USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 GLY N :NH3+ -147:sc= 0.0149 (180deg=0) USER MOD Single : A 2 SER OG : rot 4:sc= 0.267 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00574 USER MOD Single : A 5 SER OG : rot 180:sc= -0.141 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -89:sc= 0.406 USER MOD Single : A 27 THR OG1 : rot -87:sc= 0.341 USER MOD Single : A 32 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3.5!) USER MOD Single : A 44 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.539 F(o=-1.5,f=-0.54) USER MOD Single : A 59 GLN :FLIP amide:sc= -2.7 F(o=-3.5!,f=-2.7) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.43) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -120:sc=-0.00174 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.414 -75.496 -5.240 1.00 0.00 N ATOM 2 CA GLY A 1 -5.150 -74.421 -4.301 1.00 0.00 C ATOM 3 C GLY A 1 -6.282 -73.415 -4.237 1.00 0.00 C ATOM 4 O GLY A 1 -7.451 -73.778 -4.358 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.981 -76.375 -4.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.441 -75.630 -5.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.010 -75.254 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.986 -74.842 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.230 -73.911 -4.587 1.00 0.00 H new ATOM 8 N SER A 2 -5.934 -72.147 -4.046 1.00 0.00 N ATOM 9 CA SER A 2 -6.930 -71.085 -3.960 1.00 0.00 C ATOM 10 C SER A 2 -6.312 -69.731 -4.294 1.00 0.00 C ATOM 11 O SER A 2 -5.100 -69.619 -4.482 1.00 0.00 O ATOM 12 CB SER A 2 -7.546 -71.046 -2.560 1.00 0.00 C ATOM 13 OG SER A 2 -8.285 -72.226 -2.295 1.00 0.00 O ATOM 0 H SER A 2 -4.970 -71.830 -3.948 1.00 0.00 H new ATOM 0 HA SER A 2 -7.713 -71.296 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.758 -70.932 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.198 -70.177 -2.470 1.00 0.00 H new ATOM 0 HG SER A 2 -8.197 -72.844 -3.051 1.00 0.00 H new ATOM 19 N SER A 3 -7.153 -68.705 -4.366 1.00 0.00 N ATOM 20 CA SER A 3 -6.691 -67.358 -4.681 1.00 0.00 C ATOM 21 C SER A 3 -7.759 -66.324 -4.338 1.00 0.00 C ATOM 22 O SER A 3 -8.856 -66.668 -3.902 1.00 0.00 O ATOM 23 CB SER A 3 -6.322 -67.256 -6.162 1.00 0.00 C ATOM 24 OG SER A 3 -5.564 -66.086 -6.419 1.00 0.00 O ATOM 0 H SER A 3 -8.158 -68.780 -4.210 1.00 0.00 H new ATOM 0 HA SER A 3 -5.806 -67.154 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.751 -68.136 -6.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.229 -67.246 -6.766 1.00 0.00 H new ATOM 0 HG SER A 3 -5.339 -66.045 -7.372 1.00 0.00 H new ATOM 30 N GLY A 4 -7.427 -65.051 -4.539 1.00 0.00 N ATOM 31 CA GLY A 4 -8.367 -63.985 -4.246 1.00 0.00 C ATOM 32 C GLY A 4 -7.992 -62.681 -4.921 1.00 0.00 C ATOM 33 O GLY A 4 -7.149 -62.657 -5.818 1.00 0.00 O ATOM 0 H GLY A 4 -6.525 -64.740 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.364 -64.285 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.414 -63.832 -3.168 1.00 0.00 H new ATOM 37 N SER A 5 -8.621 -61.591 -4.491 1.00 0.00 N ATOM 38 CA SER A 5 -8.353 -60.277 -5.063 1.00 0.00 C ATOM 39 C SER A 5 -8.962 -59.175 -4.202 1.00 0.00 C ATOM 40 O SER A 5 -9.737 -59.445 -3.285 1.00 0.00 O ATOM 41 CB SER A 5 -8.909 -60.194 -6.486 1.00 0.00 C ATOM 42 OG SER A 5 -8.539 -58.976 -7.108 1.00 0.00 O ATOM 0 H SER A 5 -9.320 -61.593 -3.748 1.00 0.00 H new ATOM 0 HA SER A 5 -7.273 -60.135 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.538 -61.034 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.995 -60.278 -6.461 1.00 0.00 H new ATOM 0 HG SER A 5 -8.905 -58.948 -8.017 1.00 0.00 H new ATOM 48 N SER A 6 -8.605 -57.931 -4.505 1.00 0.00 N ATOM 49 CA SER A 6 -9.112 -56.787 -3.757 1.00 0.00 C ATOM 50 C SER A 6 -8.708 -55.477 -4.428 1.00 0.00 C ATOM 51 O SER A 6 -7.976 -55.473 -5.416 1.00 0.00 O ATOM 52 CB SER A 6 -8.590 -56.818 -2.319 1.00 0.00 C ATOM 53 OG SER A 6 -9.394 -56.022 -1.467 1.00 0.00 O ATOM 0 H SER A 6 -7.967 -57.690 -5.263 1.00 0.00 H new ATOM 0 HA SER A 6 -10.200 -56.848 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.577 -57.846 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.561 -56.458 -2.294 1.00 0.00 H new ATOM 0 HG SER A 6 -9.040 -56.060 -0.554 1.00 0.00 H new ATOM 59 N GLY A 7 -9.193 -54.366 -3.882 1.00 0.00 N ATOM 60 CA GLY A 7 -8.873 -53.065 -4.440 1.00 0.00 C ATOM 61 C GLY A 7 -8.693 -52.004 -3.372 1.00 0.00 C ATOM 62 O GLY A 7 -9.135 -52.176 -2.235 1.00 0.00 O ATOM 0 H GLY A 7 -9.801 -54.344 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.960 -53.141 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.668 -52.760 -5.121 1.00 0.00 H new ATOM 66 N LEU A 8 -8.041 -50.906 -3.735 1.00 0.00 N ATOM 67 CA LEU A 8 -7.801 -49.813 -2.799 1.00 0.00 C ATOM 68 C LEU A 8 -7.923 -48.462 -3.496 1.00 0.00 C ATOM 69 O LEU A 8 -7.319 -48.236 -4.545 1.00 0.00 O ATOM 70 CB LEU A 8 -6.414 -49.951 -2.168 1.00 0.00 C ATOM 71 CG LEU A 8 -6.255 -49.370 -0.763 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.207 -50.144 0.020 1.00 0.00 C ATOM 73 CD2 LEU A 8 -5.888 -47.894 -0.834 1.00 0.00 C ATOM 0 H LEU A 8 -7.669 -50.748 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.557 -49.866 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.157 -51.010 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.689 -49.468 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.209 -49.462 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.108 -49.716 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.511 -51.188 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.249 -50.085 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.779 -47.497 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.948 -47.778 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.674 -47.348 -1.355 1.00 0.00 H new ATOM 85 N LEU A 9 -8.707 -47.566 -2.906 1.00 0.00 N ATOM 86 CA LEU A 9 -8.907 -46.236 -3.468 1.00 0.00 C ATOM 87 C LEU A 9 -9.060 -45.195 -2.364 1.00 0.00 C ATOM 88 O LEU A 9 -9.218 -45.538 -1.193 1.00 0.00 O ATOM 89 CB LEU A 9 -10.141 -46.223 -4.372 1.00 0.00 C ATOM 90 CG LEU A 9 -11.483 -46.457 -3.678 1.00 0.00 C ATOM 91 CD1 LEU A 9 -12.619 -45.866 -4.498 1.00 0.00 C ATOM 92 CD2 LEU A 9 -11.710 -47.944 -3.444 1.00 0.00 C ATOM 0 H LEU A 9 -9.215 -47.737 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.028 -45.983 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.182 -45.261 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.013 -46.987 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.462 -45.956 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.566 -46.043 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.464 -44.793 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.642 -46.338 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.670 -48.092 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.710 -48.467 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.913 -48.339 -2.815 1.00 0.00 H new ATOM 104 N GLU A 10 -9.013 -43.922 -2.746 1.00 0.00 N ATOM 105 CA GLU A 10 -9.148 -42.832 -1.788 1.00 0.00 C ATOM 106 C GLU A 10 -9.456 -41.517 -2.499 1.00 0.00 C ATOM 107 O GLU A 10 -9.171 -41.360 -3.687 1.00 0.00 O ATOM 108 CB GLU A 10 -7.869 -42.690 -0.960 1.00 0.00 C ATOM 109 CG GLU A 10 -6.642 -42.352 -1.790 1.00 0.00 C ATOM 110 CD GLU A 10 -5.939 -43.586 -2.321 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.738 -44.538 -1.538 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.589 -43.599 -3.520 1.00 0.00 O ATOM 0 H GLU A 10 -8.882 -43.621 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.979 -43.068 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.016 -41.912 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.689 -43.621 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.937 -41.718 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.945 -41.774 -1.183 1.00 0.00 H new ATOM 119 N ILE A 11 -10.039 -40.576 -1.764 1.00 0.00 N ATOM 120 CA ILE A 11 -10.385 -39.276 -2.324 1.00 0.00 C ATOM 121 C ILE A 11 -9.254 -38.273 -2.124 1.00 0.00 C ATOM 122 O ILE A 11 -8.463 -38.390 -1.188 1.00 0.00 O ATOM 123 CB ILE A 11 -11.671 -38.714 -1.689 1.00 0.00 C ATOM 124 CG1 ILE A 11 -12.819 -39.715 -1.838 1.00 0.00 C ATOM 125 CG2 ILE A 11 -12.038 -37.381 -2.326 1.00 0.00 C ATOM 126 CD1 ILE A 11 -12.921 -40.693 -0.689 1.00 0.00 C ATOM 0 H ILE A 11 -10.281 -40.690 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.551 -39.426 