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.213 -7.501 9.021 1.00 0.00 H new ATOM 0 HG LEU A 59 27.143 -7.266 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.604 -7.105 12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.051 -8.722 11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.635 -7.568 10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.236 -5.116 11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.219 -5.500 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.686 -5.277 10.681 1.00 0.00 H new ATOM 870 N PHE A 60 24.377 -10.053 9.550 1.00 0.00 N ATOM 871 CA PHE A 60 23.866 -11.395 9.809 1.00 0.00 C ATOM 872 C PHE A 60 24.573 -12.427 8.937 1.00 0.00 C ATOM 873 O PHE A 60 24.533 -12.348 7.708 1.00 0.00 O ATOM 874 CB PHE A 60 22.357 -11.443 9.560 1.00 0.00 C ATOM 875 CG PHE A 60 21.607 -10.318 10.212 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.122 -10.445 11.504 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.391 -9.128 9.534 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.438 -9.408 12.107 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.706 -8.088 10.133 1.00 0.00 C ATOM 880 CZ PHE A 60 20.230 -8.228 11.421 1.00 0.00 C ATOM 0 H PHE A 60 24.275 -9.744 8.583 1.00 0.00 H new ATOM 0 HA PHE A 60 24.063 -11.637 10.853 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.173 -11.418 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.966 -12.391 9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.281 -11.366 12.046 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.762 -9.013 8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.066 -9.520 13.115 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.543 -7.166 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.696 -7.416 11.891 1.00 0.00 H new ATOM 890 N ALA A 61 25.221 -13.394 9.580 1.00 0.00 N ATOM 891 CA ALA A 61 25.938 -14.442 8.864 1.00 0.00 C ATOM 892 C ALA A 61 24.972 -15.392 8.164 1.00 0.00 C ATOM 893 O ALA A 61 24.681 -15.234 6.979 1.00 0.00 O ATOM 894 CB ALA A 61 26.839 -15.211 9.820 1.00 0.00 C ATOM 0 H ALA A 61 25.264 -13.473 10.596 1.00 0.00 H new ATOM 0 HA ALA A 61 26.555 -13.969 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.369 -15.991 9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.561 -14.528 10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.234 -15.666 10.604 1.00 0.00 H new ATOM 900 N ASP A 62 24.478 -16.377 8.906 1.00 0.00 N ATOM 901 CA ASP A 62 23.544 -17.355 8.358 1.00 0.00 C ATOM 902 C ASP A 62 22.101 -16.929 8.613 1.00 0.00 C ATOM 903 O ASP A 62 21.844 -15.819 9.077 1.00 0.00 O ATOM 904 CB ASP A 62 23.798 -18.732 8.973 1.00 0.00 C ATOM 905 CG ASP A 62 24.315 -18.647 10.396 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.680 -17.953 11.218 1.00 0.00 O ATOM 907 OD2 ASP A 62 25.353 -19.276 10.689 1.00 0.00 O ATOM 0 H ASP A 62 24.709 -16.520 9.889 1.00 0.00 H new ATOM 0 HA ASP A 62 23.703 -17.411 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.873 -19.308 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 62 24.519 -19.273 8.360 1.00 0.00 H new ATOM 912 N ASP A 63 21.164 -17.821 8.305 1.00 0.00 N ATOM 913 CA ASP A 63 19.746 -17.539 8.499 1.00 0.00 C ATOM 914 C ASP A 63 19.433 -17.323 9.976 1.00 0.00 C ATOM 915 O ASP A 63 20.073 -17.910 10.849 1.00 0.00 O ATOM 916 CB ASP A 63 18.896 -18.684 7.947 1.00 0.00 C ATOM 917 CG ASP A 63 18.961 -18.777 6.435 1.00 0.00 C ATOM 918 OD1 ASP A 63 18.477 -17.842 5.762 1.00 0.00 O ATOM 