USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 GLN : amide:sc= 0 X(o=-0.2,f=-0.55) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= -3.36 (180deg=-3.44) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00784 X(o=-0.0078,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.97) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.37) USER MOD Single : A 44 MET CE :methyl 151:sc= -2.46! (180deg=-3.63!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 165:sc= -9.19! (180deg=-12!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 50 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.9!) USER MOD Single : A 52 HIS : no HE2:sc= -14.6! C(o=-15!,f=-21!) USER MOD Single : A 53 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.78) USER MOD Single : A 57 SER OG : rot 85:sc= -0.0643! USER MOD Single : A 60 ASN : amide:sc= 0.201 K(o=0.2,f=-1.2) USER MOD Single : A 61 MET CE :methyl 162:sc=-0.00541 (180deg=-0.123) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0051 X(o=-0.0051,f=-0.18) USER MOD Single : A 76 ASN : amide:sc= -0.0816 K(o=-0.082,f=-2.5!) USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.2 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.814! USER MOD Single : A 90 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.015) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.05 F(o=-3.8!,f=-0.05) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -2.846 -9.463 -10.265 1.00 0.00 N ATOM 96 CA ILE A 7 -2.809 -8.105 -9.747 1.00 0.00 C ATOM 97 C ILE A 7 -3.948 -7.917 -8.742 1.00 0.00 C ATOM 98 O ILE A 7 -5.095 -8.258 -9.027 1.00 0.00 O ATOM 99 CB ILE A 7 -2.828 -7.094 -10.895 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.921 -7.547 -12.040 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.466 -5.693 -10.397 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.730 -8.237 -13.140 1.00 0.00 C ATOM 0 HA ILE A 7 -1.877 -7.926 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.843 -7.044 -11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.396 -6.687 -12.455 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.162 -8.230 -11.659 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.487 -4.993 -11.232 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.186 -5.378 -9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.467 -5.709 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.061 -8.549 -13.942 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.234 -9.111 -12.727 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.472 -7.543 -13.536 1.00 0.00 H new ATOM 114 N LYS A 8 -3.592 -7.372 -7.588 1.00 0.00 N ATOM 115 CA LYS A 8 -4.569 -7.135 -6.540 1.00 0.00 C ATOM 116 C LYS A 8 -4.130 -5.932 -5.703 1.00 0.00 C ATOM 117 O LYS A 8 -2.961 -5.818 -5.336 1.00 0.00 O ATOM 118 CB LYS A 8 -4.795 -8.405 -5.718 1.00 0.00 C ATOM 119 CG LYS A 8 -6.173 -9.005 -6.002 1.00 0.00 C ATOM 120 CD LYS A 8 -7.286 -8.085 -5.495 1.00 0.00 C ATOM 121 CE LYS A 8 -7.217 -7.929 -3.974 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.602 -6.633 -3.612 1.00 0.00 N ATOM 0 H LYS A 8 -2.640 -7.088 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.538 -6.888 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.021 -9.136 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.706 -8.176 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.290 -9.167 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.255 -9.980 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.199 -7.107 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.257 -8.492 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.219 -7.993 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.637 -8.746 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.579 -6.537 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.632 -6.593 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.162 -5.857 -4.019 1.00 0.00 H new ATOM 136 N VAL A 9 -5.091 -5.062 -5.426 1.00 0.00 N ATOM 137 CA VAL A 9 -4.817 -3.871 -4.639 1.00 0.00 C ATOM 138 C VAL A 9 -5.745 -3.845 -3.423 1.00 0.00 C ATOM 139 O VAL A 9 -6.942 -4.104 -3.545 1.00 0.00 O ATOM 140 CB VAL A 9 -4.946 -2.624 -5.516 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.568 -2.102 -5.931 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.819 -2.903 -6.741 1.00 0.00 C ATOM 0 H VAL A 9 -6.059 -5.158 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.793 -3.886 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.435 -1.848 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.687 -1.215 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.993 -1.846 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.041 -2.873 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.894 -2.000 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.371 -3.701 -7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.814 -3.206 -6.417 1.00 0.00 H new ATOM 152 N LEU A 10 -5.159 -3.529 -2.277 1.00 