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.492 -38.550 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.758 -39.168 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.688 -40.270 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.949 -36.997 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.227 -36.669 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.202 -37.521 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.756 -41.372 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.997 -41.266 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.084 -40.147 0.240 1.00 0.00 H new ATOM 138 N LYS A 12 -9.183 -37.286 -3.011 1.00 0.00 N ATOM 139 CA LYS A 12 -8.150 -36.259 -2.932 1.00 0.00 C ATOM 140 C LYS A 12 -8.473 -35.091 -3.859 1.00 0.00 C ATOM 141 O LYS A 12 -8.774 -35.286 -5.036 1.00 0.00 O ATOM 142 CB LYS A 12 -6.786 -36.850 -3.295 1.00 0.00 C ATOM 143 CG LYS A 12 -6.762 -37.537 -4.649 1.00 0.00 C ATOM 144 CD LYS A 12 -7.337 -38.941 -4.573 1.00 0.00 C ATOM 145 CE LYS A 12 -6.703 -39.860 -5.605 1.00 0.00 C ATOM 146 NZ LYS A 12 -7.443 -39.838 -6.898 1.00 0.00 N ATOM 0 H LYS A 12 -9.828 -37.175 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.118 -35.889 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.041 -36.054 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.494 -37.567 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.333 -36.948 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.737 -37.582 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.176 -39.348 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.415 -38.903 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.669 -39.558 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.679 -40.879 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.979 -40.477 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.423 -40.150 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.444 -38.871 -7.281 1.00 0.00 H new ATOM 160 N ARG A 13 -8.407 -33.878 -3.319 1.00 0.00 N ATOM 161 CA ARG A 13 -8.692 -32.679 -4.098 1.00 0.00 C ATOM 162 C ARG A 13 -8.229 -31.428 -3.358 1.00 0.00 C ATOM 163 O ARG A 13 -7.972 -31.463 -2.155 1.00 0.00 O ATOM 164 CB ARG A 13 -10.189 -32.583 -4.397 1.00 0.00 C ATOM 165 CG ARG A 13 -11.022 -32.146 -3.202 1.00 0.00 C ATOM 166 CD ARG A 13 -11.094 -33.237 -2.145 1.00 0.00 C ATOM 167 NE ARG A 13 -11.854 -32.813 -0.972 1.00 0.00 N ATOM 168 CZ ARG A 13 -12.167 -33.623 0.033 1.00 0.00 C ATOM 169 NH1 ARG A 13 -11.787 -34.893 0.008 1.00 0.00 N ATOM 170 NH2 ARG A 13 -12.862 -33.162 1.066 1.00 0.00 N ATOM 0 H ARG A 13 -8.159 -33.700 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.145 -32.748 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.343 -31.878 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.545 -33.554 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.591 -31.244 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.029 -31.891 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.555 -34.127 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.085 -33.515 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.161 -31.842 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.253 -35.250 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.029 -35.513 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.156 -32.185 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.102 -33.784 1.838 1.00 0.00 H new ATOM 184 N LYS A 14 -8.123 -30.321 -4.087 1.00 0.00 N ATOM 185 CA LYS A 14 -7.691 -29.058 -3.501 1.00 0.00 C ATOM 186 C LYS A 14 -8.232 -28.902 -2.084 1.00 0.00 C ATOM 187 O LYS A 14 -7.492 -28.568 -1.160 1.00 0.00 O ATOM 188 CB LYS A 14 -8.156 -27.885 -4.368 1.00 0.00 C ATOM 189 CG LYS A 14 -7.474 -27.823 -5.724 1.00 0.00 C ATOM 190 CD LYS A 14 -8.288 -27.015 -6.721 1.00 0.00 C ATOM 191 CE LYS A 14 -7.463 -26.646 -7.944 1.00 0.00 C ATOM 192 NZ LYS A 14 -8.307 -26.075 -9.030 1.00 0.00 N ATOM 0 H LYS A 14 -8.331 -30.274 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.602 -29.060 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.233 -27.958 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.970 -26.953 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.485 -27.378 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.329 -28.834 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.161 -27.589 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.656 -26.108 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.697 -25.924 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.945 -27.531 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.708 -25.836 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.022 -26.773 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.781 -25.216 -8.686 1.00 0.00 H new ATOM 206 N GLY A 15 -9.528 -29.147 -1.920 1.00 0.00 N ATOM 207 CA GLY A 15 -10.146 -29.030 -0.611 1.00 0.00 C ATOM 208 C GLY A 15 -9.506 -29.943 0.416 1.00 0.00 C ATOM 209 O GLY A 15 -9.487 -31.162 0.247 1.00 0.00 O ATOM 0 H GLY A 15 -10.162 -29.424 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.074 -27.997 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.207 -29.266 -0.691 1.00 0.00 H new ATOM 213 N ALA A 16 -8.978 -29.352 1.483 1.00 0.00 N ATOM 214 CA ALA A 16 -8.334 -30.120 2.541 1.00 0.00 C ATOM 215 C ALA A 16 -9.323 -30.462 3.651 1.00 0.00 C ATOM 216 O ALA A 16 -10.409 -29.886 3.729 1.00 0.00 O ATOM 217 CB ALA A 16 -7.150 -29.351 3.106 1.00 0.00 C ATOM 0 H ALA A 16 -8.984 -28.344 1.637 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.974 -31.054 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.679 -29.937 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.427 -29.163 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.495 -28.402 3.516 1.00 0.00 H new ATOM 223 N LYS A 17 -8.942 -31.403 4.508 1.00 0.00 N ATOM 224 CA LYS A 17 -9.794 -31.822 5.614 1.00 0.00 C ATOM 225 C LYS A 17 -10.560 -30.636 6.191 1.00 0.00 C ATOM 226 O LYS A 17 -11.788 -30.659 6.273 1.00 0.00 O ATOM 227 CB LYS A 17 -8.954 -32.482 6.710 1.00 0.00 C ATOM 228 CG LYS A 17 -8.311 -33.789 6.280 1.00 0.00 C ATOM 229 CD LYS A 17 -7.913 -34.635 7.477 1.00 0.00 C ATOM 230 CE LYS A 17 -6.719 -34.040 8.209 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.434 -34.368 7.532 1.00 0.00 N ATOM 0 H LYS A 17 -8.047 -31.890 4.458 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.514 -32.545 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.174 -31.789 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.586 -32.666 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.005 -34.348 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.431 -33.580 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.757 -34.717 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.671 -35.645 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.832 -32.958 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.697 -34.415 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.645 -33.945 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.313 -35.400 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.445 -33.988 6.564 1.00 0.00 H new ATOM 245 N ARG A 18 -9.827 -29.600 6.586 1.00 0.00 N ATOM 246 CA ARG A 18 -10.438 -28.405 7.155 1.00 0.00 C ATOM 247 C ARG A 18 -10.367 -27.239 6.173 1.00 0.00 C ATOM 248 O ARG A 18 -11.388 -26.656 5.810 1.00 0.00 O ATOM 249 CB ARG A 18 -9.745 -28.025 8.465 1.00 0.00 C ATOM 250 CG ARG A 18 -10.572 -27.105 9.347 1.00 0.00 C ATOM 251 CD ARG A 18 -9.808 -26.695 10.596 1.00 0.00 C ATOM 252 NE ARG A 18 -10.413 -25.540 11.254 1.00 0.00 N ATOM 253 CZ ARG A 18 -10.235 -25.249 12.538 1.00 0.00 C ATOM 254 NH1 ARG A 18 -9.473 -26.024 13.297 1.00 0.00 N ATOM 255 NH2 ARG A 18 -10.819 -24.180 13.064 1.00 0.00 N ATOM 0 H ARG A 18 -8.810 -29.564 6.522 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.486 -28.625 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.512 -28.934 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.796 -27.539 8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.854 -26.216 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.496 -27.607 9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.776 -27.533 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.777 -26.462 10.330 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.005 -24.923 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.022 -26.846 