919 OD2 ASP A 63 19.496 -19.783 5.924 1.00 0.00 O ATOM 0 H ASP A 63 21.361 -18.745 7.920 1.00 0.00 H new ATOM 0 HA ASP A 63 19.505 -16.625 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.234 -19.625 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.860 -18.545 8.255 1.00 0.00 H new ATOM 924 N ALA A 64 18.445 -16.476 10.248 1.00 0.00 N ATOM 925 CA ALA A 64 18.046 -16.180 11.618 1.00 0.00 C ATOM 926 C ALA A 64 16.570 -15.805 11.692 1.00 0.00 C ATOM 927 O ALA A 64 16.117 -15.218 12.675 1.00 0.00 O ATOM 928 CB ALA A 64 18.905 -15.062 12.187 1.00 0.00 C ATOM 0 H ALA A 64 17.906 -15.983 9.536 1.00 0.00 H new ATOM 0 HA ALA A 64 18.195 -17.079 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.596 -14.851 13.211 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.951 -15.367 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.784 -14.165 11.579 1.00 0.00 H new ATOM 934 N ALA A 65 15.826 -16.149 10.644 1.00 0.00 N ATOM 935 CA ALA A 65 14.400 -15.853 10.581 1.00 0.00 C ATOM 936 C ALA A 65 14.137 -14.362 10.767 1.00 0.00 C ATOM 937 O ALA A 65 13.106 -13.965 11.309 1.00 0.00 O ATOM 938 CB ALA A 65 13.649 -16.661 11.630 1.00 0.00 C ATOM 0 H ALA A 65 16.190 -16.635 9.824 1.00 0.00 H new ATOM 0 HA ALA A 65 14.038 -16.135 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.585 -16.431 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.801 -17.725 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.023 -16.406 12.622 1.00 0.00 H new ATOM 944 N LEU A 66 15.078 -13.541 10.310 1.00 0.00 N ATOM 945 CA LEU A 66 14.951 -12.091 10.421 1.00 0.00 C ATOM 946 C LEU A 66 13.721 -11.595 9.667 1.00 0.00 C ATOM 947 O LEU A 66 13.166 -12.306 8.829 1.00 0.00 O ATOM 948 CB LEU A 66 16.206 -11.400 9.883 1.00 0.00 C ATOM 949 CG LEU A 66 16.953 -12.165 8.788 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.413 -11.214 7.694 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.137 -12.917 9.375 1.00 0.00 C ATOM 0 H LEU A 66 15.937 -13.855 9.859 1.00 0.00 H new ATOM 0 HA LEU A 66 14.836 -11.843 11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.924 -10.422 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.890 -11.226 10.714 1.00 0.00 H new ATOM 0 HG LEU A 66 16.270 -12.891 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.942 -11.775 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.547 -10.720 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.080 -10.465 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.656 -13.455 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.822 -12.209 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.783 -13.626 10.123 1.00 0.00 H new ATOM 963 N ARG A 67 13.297 -10.371 9.973 1.00 0.00 N ATOM 964 CA ARG A 67 12.131 -9.783 9.325 1.00 0.00 C ATOM 965 C ARG A 67 12.146 -8.261 9.440 1.00 0.00 C ATOM 966 O ARG A 67 12.664 -7.710 10.410 1.00 0.00 O ATOM 967 CB ARG A 67 10.847 -10.336 9.943 1.00 0.00 C ATOM 968 CG ARG A 67 10.700 -10.023 11.423 1.00 0.00 C ATOM 969 CD ARG A 67 9.792 -11.025 12.117 1.00 0.00 C ATOM 970 NE ARG A 67 9.160 -10.459 13.306 1.00 0.00 N ATOM 971 CZ ARG A 67 8.504 -11.183 14.209 1.00 0.00 C ATOM 972 NH1 ARG A 67 8.395 -12.497 14.058 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.957 -10.594 15.263 1.00 0.00 N ATOM 0 H ARG A 67 13.744 -9.769 10.665 1.00 0.00 H new ATOM 0 HA ARG A 67 12.166 -10.048 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.990 -9.927 9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.823 -11.417 