0.00 N ATOM 153 CA LEU A 10 -5.918 -3.465 -1.040 1.00 0.00 C ATOM 154 C LEU A 10 -5.913 -2.027 -0.517 1.00 0.00 C ATOM 155 O LEU A 10 -4.855 -1.472 -0.229 1.00 0.00 O ATOM 156 CB LEU A 10 -5.389 -4.487 -0.033 1.00 0.00 C ATOM 157 CG LEU A 10 -5.315 -4.020 1.422 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.081 -3.146 1.655 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.606 -3.310 1.837 1.00 0.00 C ATOM 0 H LEU A 10 -4.167 -3.314 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.959 -3.736 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.023 -5.373 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.391 -4.793 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.212 -4.899 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.052 -2.827 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.182 -3.718 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.129 -2.269 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.527 -2.988 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.764 -2.441 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.448 -3.995 1.733 1.00 0.00 H new ATOM 171 N ILE A 11 -7.109 -1.466 -0.411 1.00 0.00 N ATOM 172 CA ILE A 11 -7.256 -0.104 0.072 1.00 0.00 C ATOM 173 C ILE A 11 -7.984 -0.120 1.419 1.00 0.00 C ATOM 174 O ILE A 11 -9.211 -0.061 1.466 1.00 0.00 O ATOM 175 CB ILE A 11 -7.936 0.769 -0.984 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.226 0.116 -1.487 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.975 1.095 -2.128 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.931 -0.902 -2.590 1.00 0.00 C ATOM 0 H ILE A 11 -7.985 -1.930 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.278 0.347 0.243 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.214 1.715 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.735 -0.377 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.902 0.882 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.484 1.717 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.111 1.631 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.644 0.170 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.864 -1.351 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.444 -0.401 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.274 -1.680 -2.201 1.00 0.00 H new ATOM 190 N VAL A 12 -7.195 -0.201 2.481 1.00 0.00 N ATOM 191 CA VAL A 12 -7.748 -0.226 3.823 1.00 0.00 C ATOM 192 C VAL A 12 -7.099 0.878 4.659 1.00 0.00 C ATOM 193 O VAL A 12 -5.884 1.068 4.607 1.00 0.00 O ATOM 194 CB VAL A 12 -7.576 -1.618 4.435 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.132 -1.842 4.891 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.555 -1.834 5.591 1.00 0.00 C ATOM 0 H VAL A 12 -6.177 -0.250 2.438 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.819 -0.027 3.797 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.802 -2.353 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.037 -2.839 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.462 -1.751 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.867 -1.096 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.412 -2.831 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.375 -1.088 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.577 -1.737 5.225 1.00 0.00 H new ATOM 206 N ASP A 13 -7.936 1.579 5.410 1.00 0.00 N ATOM 207 CA ASP A 13 -7.457 2.660 6.255 1.00 0.00 C ATOM 208 C ASP A 13 -8.287 2.701 7.540 1.00 0.00 C ATOM 209 O ASP A 13 -9.287 1.996 7.660 1.00 0.00 O ATOM 210 CB ASP A 13 -7.603 4.013 5.555 1.00 0.00 C ATOM 211 CG ASP A 13 -7.047 4.067 4.130 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.319 3.105 3.379 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.365 5.068 3.825 1.00 0.00 O ATOM 0 H ASP A 13 -8.943 1.420 5.451 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.404 2.478 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.660 4.279 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.100 4.772 6.154 1.00 0.00 H new ATOM 218 N ASP A 14 -7.840 3.536 8.468 1.00 0.00 N ATOM 219 CA ASP A 14 -8.529 3.678 9.739 1.00 0.00 C ATOM 220 C ASP A 14 -9.757 4.570 9.552 1.00 0.00 C ATOM 221 O ASP A 14 -10.621 4.636 10.426 1.00 0.00 O ATOM 222 CB ASP A 14 -7.624 4.333 10.785 1.00 0.00 C ATOM 223 CG ASP A 14 -7.830 3.840 12.218 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.602 2.870 12.379 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.209 4.442 13.121 1.00 0.00 O ATOM 0 H ASP A 14 -7.010 4.120 8.364 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.815 2.683 10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.585 4.161 10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.787 5.411 10.761 1.00 0.00 H new ATOM 230 N GLN A 15 -9.798 5.234 8.406 1.00 0.00 N ATOM 231 CA GLN A 15 -10.906 6.120 8.093 1.00 0.00 C ATOM 232 C GLN A 15 -11.192 6.100 6.590 1.00 0.00 C ATOM 233 O GLN A 15 -10.272 6.178 5.778 1.00 0.00 O ATOM 234 