12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.338 -25.798 14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.405 -23.581 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.682 -23.957 14.050 1.00 0.00 H new ATOM 269 N GLY A 19 -9.152 -26.903 5.747 1.00 0.00 N ATOM 270 CA GLY A 19 -8.970 -25.808 4.812 1.00 0.00 C ATOM 271 C GLY A 19 -9.348 -24.467 5.409 1.00 0.00 C ATOM 272 O GLY A 19 -10.380 -23.893 5.060 1.00 0.00 O ATOM 0 H GLY A 19 -8.291 -27.370 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.929 -25.778 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.574 -25.989 3.923 1.00 0.00 H new ATOM 276 N SER A 20 -8.512 -23.967 6.314 1.00 0.00 N ATOM 277 CA SER A 20 -8.767 -22.688 6.965 1.00 0.00 C ATOM 278 C SER A 20 -9.302 -21.666 5.966 1.00 0.00 C ATOM 279 O SER A 20 -10.414 -21.161 6.115 1.00 0.00 O ATOM 280 CB SER A 20 -7.487 -22.160 7.616 1.00 0.00 C ATOM 281 OG SER A 20 -7.693 -20.874 8.176 1.00 0.00 O ATOM 0 H SER A 20 -7.653 -24.428 6.613 1.00 0.00 H new ATOM 0 HA SER A 20 -9.521 -22.845 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.159 -22.850 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.690 -22.114 6.874 1.00 0.00 H new ATOM 0 HG SER A 20 -6.861 -20.559 8.587 1.00 0.00 H new ATOM 287 N GLN A 21 -8.501 -21.369 4.948 1.00 0.00 N ATOM 288 CA GLN A 21 -8.893 -20.407 3.924 1.00 0.00 C ATOM 289 C GLN A 21 -9.796 -21.059 2.882 1.00 0.00 C ATOM 290 O GLN A 21 -9.905 -22.284 2.819 1.00 0.00 O ATOM 291 CB GLN A 21 -7.654 -19.819 3.246 1.00 0.00 C ATOM 292 CG GLN A 21 -6.881 -20.827 2.411 1.00 0.00 C ATOM 293 CD GLN A 21 -5.933 -21.669 3.242 1.00 0.00 C ATOM 294 OE1 GLN A 21 -6.110 -22.881 3.369 1.00 0.00 O ATOM 295 NE2 GLN A 21 -4.920 -21.030 3.814 1.00 0.00 N ATOM 0 H GLN A 21 -7.578 -21.780 4.810 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.449 -19.604 4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.958 -18.989 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.993 -19.409 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.584 -21.481 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.315 -20.299 1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.812 -20.024 3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.250 -21.545 4.386 1.00 0.00 H new ATOM 304 N HIS A 22 -10.442 -20.232 2.066 1.00 0.00 N ATOM 305 CA HIS A 22 -11.337 -20.729 1.026 1.00 0.00 C ATOM 306 C HIS A 22 -10.640 -20.738 -0.331 1.00 0.00 C ATOM 307 O HIS A 22 -10.546 -21.777 -0.985 1.00 0.00 O ATOM 308 CB HIS A 22 -12.600 -19.871 0.959 1.00 0.00 C ATOM 309 CG HIS A 22 -13.586 -20.169 2.046 1.00 0.00 C ATOM 310 ND1 HIS A 22 -14.340 -19.195 2.666 1.00 0.00 N ATOM 311 CD2 HIS A 22 -13.940 -21.341 2.623 1.00 0.00 C ATOM 312 CE1 HIS A 22 -15.114 -19.755 3.578 1.00 0.00 C ATOM 313 NE2 HIS A 22 -14.891 -21.057 3.572 1.00 0.00 N ATOM 0 H HIS A 22 -10.363 -19.216 2.104 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.615 -21.752 1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.318 -18.820 1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.081 -20.022 -0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.548 -22.318 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -15.811 -19.236 4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -15.350 -21.740 4.174 1.00 0.00 H new ATOM 321 N TYR A 23 -10.154 -19.574 -0.748 1.00 0.00 N ATOM 322 CA TYR A 23 -9.469 -19.447 -2.029 1.00 0.00 C ATOM 323 C TYR A 23 -8.775 -18.093 -2.144 1.00 0.00 C ATOM 324 O TYR A 23 -8.884 -17.250 -1.254 1.00 0.00 O ATOM 325 CB TYR A 23 -10.459 -19.625 -3.181 1.00 0.00 C ATOM 326 CG TYR A 23 -9.803 -20.000 -4.491 1.00 0.00 C ATOM 327 CD1 TYR A 23 -9.379 -21.301 -4.730 1.00 0.00 C ATOM 328 CD2 TYR A 23 -9.607 -19.053 -5.488 1.00 0.00 C ATOM 329 CE1 TYR A 23 -8.778 -21.648 -5.925 1.00 0.00 C ATOM 330 CE2 TYR A 23 -9.009 -19.391 -6.686 1.00 0.00 C ATOM 331 CZ TYR A 23 -8.596 -20.690 -6.900 1.00 0.00 C ATOM 332 OH TYR A 23 -7.999 -21.031 -8.092 1.00 0.00 O ATOM 0 H TYR A 23 -10.222 -18.705 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.712 -20.229 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.181 -20.396 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.017 -18.698 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.521 -22.054 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.928 -18.035 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.453 -22.664 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.865 -18.643 -7.451 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.947 -20.241 -8.670 1.00 0.00 H new ATOM 342 N SER A 24 -8.063 -17.892 -3.248 1.00 0.00 N ATOM 343 CA SER A 24 -7.349 -16.642 -3.480 1.00 0.00 C ATOM 344 C SER A 24 -8.158 -15.452 -2.973 1.00 0.00 C ATOM 345 O SER A 24 -9.388 -15.484 -2.960 1.00 0.00 O ATOM 346 CB SER A 24 -7.047 -16.471 -4.970 1.00 0.00 C ATOM 347 OG SER A 24 -8.211 -16.093 -5.685 1.00 0.00 O ATOM 0 H SER A 24 -7.965 -18.579 -3.996 1.00 0.00 H new ATOM 0 HA SER A 24 -6.409 -16.681 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.273 -15.715 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.655 -17.404 -5.374 1.00 0.00 H new ATOM 0 HG SER A 24 -8.688 -16.896 -5.981 1.00 0.00 H new ATOM 353 N ASP A 25 -7.457 -14.403 -2.557 1.00 0.00 N ATOM 354 CA ASP A 25 -8.109 -13.201 -2.050 1.00 0.00 C ATOM 355 C ASP A 25 -7.200 -11.985 -2.201 1.00 0.00 C ATOM 356 O ASP A 25 -6.004 -12.120 -2.460 1.00 0.00 O ATOM 357 CB ASP A 25 -8.496 -13.385 -0.582 1.00 0.00 C ATOM 358 CG ASP A 25 -9.021 -12.108 0.043 1.00 0.00 C ATOM 359 OD1 ASP A 25 -10.194 -11.762 -0.212 1.00 0.00 O ATOM 360 OD2 ASP A 25 -8.260 -11.454 0.787 1.00 0.00 O ATOM 0 H ASP A 25 -6.438 -14.361 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.012 -13.032 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.256 -14.163 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.628 -13.730 -0.021 1.00 0.00 H new ATOM 365 N ARG A 26 -7.775 -10.798 -2.037 1.00 0.00 N ATOM 366 CA ARG A 26 -7.017 -9.559 -2.158 1.00 0.00 C ATOM 367 C ARG A 26 -7.021 -8.790 -0.840 1.00 0.00 C ATOM 368 O ARG A 26 -7.960 -8.052 -0.540 1.00 0.00 O ATOM 369 CB ARG A 26 -7.599 -8.686 -3.271 1.00 0.00 C ATOM 370 CG ARG A 26 -7.754 -9.413 -4.597 1.00 0.00 C ATOM 371 CD ARG A 26 -6.405 -9.699 -5.237 1.00 0.00 C ATOM 372 NE ARG A 26 -6.526 -10.564 -6.407 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.506 -11.229 -6.938 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.296 -11.128 -6.406 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.696 -11.997 -8.004 1.00 0.00 N ATOM 0 H ARG A 26 -8.763 -10.669 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.987 -9.815 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.573 -8.311 -2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.955 -7.818 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.289 -10.350 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.359 -8.811 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.936 -8.759 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.749 -10.170 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.444 -10.663 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.147 -10.539 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.514 -11.640 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.626 -12.077 -8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.912 -12.507 -8.411 1.00 0.00 H new ATOM 389 N THR A 27 -5.963 -8.967 -0.054 1.00 0.00 N ATOM 390 CA THR A 27 -5.844 -8.292 1.232 1.00 0.00 C ATOM 391 C THR A 27 -4.481 -7.625 1.379 1.00 0.00 C ATOM 392 O THR A 27 -3.481 -8.109 0.849 1.00 0.00 O ATOM 393 CB THR A 27 -6.052 -9.272 2.402 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.634 -10.587 2.020 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.512 -9.302 2.830 1.00 0.00 C ATOM 0 H THR A 27 -5.176 -9.573 -0.286 1.00 0.00 H new ATOM 0 HA THR A 27 -6.623 -7.530 1.262 1.00 0.00 H new ATOM 0 HB THR A 27 -5.450 -8.931 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.378 -11.053 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.634 -10.001 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.818 -8.306 3.148 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.131 -9.621 1.991 1.00 0.00 H new ATOM 403 N CYS A 28 -4.448 -6.510 2.102 1.00 0.00 N ATOM 404 CA CYS A 28 -3.208 -5.776 2.319 1.00 0.00 C ATOM 405 C CYS A 28 -2.089 -6.716 2.758 1.00 0.00 C ATOM 406 O CYS A 28 -2.339 -7.855 3.150 1.00 0.00 O ATOM 407 CB CYS A 28 -3.415 -4.685 3.372 1.00 0.00 C ATOM 408 SG CYS A 28 -2.081 -3.445 3.430 1.00 0.00 S ATOM 0 H CYS A 28 -5.267 -6.095 2.547 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.920 -5.312 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.359 -4.178 3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.504 -5.153 4.352 1.00 0.00 H new ATOM 413 N ALA A 29 -0.854 -6.229 2.688 1.00 0.00 N ATOM 414 CA ALA A 29 0.303 -7.024 3.080 1.00 0.00 C ATOM 415 C ALA A 29 0.911 -6.506 4.379 1.00 0.00 C ATOM 416 O ALA A 29 1.890 -7.059 4.881 1.00 0.00 O ATOM 417 CB ALA A 29 1.345 -7.023 1.970 1.00 0.00 C ATOM 0 H ALA A 29 -0.630 -5.288 2.364 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.031 -8.048 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.204 -7.621 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.912 -7.448 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.666 -6.000 1.774 1.00 0.00 H new ATOM 423 N ARG A 30 0.325 -5.443 4.918 1.00 0.00 N ATOM 424 CA ARG A 30 0.810 -4.849 6.159 1.00 0.00 C ATOM 425 C ARG A 30 -0.288 -4.829 7.218 1.00 0.00 C ATOM 426 O ARG A 30 -0.015 -4.940 8.413 1.00 0.00 O ATOM 427 CB ARG A 30 1.316 -3.428 5.905 1.00 0.00 C ATOM 428 CG ARG A 30 2.155 -3.296 4.645 1.00 0.00 C ATOM 429 CD ARG A 30 3.631 -3.521 4.933 1.00 0.00 C ATOM 430 NE ARG A 30 3.958 -4.940 5.042 1.00 0.00 N ATOM 431 CZ ARG A 30 3.989 -5.600 6.195 1.00 0.00 C ATOM 432 NH1 ARG A 30 3.714 -4.973 7.330 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.295 -6.891 6.213 1.00 0.00 N ATOM 0 H ARG A 30 -0.487 -4.975 4.515 1.00 0.00 H new ATOM 0 HA ARG A 30 1.634 -5.460 6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.462 -2.755 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.908 -3.104 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.814 -4.017 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.014 -2.304 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.228 -3.072 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.901 -3.015 5.860 1.00 0.00 H new ATOM 0 HE ARG A 30 4.174 -5.452 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.478 -3.981 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.739 -5.483 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.507 -7.377 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.319 -7.397 7.098 1.00 0.00 H new ATOM 447 N CYS A 31 -1.531 -4.685 6.771 1.00 0.00 N ATOM 448 CA CYS A 31 -2.672 -4.649 7.679 1.00 0.00 C ATOM 449 C CYS A 31 -3.670 -5.753 7.342 1.00 0.00 C ATOM 450 O CYS A 31 -4.628 -5.982 8.080 1.00 0.00 O ATOM 451 CB CYS A 31 -3.360 -3.285 7.611 1.00 0.00 C ATOM 452 SG CYS A 31 -4.171 -2.939 6.017 1.00 0.00 S ATOM 0 H CYS A 31 -1.774 -4.591 5.785 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.305 -4.813 8.692 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.104 -3.225 8.405 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.622 -2.508 7.807 1.00 0.00 H new ATOM 457 N GLN A 32 -3.438 -6.432 6.224 1.00 0.00 N ATOM 458 CA GLN A 32 -4.318 -7.511 5.790 1.00 0.00 C ATOM 459 C GLN A 32 -5.774 -7.057 5.783 1.00 0.00 C ATOM 460 O GLN A 32 -6.660 -7.777 6.241 1.00 0.00 O ATOM 461 CB GLN A 32 -4.155 -8.728 6.702 1.00 0.00 C ATOM 462 CG GLN A 32 -2.958 -9.596 6.350 1.00 0.00 C ATOM 463 CD GLN A 32 -3.285 -10.646 5.306 1.00 0.00 C ATOM 464 OE1 GLN A 32 -4.335 -11.287 5.362 1.00 0.00 O ATOM 465 NE2 GLN A 32 -2.385 -10.828 4.346 1.00 0.00 N ATOM 0 H GLN A 32 -2.649 -6.255 5.602 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.038 -7.787 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.056 -8.388 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.060 -9.334 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.150 -8.963 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.593 -10.087 7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.528 -10.274 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.551 -11.521 3.616 1.00 0.00 H new ATOM 474 N GLU A 33 -6.012 -5.858 5.260 1.00 0.00 N ATOM 475 CA GLU A 33 -7.361 -5.309 5.195 1.00 0.00 C ATOM 476 C GLU A 33 -8.117 -5.861 3.989 1.00 0.00 C ATOM 477 O GLU A 33 -7.555 -6.592 3.173 1.00 0.00 O ATOM 478 CB GLU A 33 -7.311 -3.781 5.122 1.00 0.00 C ATOM 479 CG GLU A 33 -7.331 -3.106 6.483 1.00 0.00 C ATOM 480 CD GLU A 33 -7.231 -1.596 6.387 1.00 0.00 C ATOM 481 OE1 GLU A 33 -7.801 -1.023 5.435 1.00 0.00 O ATOM 482 OE2 GLU A 33 -6.583 -0.988 7.264 1.00 0.00 O ATOM 0 H GLU A 33 -5.289 -5.249 4.876 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.890 -5.606 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.408 -3.480 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.159 -3.426 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.251 -3.373 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.504 -3.484 7.084 1.00 0.00 H new ATOM 489 N SER A 34 -9.394 -5.508 3.886 1.00 0.00 N ATOM 490 CA SER A 34 -10.228 -5.972 2.783 1.00 0.00 C ATOM 491 C SER A 34 -10.145 -5.014 1.599 1.00 0.00 C ATOM 492 O SER A 34 -10.813 -3.978 1.575 1.00 0.00 O ATOM 493 CB SER A 34 -11.682 -6.111 3.240 1.00 0.00 C ATOM 494 OG SER A 34 -12.526 -6.456 2.155 1.00 0.00 O ATOM 0 H SER A 34 -9.874 -4.903 4.552 1.00 0.00 H new ATOM 0 HA SER A 34 -9.859 -6.947 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.752 -6.873 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.019 -5.174 3.683 1.00 0.00 H new ATOM 0 HG SER A 34 -13.449 -6.540 2.473 1.00 0.00 H new ATOM 500 N LEU A 35 -9.322 -5.366 0.618 1.00 0.00 N ATOM 501 CA LEU A 35 -9.150 -4.538 -0.571 1.00 0.00 C ATOM 502 C LEU A 35 -10.209 -4.864 -1.619 1.00 0.00 C ATOM 503 O LEU A 35 -9.983 -4.700 -2.817 1.00 0.00 O ATOM 504 CB LEU A 35 -7.753 -4.742 -1.161 1.00 0.00 C ATOM 505 CG LEU A 35 -6.582 -4.537 -0.199 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.319 -5.178 -0.752 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.360 -3.054 0.062 1.00 0.00 C ATOM 0 H LEU A 35 -8.763 -6.219 0.622 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.265 -3.495 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.694 -5.753 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.632 -4.058 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.825 -5.020 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.496 -5.022 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.483 -6.247 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.071 -4.725 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.523 -2.927 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.139 -2.548 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.259 -2.623 0.502 1.00 0.00 H new ATOM 519 N GLY A 36 -11.368 -5.326 -1.158 1.00 0.00 N ATOM 520 CA GLY A 36 -12.446 -5.665 -2.069 1.00 0.00 C ATOM 521 C GLY A 36 -12.731 -4.561 -3.067 1.00 0.00 C ATOM 522 O GLY A 36 -12.566 -4.747 -4.273 1.00 0.00 O ATOM 0 H GLY A 36 -11.579 -5.471 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.190 -6.578 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.349 -5.875 -1.496 1.00 0.00 H new ATOM 526 N ARG A 37 -13.162 -3.408 -2.565 1.00 0.00 N ATOM 527 CA ARG A 37 -13.474 -2.271 -3.422 1.00 0.00 C ATOM 528 C ARG A 37 -12.208 -1.709 -4.062 1.00 0.00 C ATOM 529 O ARG A 37 -12.217 -1.296 -5.223 1.00 0.00 O ATOM 530 CB ARG A 37 -14.180 -1.177 -2.618 1.00 0.00 C ATOM 531 CG ARG A 37 -15.591 -1.548 -2.193 1.00 0.00 C ATOM 532 CD ARG A 37 -16.279 -0.396 -1.478 1.00 0.00 C ATOM 533 NE ARG A 37 -15.724 -0.170 -0.146 1.00 0.00 N ATOM 534 CZ ARG A 37 -14.645 0.570 0.085 1.00 0.00 C ATOM 535 NH1 ARG A 37 -14.010 1.154 -0.922 1.00 0.00 N ATOM 536 NH2 ARG A 37 -14.201 0.729 1.325 1.00 0.00 N ATOM 0 H ARG A 37 -13.303 -3.237 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.139 -2.617 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.589 -0.952 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.217 -0.266 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.173 -1.833 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.558 -2.417 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.177 0.512 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.346 -0.605 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.190 -0.604 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.350 1.036 -1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.182 1.722 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.688 