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.682 -10.031 11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.295 -9.018 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.022 -11.359 11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.371 -11.905 12.398 1.00 0.00 H new ATOM 0 HE ARG A 67 9.225 -9.452 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.815 -12.954 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.892 -13.050 14.752 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.039 -9.584 15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.454 -11.150 15.954 1.00 0.00 H new ATOM 987 N PRO A 68 11.572 -7.557 8.450 1.00 0.00 N ATOM 988 CA PRO A 68 11.524 -6.094 8.453 1.00 0.00 C ATOM 989 C PRO A 68 10.518 -5.551 9.460 1.00 0.00 C ATOM 990 O PRO A 68 9.676 -6.291 9.971 1.00 0.00 O ATOM 991 CB PRO A 68 11.094 -5.754 7.028 1.00 0.00 C ATOM 992 CG PRO A 68 10.309 -6.937 6.575 1.00 0.00 C ATOM 993 CD PRO A 68 10.924 -8.133 7.255 1.00 0.00 C ATOM 0 HA PRO A 68 12.478 -5.653 8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.491 -4.846 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.957 -5.582 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.258 -6.833 6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.351 -7.041 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.170 -8.873 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.646 -8.634 6.610 1.00 0.00 H new ATOM 1001 N THR A 69 10.610 -4.256 9.743 1.00 0.00 N ATOM 1002 CA THR A 69 9.708 -3.615 10.693 1.00 0.00 C ATOM 1003 C THR A 69 9.459 -2.158 10.321 1.00 0.00 C ATOM 1004 O THR A 69 8.379 -1.803 9.850 1.00 0.00 O ATOM 1005 CB THR A 69 10.259 -3.683 12.131 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.774 -2.574 12.897 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.781 -3.678 12.132 1.00 0.00 C ATOM 0 H THR A 69 11.300 -3.630 9.328 1.00 0.00 H new ATOM 0 HA THR A 69 8.766 -4.162 10.650 1.00 0.00 H new ATOM 0 HB THR A 69 9.915 -4.614 12.581 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.128 -2.627 13.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.144 -3.727 13.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.148 -4.541 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.142 -2.763 11.662 1.00 0.00 H new ATOM 1015 N LYS A 70 10.465 -1.320 10.539 1.00 0.00 N ATOM 1016 CA LYS A 70 10.359 0.102 10.230 1.00 0.00 C ATOM 1017 C LYS A 70 11.437 0.525 9.238 1.00 0.00 C ATOM 1018 O LYS A 70 12.604 0.158 9.380 1.00 0.00 O ATOM 1019 CB LYS A 70 10.472 0.933 11.509 1.00 0.00 C ATOM 1020 CG LYS A 70 9.304 1.882 11.724 1.00 0.00 C ATOM 1021 CD LYS A 70 9.625 2.930 12.777 1.00 0.00 C ATOM 1022 CE LYS A 70 8.711 4.138 12.657 1.00 0.00 C ATOM 1023 NZ LYS A 70 8.046 4.462 13.951 1.00 0.00 N ATOM 0 H LYS A 70 11.365 -1.600 10.929 1.00 0.00 H new ATOM 0 HA LYS A 70 9.384 0.278 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.545 0.261 12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.397 1.510 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.055 2.374 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.425 1.315 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.523 2.493 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.663 3.246 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.289 4.999 12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.953 3.946 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.431 5.292 13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.474 