CB GLN A 15 -10.627 7.542 8.580 1.00 0.00 C ATOM 235 CG GLN A 15 -11.906 8.208 9.092 1.00 0.00 C ATOM 236 CD GLN A 15 -11.581 9.440 9.940 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.658 10.572 9.491 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.214 9.158 11.186 1.00 0.00 N ATOM 0 H GLN A 15 -9.081 5.176 7.683 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.792 5.761 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.882 7.518 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.206 8.133 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.532 8.498 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.479 7.495 9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.170 8.188 11.498 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.976 9.912 11.831 1.00 0.00 H new ATOM 247 N VAL A 16 -12.473 5.997 6.264 1.00 0.00 N ATOM 248 CA VAL A 16 -12.891 5.967 4.874 1.00 0.00 C ATOM 249 C VAL A 16 -12.236 7.128 4.123 1.00 0.00 C ATOM 250 O VAL A 16 -11.609 6.925 3.084 1.00 0.00 O ATOM 251 CB VAL A 16 -14.419 5.985 4.786 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.984 4.564 4.774 1.00 0.00 C ATOM 253 CG2 VAL A 16 -15.023 6.806 5.927 1.00 0.00 C ATOM 0 H VAL A 16 -13.234 5.933 6.940 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.562 5.044 4.397 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.696 6.463 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.071 4.605 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.591 4.023 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.693 4.049 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.110 6.803 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.733 6.369 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.657 7.831 5.871 1.00 0.00 H new ATOM 263 N THR A 17 -12.402 8.320 4.678 1.00 0.00 N ATOM 264 CA THR A 17 -11.835 9.513 4.075 1.00 0.00 C ATOM 265 C THR A 17 -10.433 9.222 3.535 1.00 0.00 C ATOM 266 O THR A 17 -10.142 9.498 2.372 1.00 0.00 O ATOM 267 CB THR A 17 -11.864 10.631 5.119 1.00 0.00 C ATOM 268 OG1 THR A 17 -11.081 10.121 6.194 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.254 10.826 5.729 1.00 0.00 C ATOM 0 H THR A 17 -12.922 8.484 5.540 1.00 0.00 H new ATOM 0 HA THR A 17 -12.420 9.838 3.215 1.00 0.00 H new ATOM 0 HB THR A 17 -11.534 11.564 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.045 10.783 6.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.219 11.631 6.463 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.964 11.083 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.570 9.904 6.216 1.00 0.00 H new ATOM 277 N SER A 18 -9.602 8.668 4.405 1.00 0.00 N ATOM 278 CA SER A 18 -8.237 8.336 4.030 1.00 0.00 C ATOM 279 C SER A 18 -8.240 7.259 2.942 1.00 0.00 C ATOM 280 O SER A 18 -7.622 7.431 1.893 1.00 0.00 O ATOM 281 CB SER A 18 -7.433 7.865 5.242 1.00 0.00 C ATOM 282 OG SER A 18 -7.256 8.903 6.203 1.00 0.00 O ATOM 0 H SER A 18 -9.847 8.440 5.369 1.00 0.00 H new ATOM 0 HA SER A 18 -7.761 9.235 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.942 7.022 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.458 7.506 4.913 1.00 0.00 H new ATOM 0 HG SER A 18 -6.739 8.561 6.962 1.00 0.00 H new ATOM 288 N ARG A 19 -8.943 6.174 3.232 1.00 0.00 N ATOM 289 CA ARG A 19 -9.035 5.070 2.292 1.00 0.00 C ATOM 290 C ARG A 19 -9.758 5.514 1.019 1.00 0.00 C ATOM 291 O ARG A 19 -9.140 5.654 -0.035 1.00 0.00 O ATOM 292 CB ARG A 19 -9.781 3.884 2.906 1.00 0.00 C ATOM 293 CG ARG A 19 -9.663 2.642 2.020 1.00 0.00 C ATOM 294 CD ARG A 19 -10.881 2.505 1.104 1.00 0.00 C ATOM 295 NE ARG A 19 -12.116 2.423 1.914 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.435 1.382 2.694 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.613 0.329 2.775 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.579 1.395 3.393 1.00 0.00 N ATOM 0 H ARG A 19 -9.454 6.036 4.104 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.019 4.759 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.377 3.669 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.832 4.141 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.756 2.705 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.571 1.753 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.936 3.358 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.782 1.613 0.485 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.765 3.209 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.743 0.319 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.856 -0.464 3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.206 2.197 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.823 0.603 3.987 1.00 0.00 H new ATOM 312 N LEU A 20 -11.059 5.726 1.159 1.00 0.00 N ATOM 313 CA LEU A 20 -11.873 6.152 0.033 1.00 0.00 C ATOM 314 C LEU A 20 -11.090 7.166 -0.803 1.00 0.00 C ATOM 315 O LEU A 20 -11.264 7.239 -2.018 1.00 0.00 O ATOM 316 CB LEU A 20 -13.229 6.671 0.519 1.00 0.00 C