0.283 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.373 1.297 1.501 1.00 0.00 H new ATOM 550 N LEU A 38 -11.121 -1.697 -3.299 1.00 0.00 N ATOM 551 CA LEU A 38 -9.846 -1.186 -3.791 1.00 0.00 C ATOM 552 C LEU A 38 -9.238 -2.136 -4.818 1.00 0.00 C ATOM 553 O LEU A 38 -9.349 -3.356 -4.692 1.00 0.00 O ATOM 554 CB LEU A 38 -8.873 -0.983 -2.629 1.00 0.00 C ATOM 555 CG LEU A 38 -9.024 0.323 -1.847 1.00 0.00 C ATOM 556 CD1 LEU A 38 -8.209 0.275 -0.564 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.603 1.509 -2.704 1.00 0.00 C ATOM 0 H LEU A 38 -11.097 -2.035 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.030 -0.227 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.990 -1.815 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.857 -1.034 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.074 0.446 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.329 1.213 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.556 -0.551 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.157 0.128 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.717 2.430 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.560 1.392 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.230 1.555 -3.594 1.00 0.00 H new ATOM 569 N SER A 39 -8.594 -1.569 -5.833 1.00 0.00 N ATOM 570 CA SER A 39 -7.969 -2.366 -6.883 1.00 0.00 C ATOM 571 C SER A 39 -6.562 -2.792 -6.477 1.00 0.00 C ATOM 572 O SER A 39 -5.705 -1.968 -6.154 1.00 0.00 O ATOM 573 CB SER A 39 -7.917 -1.573 -8.191 1.00 0.00 C ATOM 574 OG SER A 39 -7.416 -2.370 -9.250 1.00 0.00 O ATOM 0 H SER A 39 -8.491 -0.561 -5.951 1.00 0.00 H new ATOM 0 HA SER A 39 -8.572 -3.262 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.915 -1.214 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.285 -0.694 -8.062 1.00 0.00 H new ATOM 0 HG SER A 39 -7.394 -1.842 -10.075 1.00 0.00 H new ATOM 580 N PRO A 40 -6.316 -4.110 -6.492 1.00 0.00 N ATOM 581 CA PRO A 40 -5.014 -4.677 -6.128 1.00 0.00 C ATOM 582 C PRO A 40 -3.937 -4.365 -7.162 1.00 0.00 C ATOM 583 O PRO A 40 -2.851 -3.897 -6.821 1.00 0.00 O ATOM 584 CB PRO A 40 -5.285 -6.183 -6.076 1.00 0.00 C ATOM 585 CG PRO A 40 -6.450 -6.390 -6.981 1.00 0.00 C ATOM 586 CD PRO A 40 -7.291 -5.149 -6.865 1.00 0.00 C ATOM 0 HA PRO A 40 -4.637 -4.265 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.418 -6.753 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.509 -6.510 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.123 -6.545 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.017 -7.274 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.790 -4.913 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.069 -5.260 -6.110 1.00 0.00 H new ATOM 594 N LYS A 41 -4.246 -4.627 -8.428 1.00 0.00 N ATOM 595 CA LYS A 41 -3.305 -4.374 -9.513 1.00 0.00 C ATOM 596 C LYS A 41 -2.557 -3.064 -9.289 1.00 0.00 C ATOM 597 O LYS A 41 -1.347 -3.059 -9.058 1.00 0.00 O ATOM 598 CB LYS A 41 -4.042 -4.329 -10.854 1.00 0.00 C ATOM 599 CG LYS A 41 -3.133 -4.050 -12.038 1.00 0.00 C ATOM 600 CD LYS A 41 -3.881 -3.353 -13.163 1.00 0.00 C ATOM 601 CE LYS A 41 -3.236 -3.626 -14.513 1.00 0.00 C ATOM 602 NZ LYS A 41 -3.656 -4.940 -15.073 1.00 0.00 N ATOM 0 H LYS A 41 -5.141 -5.014 -8.728 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.580 -5.188 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.549 -5.281 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.813 -3.560 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.296 -3.430 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.713 -4.987 -12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.917 -3.692 -13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.900 -2.279 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.503 -2.832 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.151 -3.606 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.195 -5.089 -15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.379 -5.700 -14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.688 -4.950 -15.198 1.00 0.00 H new ATOM 616 N THR A 42 -3.283 -1.952 -9.356 1.00 0.00 N ATOM 617 CA THR A 42 -2.688 -0.637 -9.160 1.00 0.00 C ATOM 618 C THR A 42 -2.139 -0.487 -7.746 1.00 0.00 C ATOM 619 O THR A 42 -1.190 0.262 -7.515 1.00 0.00 O ATOM 620 CB THR A 42 -3.708 0.487 -9.424 1.00 0.00 C ATOM 621 OG1 THR A 42 -3.100 1.763 -9.201 1.00 0.00 O ATOM 622 CG2 THR A 42 -4.925 0.335 -8.524 1.00 0.00 C ATOM 0 H THR A 42 -4.285 -1.937 -9.545 1.00 0.00 H new ATOM 0 HA THR A 42 -1.870 -0.551 -9.876 1.00 0.00 H new ATOM 0 HB THR A 42 -4.032 0.417 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.755 2.472 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.631 1.140 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.403 -0.625 -8.718 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.614 0.382 -7.480 1.00 0.00 H new ATOM 630 N ASN A 43 -2.741 -1.204 -6.803 1.00 0.00 N ATOM 631 CA ASN A 43 -2.311 -1.151 -5.411 1.00 0.00 C ATOM 632 C ASN A 43 -1.167 -2.128 -5.157 1.00 0.00 C ATOM 633 O ASN A 43 -1.170 -2.863 -4.169 1.00 0.00 O ATOM 634 CB ASN A 43 -3.483 -1.468 -4.481 1.00 0.00 C ATOM 635 CG ASN A 43 -4.487 -0.334 -4.407 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.256 0.750 -4.944 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.609 -0.579 -3.741 1.00 0.00 N ATOM 0 H ASN A 43 -3.528 -1.829 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.955 -0.141 -5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.985 -2.371 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.103 -1.679 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.322 0.146 -3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.758 -1.492 -3.312 1.00 0.00 H new ATOM 644 N THR A 44 -0.187 -2.130 -6.055 1.00 0.00 N ATOM 645 CA THR A 44 0.964 -3.015 -5.930 1.00 0.00 C ATOM 646 C THR A 44 2.239 -2.226 -5.657 1.00 0.00 C ATOM 647 O THR A 44 2.652 -1.395 -6.466 1.00 0.00 O ATOM 648 CB THR A 44 1.161 -3.864 -7.200 1.00 0.00 C ATOM 649 OG1 THR A 44 -0.001 -4.665 -7.440 1.00 0.00 O ATOM 650 CG2 THR A 44 2.383 -4.760 -7.068 1.00 0.00 C ATOM 0 H THR A 44 -0.168 -1.528 -6.878 1.00 0.00 H new ATOM 0 HA THR A 44 0.763 -3.676 -5.087 1.00 0.00 H new ATOM 0 HB THR A 44 1.315 -3.188 -8.041 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.557 -4.238 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.502 -5.350 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.270 -4.145 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.254 -5.428 -6.216 1.00 0.00 H new ATOM 658 N CYS A 45 2.858 -2.489 -4.511 1.00 0.00 N ATOM 659 CA CYS A 45 4.087 -1.803 -4.131 1.00 0.00 C ATOM 660 C CYS A 45 5.210 -2.111 -5.118 1.00 0.00 C ATOM 661 O CYS A 45 5.688 -3.242 -5.197 1.00 0.00 O ATOM 662 CB CYS A 45 4.509 -2.214 -2.718 1.00 0.00 C ATOM 663 SG CYS A 45 6.171 -1.639 -2.242 1.00 0.00 S ATOM 0 H CYS A 45 2.529 -3.172 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 45 3.895 -0.730 -4.149 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.783 -1.823 -2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.477 -3.301 -2.642 1.00 0.00 H new ATOM 668 N ARG A 46 5.625 -1.095 -5.868 1.00 0.00 N ATOM 669 CA ARG A 46 6.690 -1.256 -6.850 1.00 0.00 C ATOM 670 C ARG A 46 7.975 -1.740 -6.184 1.00 0.00 C ATOM 671 O ARG A 46 8.877 -2.250 -6.849 1.00 0.00 O ATOM 672 CB ARG A 46 6.946 0.065 -7.578 1.00 0.00 C ATOM 673 CG ARG A 46 5.685 0.712 -8.127 1.00 0.00 C ATOM 674 CD ARG A 46 6.001 1.669 -9.266 1.00 0.00 C ATOM 675 NE ARG A 46 4.831 1.935 -10.098 1.00 0.00 N ATOM 676 CZ ARG A 46 3.914 2.851 -9.806 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.033 3.586 -8.709 1.00 0.00 N ATOM 678 NH2 ARG A 46 2.877 3.035 -10.613 1.00 0.00 N ATOM 0 H ARG A 46 5.240 -0.152 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 46 6.372 -2.006 -7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.432 0.760 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.641 -0.111 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.002 -0.061 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.174 1.250 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.376 2.607 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.796 1.249 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 46 4.711 1.388 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.830 3.449 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.328 4.289 