3.650 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.768 4.670 14.670 1.00 0.00 H new ATOM 1037 N SER A 71 11.038 1.300 8.234 1.00 0.00 N ATOM 1038 CA SER A 71 11.970 1.774 7.218 1.00 0.00 C ATOM 1039 C SER A 71 12.823 2.919 7.754 1.00 0.00 C ATOM 1040 O SER A 71 13.974 2.720 8.143 1.00 0.00 O ATOM 1041 CB SER A 71 11.208 2.229 5.971 1.00 0.00 C ATOM 1042 OG SER A 71 10.307 1.229 5.530 1.00 0.00 O ATOM 0 H SER A 71 10.076 1.613 8.103 1.00 0.00 H new ATOM 0 HA SER A 71 12.630 0.948 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.660 3.145 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.915 2.463 5.175 1.00 0.00 H new ATOM 0 HG SER A 71 9.832 1.545 4.733 1.00 0.00 H new ATOM 1048 N ASP A 72 12.246 4.117 7.775 1.00 0.00 N ATOM 1049 CA ASP A 72 12.943 5.299 8.266 1.00 0.00 C ATOM 1050 C ASP A 72 14.296 5.462 7.576 1.00 0.00 C ATOM 1051 O ASP A 72 15.285 5.842 8.203 1.00 0.00 O ATOM 1052 CB ASP A 72 13.125 5.208 9.781 1.00 0.00 C ATOM 1053 CG ASP A 72 13.679 6.485 10.382 1.00 0.00 C ATOM 1054 OD1 ASP A 72 13.162 7.572 10.048 1.00 0.00 O ATOM 1055 OD2 ASP A 72 14.631 6.399 11.186 1.00 0.00 O ATOM 0 H ASP A 72 11.293 4.294 7.456 1.00 0.00 H new ATOM 0 HA ASP A 72 12.339 6.176 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.165 4.980 10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.796 4.381 10.013 1.00 0.00 H new ATOM 1060 N GLY A 73 14.329 5.171 6.279 1.00 0.00 N ATOM 1061 CA GLY A 73 15.562 5.292 5.522 1.00 0.00 C ATOM 1062 C GLY A 73 16.508 4.130 5.757 1.00 0.00 C ATOM 1063 O GLY A 73 17.727 4.295 5.709 1.00 0.00 O ATOM 0 H GLY A 73 13.524 4.854 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.327 5.355 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.061 6.222 5.794 1.00 0.00 H new ATOM 1067 N ALA A 74 15.947 2.953 6.011 1.00 0.00 N ATOM 1068 CA ALA A 74 16.750 1.760 6.253 1.00 0.00 C ATOM 1069 C ALA A 74 17.366 1.243 4.957 1.00 0.00 C ATOM 1070 O ALA A 74 17.039 1.719 3.870 1.00 0.00 O ATOM 1071 CB ALA A 74 15.905 0.677 6.907 1.00 0.00 C ATOM 0 H ALA A 74 14.940 2.799 6.055 1.00 0.00 H new ATOM 0 HA ALA A 74 17.561 2.029 6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.518 -0.207 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.517 1.043 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.074 0.418 6.251 1.00 0.00 H new ATOM 1077 N VAL A 75 18.258 0.265 5.082 1.00 0.00 N ATOM 1078 CA VAL A 75 18.922 -0.321 3.924 1.00 0.00 C ATOM 1079 C VAL A 75 19.702 -1.574 4.317 1.00 0.00 C ATOM 1080 O VAL A 75 20.266 -1.647 5.409 1.00 0.00 O ATOM 1081 CB VAL A 75 19.880 0.685 3.255 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.986 1.096 4.216 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.462 0.104 1.975 1.00 0.00 C ATOM 0 H VAL A 75 18.538 -0.139 5.976 1.00 0.00 H new ATOM 0 HA VAL A 75 18.142 -0.591 3.212 1.00 0.00 H new ATOM 0 HB VAL A 75 19.311 1.577 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.651 1.806 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.547 1.562 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.554 0.215 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.135 0.830 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 75 21.014 -0.807 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.654 -0.128 1.281 1.00 0.00 H new ATOM 1093 N SER A 76 19.727 -2.556 3.423 1.00 0.00 N ATOM 1094 CA SER A 76 20.438 -3.804 3.680 1.00 0.00 C ATOM 1095 C SER A 76 21.220 -4.251 2.451 1.00 0.00 C