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.783 2.473 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.174 3.739 -10.387 1.00 0.00 H new ATOM 692 N GLY A 47 8.052 -1.575 -4.867 1.00 0.00 N ATOM 693 CA GLY A 47 9.230 -1.999 -4.134 1.00 0.00 C ATOM 694 C GLY A 47 9.313 -3.506 -3.991 1.00 0.00 C ATOM 695 O GLY A 47 10.236 -4.136 -4.509 1.00 0.00 O ATOM 0 H GLY A 47 7.319 -1.155 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.122 -1.636 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.222 -1.543 -3.144 1.00 0.00 H new ATOM 699 N CYS A 48 8.348 -4.086 -3.286 1.00 0.00 N ATOM 700 CA CYS A 48 8.317 -5.528 -3.074 1.00 0.00 C ATOM 701 C CYS A 48 7.182 -6.170 -3.868 1.00 0.00 C ATOM 702 O CYS A 48 6.744 -7.277 -3.560 1.00 0.00 O ATOM 703 CB CYS A 48 8.154 -5.843 -1.586 1.00 0.00 C ATOM 704 SG CYS A 48 6.764 -4.976 -0.790 1.00 0.00 S ATOM 0 H CYS A 48 7.577 -3.579 -2.852 1.00 0.00 H new ATOM 0 HA CYS A 48 9.263 -5.942 -3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.014 -6.917 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.076 -5.582 -1.067 1.00 0.00 H new ATOM 709 N ASN A 49 6.711 -5.465 -4.891 1.00 0.00 N ATOM 710 CA ASN A 49 5.627 -5.965 -5.729 1.00 0.00 C ATOM 711 C ASN A 49 4.574 -6.680 -4.888 1.00 0.00 C ATOM 712 O ASN A 49 4.060 -7.729 -5.278 1.00 0.00 O ATOM 713 CB ASN A 49 6.176 -6.915 -6.796 1.00 0.00 C ATOM 714 CG ASN A 49 7.166 -6.235 -7.722 1.00 0.00 C ATOM 715 OD1 ASN A 49 8.313 -6.665 -7.846 1.00 0.00 O ATOM 716 ND2 ASN A 49 6.725 -5.167 -8.377 1.00 0.00 N ATOM 0 H ASN A 49 7.063 -4.546 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 49 5.157 -5.112 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.660 -7.762 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.349 -7.314 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.345 -4.667 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.766 -4.847 -8.243 1.00 0.00 H new ATOM 723 N HIS A 50 4.258 -6.105 -3.732 1.00 0.00 N ATOM 724 CA HIS A 50 3.265 -6.686 -2.835 1.00 0.00 C ATOM 725 C HIS A 50 1.932 -5.953 -2.951 1.00 0.00 C ATOM 726 O HIS A 50 1.837 -4.918 -3.612 1.00 0.00 O ATOM 727 CB HIS A 50 3.763 -6.640 -1.390 1.00 0.00 C ATOM 728 CG HIS A 50 4.627 -7.804 -1.017 1.00 0.00 C ATOM 729 ND1 HIS A 50 5.645 -7.902 -0.130 1.00 0.00 N flip ATOM 730 CD2 HIS A 50 4.492 -9.054 -1.582 1.00 0.00 C flip ATOM 731 CE1 HIS A 50 6.100 -9.197 -0.174 1.00 0.00 C flip ATOM 732 NE2 HIS A 50 5.387 -9.872 -1.058 1.00 0.00 N flip ATOM 0 H HIS A 50 4.675 -5.238 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 50 3.113 -7.726 -3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.324 -5.718 -1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.904 -6.606 -0.719 1.00 0.00 H new ATOM 0 HD1 HIS A 50 6.007 -7.153 0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.767 -9.323 -2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.909 -9.598 0.418 1.00 0.00 H new ATOM 740 N LEU A 51 0.906 -6.495 -2.305 1.00 0.00 N ATOM 741 CA LEU A 51 -0.422 -5.892 -2.336 1.00 0.00 C ATOM 742 C LEU A 51 -0.721 -5.167 -1.028 1.00 0.00 C ATOM 743 O LEU A 51 -0.837 -5.790 0.028 1.00 0.00 O ATOM 744 CB LEU A 51 -1.484 -6.963 -2.593 1.00 0.00 C ATOM 745 CG LEU A 51 -2.933 -6.544 -2.346 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.419 -5.623 -3.455 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.831 -7.767 -2.235 1.00 0.00 C ATOM 0 H LEU A 51 0.968 -7.351 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.445 -5.164 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.394 -7.295 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.263 -7.824 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.977 -5.999 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.452 -5.335 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.794 -4.731 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.360 -6.142 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.859 -7.449 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.782 -8.340 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.497 -8.390 -1.405 1.00 0.00 H new ATOM 759 N VAL A 52 -0.848 -3.846 -1.105 1.00 0.00 N ATOM 760 CA VAL A 52 -1.137 -3.035 0.072 1.00 0.00 C ATOM 761 C VAL A 52 -2.255 -2.038 -0.209 1.00 0.00 C ATOM 762 O VAL A 52 -2.625 -1.812 -1.362 1.00 0.00 O ATOM 763 CB VAL A 52 0.112 -2.269 0.547 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.978 -3.154 1.430 1.00 0.00 C ATOM 765 CG2 VAL A 52 0.905 -1.753 -0.645 1.00 0.00 C ATOM 0 H VAL A 52 -0.755 -3.314 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.454 -3.720 0.858 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.212 -1.412 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.856 -2.596 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.405 -3.470 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.295 -4.031 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.784 -1.214 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.219 -2.593 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.281 -1.081 -1.234 1.00 0.00 H new ATOM 775 N CYS A 53 -2.790 -1.442 0.852 1.00 0.00 N ATOM 776 CA CYS A 53 -3.866 -0.468 0.721 1.00 0.00 C ATOM 777 C CYS A 53 -3.307 0.938 0.528 1.00 0.00 C ATOM 778 O CYS A 53 -2.092 1.137 0.513 1.00 0.00 O ATOM 779 CB CYS A 53 -4.769 -0.505 1.956 1.00 0.00 C ATOM 780 SG CYS A 53 -3.966 0.086 3.481 1.00 0.00 S ATOM 0 H CYS A 53 -2.495 -1.617 1.813 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.454 -0.730 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.654 0.103 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.112 -1.528 2.112 1.00 0.00 H new ATOM 785 N ARG A 54 -4.201 1.910 0.382 1.00 0.00 N ATOM 786 CA ARG A 54 -3.797 3.298 0.189 1.00 0.00 C ATOM 787 C ARG A 54 -3.492 3.966 1.526 1.00 0.00 C ATOM 788 O ARG A 54 -3.554 5.189 1.649 1.00 0.00 O ATOM 789 CB ARG A 54 -4.894 4.074 -0.542 1.00 0.00 C ATOM 790 CG ARG A 54 -5.116 3.613 -1.973 1.00 0.00 C ATOM 791 CD ARG A 54 -5.803 4.685 -2.804 1.00 0.00 C ATOM 792 NE ARG A 54 -4.851 5.648 -3.351 1.00 0.00 N ATOM 793 CZ ARG A 54 -5.179 6.885 -3.706 1.00 0.00 C ATOM 794 NH1 ARG A 54 -6.429 7.307 -3.572 1.00 0.00 N ATOM 795 NH2 ARG A 54 -4.256 7.703 -4.195 1.00 0.00 N ATOM 0 H ARG A 54 -5.210 1.762 0.394 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.891 3.305 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.828 3.975 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.637 5.133 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.158 3.358 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.721 2.707 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.352 4.215 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.534 5.208 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.881 5.354 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.141 6.681 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.678 8.258 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.293 7.382 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.509 8.653 -4.467 1.00 0.00 H new ATOM 809 N ASP A 55 -3.163 3.154 2.525 1.00 0.00 N ATOM 810 CA ASP A 55 -2.847 3.666 3.854 1.00 0.00 C ATOM 811 C ASP A 55 -1.478 3.176 4.314 1.00 0.00 C ATOM 812 O ASP A 55 -0.794 3.847 5.088 1.00 0.00 O ATOM 813 CB ASP A 55 -3.920 3.238 4.857 1.00 0.00 C ATOM 814 CG ASP A 55 -3.795 3.963 6.183 1.00 0.00 C ATOM 815 OD1 ASP A 55 -4.059 5.183 6.219 1.00 0.00 O ATOM 816 OD2 ASP A 55 -3.433 3.310 7.184 1.00 0.00 O ATOM 0 H ASP A 55 -3.108 2.139 2.440 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.824 4.754 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.906 3.429 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.848 2.164 5.025 1.00 0.00 H new ATOM 821 N CYS A 56 -1.084 2.001 3.835 1.00 0.00 N ATOM 822 CA CYS A 56 0.202 1.418 4.198 1.00 0.00 C ATOM 823 C CYS A 56 1.252 1.711 3.130 1.00 0.00 C ATOM 824 O CYS A 56 2.279 1.036 3.054 1.00 0.00 O ATOM 825 CB CYS A 56 0.064 -0.093 4.393 1.00 0.00 C ATOM 826 SG CYS A 56 -0.994 -0.567 5.798 1.00 0.00 S ATOM 0 H CYS A 56 -1.638 1.433 3.194 1.00 0.00 H new ATOM 0 HA CYS A 56 0.526 1.870 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.343 -0.531 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.056 -0.522 4.537 1.00 0.00 H new ATOM 831 N ARG A 57 0.986 2.720 2.307 1.00 0.00 N ATOM 832 CA ARG A 57 1.907 3.101 1.243 1.00 0.00 C ATOM 833 C ARG A 57 2.517 4.472 1.517 1.00 0.00 C ATOM 834 O ARG A 57 2.099 5.175 2.438 1.00 0.00 O ATOM 835 CB ARG A 57 1.184 3.113 -0.106 1.00 0.00 C ATOM 836 CG ARG A 57 -0.082 3.954 -0.111 1.00 0.00 C ATOM 837 CD ARG A 57 -0.655 4.089 -1.513 1.00 0.00 C ATOM 838 NE ARG A 57 0.167 4.949 -2.360 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.265 5.495 -3.491 1.00 0.00 C ATOM 840 NH1 ARG A 57 -1.503 5.273 -3.908 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.543 6.266 -4.208 1.00 0.00 N ATOM 0 H ARG A 57 0.140 3.288 2.357 1.00 0.00 H new ATOM 0 HA ARG A 57 2.710 2.365 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.864 3.491 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.931 2.089 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.825 3.499 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.135 4.943 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.735 3.102 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.664 4.496 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 57 1.125 5.141 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.127 4.681 -3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.832 5.694 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.497 6.440 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.210 6.685 -5.076 1.00 0.00 H new ATOM 855 N ILE A 58 3.507 4.845 0.713 1.00 0.00 N ATOM 856 CA ILE A 58 4.174 6.132 0.869 1.00 0.00 C ATOM 857 C ILE A 58 4.359 6.822 -0.478 1.00 0.00 C ATOM 858 O ILE A 58 5.025 6.296 -1.369 1.00 0.00 O ATOM 859 CB ILE A 58 5.548 5.975 1.546 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.380 5.467 2.980 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.300 7.298 1.532 1.00 0.00 C ATOM 862 CD1 ILE A 58 5.183 3.970 3.071 1.00 0.00 C ATOM 0 H ILE A 58 3.865 4.274 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 58 3.533 6.745 1.503 1.00 0.00 H new ATOM 0 HB ILE A 58 6.130 5.242 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.259 5.746 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.525 5.966 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.269 7.171 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.447 7.622 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.723 8.050 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.071 3.681 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.288 3.687 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.048 3.463 2.645 1.00 0.00 H new ATOM 874 N GLN A 59 3.766 8.003 -0.618 1.00 0.00 N ATOM 875 CA GLN A 59 3.867 8.766 -1.856 1.00 0.00 C ATOM 876 C GLN A 59 5.250 9.393 -1.998 1.00 0.00 C ATOM 877 O GLN A 59 5.659 10.209 -1.173 1.00 0.00 O ATOM 878 CB GLN A 59 2.794 9.855 -1.898 1.00 0.00 C ATOM 879 CG GLN A 59 1.482 9.393 -2.512 1.00 0.00 C ATOM 880 CD GLN A 59 1.558 9.258 -4.020 1.00 0.00 C ATOM 881 OE1 GLN A 59 0.474 8.792 -4.628 1.00 0.00 O flip ATOM 882 NE2 GLN A 59 2.581 9.569 -4.631 1.00 0.00 N flip ATOM 0 H GLN A 59 3.211 8.452 0.110 1.00 0.00 H new ATOM 0 HA GLN A 59 3.712 8.080 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.607 10.208 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.172 10.705 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.201 8.433 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.695 10.102 -2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.391 9.923 -4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.618 9.472 -5.646 1.00 0.00 H new ATOM 891 N GLU A 60 5.965 9.005 -3.050 1.00 0.00 N ATOM 892 CA GLU A 60 7.303 9.529 -3.298 1.00 0.00 C ATOM 893 C GLU A 60 7.264 10.654 -4.329 1.00 0.00 C ATOM 894 O GLU A 60 6.436 10.648 -5.239 1.00 0.00 O ATOM 895 CB GLU A 60 8.231 8.413 -3.781 1.00 0.00 C ATOM 896 CG GLU A 60 8.640 7.444 -2.683 1.00 0.00 C ATOM 897 CD GLU A 60 9.721 8.008 -1.781 1.00 0.00 C ATOM 898 OE1 GLU A 60 9.565 9.155 -1.314 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.724 7.302 -1.544 1.00 0.00 O ATOM 0 H GLU A 60 5.640 8.331 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 60 7.687 9.931 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.735 7.858 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.127 8.858 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.766 7.191 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.995 6.518 -3.135 1.00 0.00 H new ATOM 906 N SER A 61 8.166 11.619 -4.178 1.00 0.00 N ATOM 907 CA SER A 61 8.233 12.753 -5.092 1.00 0.00 C ATOM 908 C SER A 61 8.581 12.292 -6.504 1.00 0.00 C ATOM 909 O SER A 61 7.853 12.571 -7.456 1.00 0.00 O ATOM 910 CB SER A 61 9.270 13.767 -4.605 1.00 0.00 C ATOM 911 OG SER A 61 8.953 14.236 -3.306 1.00 0.00 O ATOM 0 H SER A 61 8.860 11.638 -3.431 1.00 0.00 H new ATOM 0 HA SER A 61 7.253 13.229 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.258 13.307 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.315 14.607 -5.298 1.00 0.00 H new ATOM 0 HG SER A 61 9.631 14.881 -3.017 1.00 0.00 H new ATOM 917 N ASN A 62 9.699 11.585 -6.631 1.00 0.00 N ATOM 918 CA ASN A 62 10.145 11.086 -7.927 1.00 0.00 C ATOM 919 C ASN A 62 8.954 10.734 -8.813 1.00 0.00 C ATOM 920 O ASN A 62 8.753 11.334 -9.868 1.00 0.00 O ATOM 921 CB ASN A 62 11.038 9.857 -7.743 1.00 0.00 C ATOM 922 CG ASN A 62 12.041 9.698 -8.870 1.00 0.00 C ATOM 923 OD1 ASN A 62 12.715 10.653 -9.255 1.00 0.00 O ATOM 924 ND2 ASN A 62 12.142 8.486 -9.405 1.00 0.00 N ATOM 0 H ASN A 62 10.313 11.345 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 62 10.718 11.874 -8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.570 9.936 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.416 8.964 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.799 8.318 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.563 7.724 -9.054 1.00 0.00 H new ATOM 931 N GLY A 63 8.165 9.757 -8.376 1.00 0.00 N ATOM 932 CA GLY A 63 7.004 9.343 -9.141 1.00 0.00 C ATOM 933 C GLY A 63 6.617 7.902 -8.873 1.00 0.00 C ATOM 934 O GLY A 63 6.129 7.205 -9.764 1.00 0.00 O ATOM 0 H GLY A 63 8.309 9.245 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.163 9.993 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.209 9.469 -10.204 1.00 0.00 H new ATOM 938 N THR A 64 6.835 7.451 -7.642 1.00 0.00 N ATOM 939 CA THR A 64 6.509 6.083 -7.259 1.00 0.00 C ATOM 940 C THR A 64 5.964 6.025 -5.837 1.00 0.00 C ATOM 941 O THR A 64 5.783 7.056 -5.189 1.00 0.00 O ATOM 942 CB THR A 64 7.739 5.162 -7.364 1.00 0.00 C ATOM 943 OG1 THR A 64 8.802 5.669 -6.549 1.00 0.00 O ATOM 944 CG2 THR A 64 8.210 5.048 -8.806 1.00 0.00 C ATOM 0 H THR A 64 7.237 8.014 -6.892 1.00 0.00 H new ATOM 0 HA THR A 64 5.744 5.735 -7.952 1.00 0.00 H new ATOM 0 HB THR A 64 7.453 4.171 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.580 5.077 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.080 4.392 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.409 4.634 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.479 6.036 -9.180 1.00 0.00 H new ATOM 952 N TRP A 65 5.706 4.814 -5.357 1.00 0.00 N ATOM 953 CA TRP A 65 5.182 4.622 -4.009 1.00 0.00 C ATOM 954 C TRP A 65 5.523 3.231 -3.485 1.00 0.00 C ATOM 955 O TRP A 65 5.487 2.251 -4.230 1.00 0.00 O ATOM 956 CB TRP A 65 3.666 4.828 -3.995 1.00 0.00 C ATOM 957 CG TRP A 65 2.907 3.697 -4.618 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.365 3.665 -5.871 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.603 2.434 -4.015 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.743 2.458 -6.084 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.876 1.685 -4.961 1.00 0.00 C ATOM 962 CE3 TRP A 65 2.876 1.862 -2.770 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.419 0.397 -4.698 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.422 0.583 -2.510 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.700 -0.138 -3.470 1.00 0.00 C ATOM 0 H TRP A 65 5.851 3.951 -5.880 1.00 0.00 H new ATOM 0 HA TRP A 65 5.648 5.360 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.333 4.955 -2.965 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.427 5.751 -4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.417 4.470 -6.589 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.261 2.183 -6.939 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.432 2.410 -2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.862 -0.161 -5.