ATOM 1096 O SER A 76 21.203 -3.585 1.416 1.00 0.00 O ATOM 1097 CB SER A 76 19.453 -4.898 4.098 1.00 0.00 C ATOM 1098 OG SER A 76 18.175 -4.355 4.381 1.00 0.00 O ATOM 0 H SER A 76 19.264 -2.513 2.515 1.00 0.00 H new ATOM 0 HA SER A 76 21.144 -3.629 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.369 -5.638 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.834 -5.417 4.978 1.00 0.00 H new ATOM 0 HG SER A 76 17.564 -5.075 4.644 1.00 0.00 H new ATOM 1104 N GLY A 77 21.905 -5.384 2.573 1.00 0.00 N ATOM 1105 CA GLY A 77 22.685 -5.904 1.465 1.00 0.00 C ATOM 1106 C GLY A 77 22.944 -7.393 1.587 1.00 0.00 C ATOM 1107 O GLY A 77 23.521 -7.852 2.572 1.00 0.00 O ATOM 0 H GLY A 77 21.934 -5.951 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.161 -5.705 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.637 -5.376 1.415 1.00 0.00 H new ATOM 1111 N ASN A 78 22.514 -8.150 0.581 1.00 0.00 N ATOM 1112 CA ASN A 78 22.702 -9.595 0.578 1.00 0.00 C ATOM 1113 C ASN A 78 23.555 -10.031 -0.609 1.00 0.00 C ATOM 1114 O ASN A 78 24.114 -11.128 -0.613 1.00 0.00 O ATOM 1115 CB ASN A 78 21.347 -10.305 0.536 1.00 0.00 C ATOM 1116 CG ASN A 78 20.370 -9.748 1.552 1.00 0.00 C ATOM 1117 OD1 ASN A 78 19.461 -8.993 1.206 1.00 0.00 O ATOM 1118 ND2 ASN A 78 20.553 -10.118 2.814 1.00 0.00 N ATOM 0 H ASN A 78 22.033 -7.785 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 78 23.222 -9.871 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.921 -10.210 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.492 -11.369 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.927 -9.775 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.320 -10.746 3.055 1.00 0.00 H new ATOM 1125 N LYS A 79 23.647 -9.165 -1.615 1.00 0.00 N ATOM 1126 CA LYS A 79 24.430 -9.456 -2.812 1.00 0.00 C ATOM 1127 C LYS A 79 23.965 -10.755 -3.463 1.00 0.00 C ATOM 1128 O LYS A 79 24.737 -11.429 -4.147 1.00 0.00 O ATOM 1129 CB LYS A 79 25.918 -9.545 -2.466 1.00 0.00 C ATOM 1130 CG LYS A 79 26.623 -8.199 -2.459 1.00 0.00 C ATOM 1131 CD LYS A 79 28.113 -8.350 -2.198 1.00 0.00 C ATOM 1132 CE LYS A 79 28.892 -7.146 -2.701 1.00 0.00 C ATOM 1133 NZ LYS A 79 29.131 -7.212 -4.168 1.00 0.00 N ATOM 0 H LYS A 79 23.188 -8.254 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 79 24.280 -8.642 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 79 26.027 -10.008 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 79 26.411 -10.200 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 79 26.469 -7.702 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.182 -7.560 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.285 -8.475 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.480 -9.252 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.344 -6.234 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.848 -7.089 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.665 -6.373 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.676 -8.069 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.219 -7.241 -4.667 1.00 0.00 H new ATOM 1147 N ARG A 80 22.700 -11.101 -3.246 1.00 0.00 N ATOM 1148 CA ARG A 80 22.131 -12.318 -3.811 1.00 0.00 C ATOM 1149 C ARG A 80 20.880 -12.005 -4.627 1.00 0.00 C ATOM 1150 O ARG A 80 20.704 -10.883 -5.103 1.00 0.00 O ATOM 1151 CB ARG A 80 21.797 -13.312 -2.696 1.00 0.00 C ATOM 1152 CG ARG A 80 22.325 -14.714 -2.952 1.00 0.00 C ATOM 1153 CD ARG A 80 23.693 -14.919 -2.322 1.00 0.00 C ATOM 1154 NE ARG A 80 24.376 -16.089 -2.865 1.00 0.00 N ATOM 1155 CZ ARG A 80 25.680 -16.309 -2.734 1.00 0.00 C ATOM 1156 NH1 ARG A 80 26.440 -15.441 -2.079 1.00 0.00 N ATOM 1157 NH2 ARG A 80 26.227 -17.398 -3.257 1.00 0.00 N ATOM 0 H ARG A 80 22.049 -10.554 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 80 22.871 -12.764 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.209 -12.943 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 80 20.715 -13.357 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 80 21.625 -15.446 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 80 22.388 -14.889 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.305 -14.033 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.582 -15.032 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 80 23.821 -16.777 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 80 26.024 -14.602 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 80 27.441 -15.612 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.647 -18.069 -3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 80 27.228 -17.565 -3.155 1.00 0.00 H new ATOM 1171 N CYS A 81 20.015 -13.005 -4.786 1.00 0.00 N ATOM 1172 CA CYS A 81 18.780 -12.839 -5.545 1.00 0.00 C ATOM 1173 C CYS A 81 19.073 -12.376 -6.969 1.00 0.00 C ATOM 1174 O CYS A 81 18.828 -11.221 -7.320 1.00 0.00 O ATOM 1175 CB CYS A 81 17.853 -11.839 -4.847 1.00 0.00 C ATOM 1176 SG CYS A 81 17.987 -11.841 -3.030 1.00 0.00 S ATOM 0 H CYS A 81 20.148 -13.939 -4.398 1.00 0.00 H new ATOM 0 HA CYS A 81 18.282 -13.807 -5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 81 18.074 -10.837 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.823 -12.061 -5.125 1.00 0.00 H new ATOM 1181 N ILE A 82 19.598 -13.285 -7.784 1.00 0.00 N ATOM 1182 CA ILE A 82 19.925 -12.971 -9.169 1.00 0.00 C ATOM 1183 C ILE A 82 18.865 -13.521 -10.121 1.00 0.00 C ATOM 1184 O ILE A 82 18.287 -14.579 -9.877 1.00 0.00 O ATOM 1185 CB ILE A 82 21.305 -13.537 -9.563 1.00 0.00 C ATOM 1186 CG1 ILE A 82 21.714 -13.034 -10.949 1.00 0.00 C ATOM 1187 CG2 ILE A 82 21.289 -15.059 -9.529 1.00 0.00 C ATOM 1188 CD1 ILE A 82 22.554 -11.777 -10.912 1.00 0.00 C ATOM 0 H ILE A 82 19.806 -14.245 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 82 19.953 -11.884 -9.252 1.00 0.00 H new ATOM 0 HB ILE A 82 22.040 -13.186 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 82 22.271 -13.818 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.816 -12.844 -11.537 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.271 -15.440 -9.810 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.043 -15.398 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.542 -15.431 -10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.807 -11.478 -11.929 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.992 -10.978 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.469 -11.967 -10.352 1.00 0.00 H new ATOM 1200 N LEU A 83 18.615 -12.792 -11.205 1.00 0.00 N ATOM 1201 CA LEU A 83 17.625 -13.205 -12.192 1.00 0.00 C ATOM 1202 C LEU A 83 18.237 -14.161 -13.211 1.00 0.00 C ATOM 1203 O LEU A 83 19.144 -13.792 -13.957 1.00 0.00 O ATOM 1204 CB LEU A 83 17.046 -11.982 -12.905 1.00 0.00 C ATOM 1205 CG LEU A 83 15.856 -11.326 -12.202 1.00 0.00 C ATOM 1206 CD1 LEU A 83 16.337 -10.300 -11.187 1.00 0.00 C ATOM 1207 CD2 LEU A 83 14.926 -10.681 -13.218 1.00 0.00 C ATOM 0 H LEU A 83 19.085 -11.913 -11.421 1.00 0.00 H new ATOM 0 HA LEU A 83 16.823 -13.726 -11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.836 -11.239 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.738 -12.277 -13.908 1.00 0.00 H new ATOM 0 HG LEU A 83 15.300 -12.098 -11.671 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.478 -9.843 -10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.962 -10.791 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.917 -9.529 -11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.085 -10.219 -12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.470 -9.920 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.555 -11.441 -13.906 1.00 0.00 H new ATOM 1219 N LEU A 84 17.733 -15.391 -13.236 1.00 0.00 N ATOM 1220 CA LEU A 84 18.229 -16.402 -14.164 1.00 0.00 C ATOM 1221 C LEU A 84 17.081 -17.240 -14.720 1.00 0.00 C ATOM 1222 O LEU A 84 17.070 -17.590 -15.900 1.00 0.00 O ATOM 1223 CB LEU A 84 19.247 -17.307 -13.469 1.00 0.00 C ATOM 1224 CG LEU A 84 20.570 -17.485 -14.215 1.00 0.00 C ATOM 1225 CD1 LEU A 84 21.700 -17.766 -13.235 1.00 0.00 C ATOM 1226 CD2 LEU A 84 20.459 -18.603 -15.240 1.00 0.00 C ATOM 0 H LEU A 84 16.982 -15.712 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 84 18.716 -15.890 -14.994 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.457 -16.900 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.796 -18.288 -13.320 1.00 0.00 H new ATOM 0 HG LEU A 84 20.796 -16.558 -14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.634 -17.890 -13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.795 -16.932 -12.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.481 -18.678 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.410 -18.715 -15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.210 -19.536 -14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.677 -18.360 -15.960 1.00 0.00 H new ATOM 1238 N GLU A 85 16.117 -17.555 -13.860 1.00 0.00 N ATOM 1239 CA GLU A 85 14.964 -18.352 -14.264 1.00 0.00 C ATOM 1240 C GLU A 85 13.736 -17.470 -14.460 1.00 0.00 C ATOM 1241 O GLU A 85 12.608 -17.962 -14.512 1.00 0.00 O ATOM 1242 CB GLU A 85 14.672 -19.430 -13.218 1.00 0.00 C ATOM 1243 CG GLU A 85 14.911 -20.845 -13.719 1.00 0.00 C ATOM 1244 CD GLU A 85 14.926 -21.865 -12.598 1.00 0.00 C ATOM 1245 OE1 GLU A 85 13.833 -22.264 -12.143 1.00 0.00 O ATOM 1246 OE2 GLU A 85 16.031 -22.267 -12.175 1.00 0.00 O ATOM 0 H GLU A 85 16.111 -17.271 -12.880 1.00 0.00 H new ATOM 0 HA GLU A 85 15.199 -18.832 -15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.297 -19.253 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.635 -19.339 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.133 -21.109 -14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.861 -20.882 -14.252 1.00 0.00 H new ATOM 1253 N ASP A 86 13.963 -16.164 -14.568 1.00 0.00 N ATOM 1254 CA ASP A 86 12.875 -15.212 -14.759 1.00 0.00 C ATOM 1255 C ASP A 86 13.000 -14.506 -16.105 1.00 0.00 C ATOM 1256 O ASP A 86 14.145 -14.297 -16.559 1.00 0.00 O ATOM 1257 CB ASP A 86 12.867 -14.182 -13.629 1.00 0.00 C ATOM 1258 CG ASP A 86 12.624 -14.814 -12.272 1.00 0.00 C ATOM 1259 OD1 ASP A 86 11.512 -15.337 -12.051 1.00 0.00 O ATOM 1260 OD2 ASP A 86 13.547 -14.787 -11.430 1.00 0.00 O ATOM 1261 OXT ASP A 86 11.952 -14.167 -16.694 1.00 0.00 O ATOM 0 H ASP A 86 14.890 -15.742 -14.526 1.00 0.00 H new ATOM 0 HA ASP A 86 11.935 -15.764 -14.745 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.821 -13.654 -13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.094 -13.439 -13.824 1.00 0.00 H new TER 1266 ASP A 86