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.627 0.132 -1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.358 -1.136 -3.236 1.00 0.00 H new ATOM 976 N ARG A 66 5.853 3.152 -2.201 1.00 0.00 N ATOM 977 CA ARG A 66 6.201 1.880 -1.578 1.00 0.00 C ATOM 978 C ARG A 66 5.475 1.709 -0.247 1.00 0.00 C ATOM 979 O ARG A 66 4.937 2.669 0.306 1.00 0.00 O ATOM 980 CB ARG A 66 7.713 1.791 -1.362 1.00 0.00 C ATOM 981 CG ARG A 66 8.459 1.165 -2.529 1.00 0.00 C ATOM 982 CD ARG A 66 9.965 1.246 -2.336 1.00 0.00 C ATOM 983 NE ARG A 66 10.677 1.323 -3.609 1.00 0.00 N ATOM 984 CZ ARG A 66 11.963 1.022 -3.750 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.674 0.626 -2.704 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.541 1.116 -4.941 1.00 0.00 N ATOM 0 H ARG A 66 5.887 3.953 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 66 5.888 1.079 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.106 2.792 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.909 1.209 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.160 0.122 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.182 1.672 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.206 2.121 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.307 0.372 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 66 10.159 1.624 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.234 0.552 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.661 0.396 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.998 1.420 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.529 0.885 -5.048 1.00 0.00 H new ATOM 1000 N CYS A 67 5.464 0.482 0.262 1.00 0.00 N ATOM 1001 CA CYS A 67 4.804 0.184 1.527 1.00 0.00 C ATOM 1002 C CYS A 67 5.611 0.728 2.702 1.00 0.00 C ATOM 1003 O CYS A 67 6.791 1.049 2.564 1.00 0.00 O ATOM 1004 CB CYS A 67 4.610 -1.326 1.682 1.00 0.00 C ATOM 1005 SG CYS A 67 6.164 -2.276 1.707 1.00 0.00 S ATOM 0 H CYS A 67 5.905 -0.323 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 67 3.828 0.670 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.064 -1.519 2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.989 -1.688 0.863 1.00 0.00 H new ATOM 1010 N LYS A 68 4.966 0.827 3.860 1.00 0.00 N ATOM 1011 CA LYS A 68 5.622 1.330 5.061 1.00 0.00 C ATOM 1012 C LYS A 68 6.926 0.583 5.322 1.00 0.00 C ATOM 1013 O LYS A 68 7.931 1.182 5.704 1.00 0.00 O ATOM 1014 CB LYS A 68 4.693 1.194 6.269 1.00 0.00 C ATOM 1015 CG LYS A 68 3.318 1.803 6.051 1.00 0.00 C ATOM 1016 CD LYS A 68 3.367 3.321 6.098 1.00 0.00 C ATOM 1017 CE LYS A 68 2.869 3.854 7.432 1.00 0.00 C ATOM 1018 NZ LYS A 68 3.447 5.190 7.747 1.00 0.00 N ATOM 0 H LYS A 68 3.989 0.565 3.992 1.00 0.00 H new ATOM 0 HA LYS A 68 5.853 2.384 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.579 0.138 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.160 1.671 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.925 1.480 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.631 1.436 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.390 3.658 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.759 3.731 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.781 3.925 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.128 3.151 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.083 5.518 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.484 5.118 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.179 5.868 7.005 1.00 0.00 H new ATOM 1032 N VAL A 69 6.902 -0.730 5.113 1.00 0.00 N ATOM 1033 CA VAL A 69 8.083 -1.559 5.323 1.00 0.00 C ATOM 1034 C VAL A 69 9.208 -1.164 4.373 1.00 0.00 C ATOM 1035 O VAL A 69 10.375 -1.112 4.763 1.00 0.00 O ATOM 1036 CB VAL A 69 7.762 -3.053 5.129 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.012 -3.897 5.326 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.658 -3.488 6.080 1.00 0.00 C ATOM 0 H VAL A 69 6.078 -1.242 4.799 1.00 0.00 H new ATOM 0 HA VAL A 69 8.406 -1.395 6.351 1.00 0.00 H new ATOM 0 HB VAL A 69 7.410 -3.202 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.766 -4.950 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.769 -3.601 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.398 -3.746 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.444 -4.546 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.979 -3.326 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.758 -2.904 5.884 1.00 0.00 H new ATOM 1048 N CYS A 70 8.850 -0.885 3.125 1.00 0.00 N ATOM 1049 CA CYS A 70 9.828 -0.494 2.117 1.00 0.00 C ATOM 1050 C CYS A 70 10.400 0.888 2.421 1.00 0.00 C ATOM 1051 O CYS A 70 11.569 1.022 2.781 1.00 0.00 O ATOM 1052 CB CYS A 70 9.190 -0.500 0.727 1.00 0.00 C ATOM 1053 SG CYS A 70 9.352 -2.083 -0.159 1.00 0.00 S ATOM 0 H CYS A 70 7.888 -0.922 2.787 1.00 0.00 H new ATOM 0 HA CYS A 70 10.643 -1.218 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.132 -0.257 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.645 0.288 0.127 1.00 0.00 H new ATOM 1058 N SER A 71 9.566 1.913 2.274 1.00 0.00 N ATOM 1059 CA SER A 71 9.988 3.285 2.529 1.00 0.00 C ATOM 1060 C SER A 71 10.575 3.421 3.930 1.00 0.00 C ATOM 1061 O SER A 71 11.590 4.088 4.128 1.00 0.00 O ATOM 1062 CB SER A 71 8.807 4.243 2.364 1.00 0.00 C ATOM 1063 OG SER A 71 9.211 5.588 2.550 1.00 0.00 O ATOM 0 H SER A 71 8.594 1.819 1.980 1.00 0.00 H new ATOM 0 HA SER A 71 10.760 3.542 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.374 4.124 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.028 3.991 3.083 1.00 0.00 H new ATOM 0 HG SER A 71 8.712 5.979 3.297 1.00 0.00 H new ATOM 1069 N GLY A 72 9.929 2.782 4.901 1.00 0.00 N ATOM 1070 CA GLY A 72 10.401 2.844 6.272 1.00 0.00 C ATOM 1071 C GLY A 72 11.905 2.689 6.375 1.00 0.00 C ATOM 1072 O GLY A 72 12.565 2.204 5.455 1.00 0.00 O ATOM 0 H GLY A 72 9.087 2.223 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.106 3.797 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.917 2.060 6.855 1.00 0.00 H new ATOM 1076 N PRO A 73 12.471 3.110 7.516 1.00 0.00 N ATOM 1077 CA PRO A 73 13.914 3.027 7.762 1.00 0.00 C ATOM 1078 C PRO A 73 14.390 1.590 7.941 1.00 0.00 C ATOM 1079 O PRO A 73 15.580 1.339 8.131 1.00 0.00 O ATOM 1080 CB PRO A 73 14.098 3.818 9.060 1.00 0.00 C ATOM 1081 CG PRO A 73 12.778 3.733 9.746 1.00 0.00 C ATOM 1082 CD PRO A 73 11.745 3.699 8.654 1.00 0.00 C ATOM 0 HA PRO A 73 14.494 3.415 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.891 3.392 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.373 4.853 8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.718 2.840 10.368 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.624 4.589 10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.882 3.096 8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.374 4.697 8.421 1.00 0.00 H new ATOM 1090 N SER A 74 13.452 0.649 7.881 1.00 0.00 N ATOM 1091 CA SER A 74 13.776 -0.764 8.040 1.00 0.00 C ATOM 1092 C SER A 74 15.152 -1.075 7.458 1.00 0.00 C ATOM 1093 O SER A 74 15.550 -0.507 6.441 1.00 0.00 O ATOM 1094 CB SER A 74 12.714 -1.632 7.362 1.00 0.00 C ATOM 1095 OG SER A 74 12.671 -2.926 7.937 1.00 0.00 O ATOM 0 H SER A 74 12.462 0.840 7.724 1.00 0.00 H new ATOM 0 HA SER A 74 13.793 -0.990 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.738 -1.157 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.930 -1.711 6.297 1.00 0.00 H new ATOM 0 HG SER A 74 11.984 -3.461 7.488 1.00 0.00 H new ATOM 1101 N SER A 75 15.872 -1.982 8.110 1.00 0.00 N ATOM 1102 CA SER A 75 17.205 -2.367 7.660 1.00 0.00 C ATOM 1103 C SER A 75 17.129 -3.188 6.376 1.00 0.00 C ATOM 1104 O SER A 75 16.525 -4.259 6.346 1.00 0.00 O ATOM 1105 CB SER A 75 17.922 -3.167 8.749 1.00 0.00 C ATOM 1106 OG SER A 75 19.197 -3.599 8.308 1.00 0.00 O ATOM 0 H SER A 75 15.555 -2.464 8.951 1.00 0.00 H new ATOM 0 HA SER A 75 17.770 -1.457 7.456 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.032 -2.553 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.318 -4.031 9.027 1.00 0.00 H new ATOM 0 HG SER A 75 19.636 -4.107 9.022 1.00 0.00 H new ATOM 1112 N GLY A 76 17.747 -2.676 5.316 1.00 0.00 N ATOM 1113 CA GLY A 76 17.738 -3.374 4.044 1.00 0.00 C ATOM 1114 C GLY A 76 17.450 -2.449 2.878 1.00 0.00 C ATOM 1115 O GLY A 76 17.570 -1.235 3.033 1.00 0.00 O ATOM 0 H GLY A 76 18.253 -1.791 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.703 -3.857 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.987 -4.164 4.072 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.820 -1.571 4.666 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.087 -2.710 -0.389 1.00 0.00 ZN