ATOM 317 CG LEU A 20 -13.543 8.132 0.191 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.944 8.512 0.673 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.470 9.064 0.756 1.00 0.00 C ATOM 0 H LEU A 20 -11.569 5.611 2.035 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.095 5.307 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.011 6.046 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.279 6.543 1.600 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.532 8.249 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.143 9.555 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.682 7.877 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.007 8.375 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.718 10.096 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.424 8.952 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.502 8.809 0.323 1.00 0.00 H new ATOM 331 N LEU A 21 -10.244 7.921 -0.118 1.00 0.00 N ATOM 332 CA LEU A 21 -9.434 8.927 -0.783 1.00 0.00 C ATOM 333 C LEU A 21 -8.417 8.237 -1.694 1.00 0.00 C ATOM 334 O LEU A 21 -8.319 8.560 -2.877 1.00 0.00 O ATOM 335 CB LEU A 21 -8.799 9.869 0.244 1.00 0.00 C ATOM 336 CG LEU A 21 -9.619 11.106 0.617 1.00 0.00 C ATOM 337 CD1 LEU A 21 -9.139 11.702 1.941 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.604 12.135 -0.515 1.00 0.00 C ATOM 0 H LEU A 21 -10.102 7.856 0.890 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.056 9.557 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.600 9.302 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.835 10.200 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.655 10.800 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.738 12.580 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.245 10.961 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.092 11.991 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.194 13.004 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.577 12.443 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.030 11.692 -1.415 1.00 0.00 H new ATOM 350 N LEU A 22 -7.687 7.299 -1.109 1.00 0.00 N ATOM 351 CA LEU A 22 -6.681 6.561 -1.854 1.00 0.00 C ATOM 352 C LEU A 22 -7.373 5.631 -2.853 1.00 0.00 C ATOM 353 O LEU A 22 -6.979 5.560 -4.016 1.00 0.00 O ATOM 354 CB LEU A 22 -5.731 5.838 -0.898 1.00 0.00 C ATOM 355 CG LEU A 22 -6.386 4.902 0.121 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.935 3.648 -0.561 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.417 4.560 1.254 1.00 0.00 C ATOM 0 H LEU A 22 -7.772 7.033 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.057 7.243 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.023 5.259 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.155 6.587 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.233 5.423 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.395 3.000 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.681 3.934 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.121 3.115 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.908 3.894 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.536 4.067 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.116 5.475 1.764 1.00 0.00 H new ATOM 369 N GLY A 23 -8.392 4.942 -2.362 1.00 0.00 N ATOM 370 CA GLY A 23 -9.143 4.020 -3.197 1.00 0.00 C ATOM 371 C GLY A 23 -9.724 4.734 -4.418 1.00 0.00 C ATOM 372 O GLY A 23 -9.875 4.133 -5.481 1.00 0.00 O ATOM 0 H GLY A 23 -8.715 5.004 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.494 3.207 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.949 3.572 -2.616 1.00 0.00 H new ATOM 376 N ASP A 24 -10.034 6.008 -4.227 1.00 0.00 N ATOM 377 CA ASP A 24 -10.595 6.812 -5.300 1.00 0.00 C ATOM 378 C ASP A 24 -9.487 7.179 -6.288 1.00 0.00 C ATOM 379 O ASP A 24 -9.664 7.053 -7.499 1.00 0.00 O ATOM 380 CB ASP A 24 -11.196 8.111 -4.759 1.00 0.00 C ATOM 381 CG ASP A 24 -12.691 8.047 -4.437 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.215 6.913 -4.400 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.274 9.133 -4.236 1.00 0.00 O ATOM 0 H ASP A 24 -9.907 6.504 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.377 6.228 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.657 8.394 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.031 8.902 -5.490 1.00 0.00 H new ATOM 388 N ALA A 25 -8.369 7.627 -5.736 1.00 0.00 N ATOM 389 CA ALA A 25 -7.232 8.013 -6.554 1.00 0.00 C ATOM 390 C ALA A 25 -6.634 6.768 -7.209 1.00 0.00 C ATOM 391 O ALA A 25 -6.372 6.758 -8.411 1.00 0.00 O ATOM 392 CB ALA A 25 -6.215 8.765 -5.692 1.00 0.00 C ATOM 0 H ALA A 25 -8.226 7.731 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.544 8.687 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.362 9.055 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.681 9.657 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.877 8.119 -4.882 1.00 0.00 H new ATOM 398 N LEU A 26 -6.434 5.745 -6.390 1.00 0.00 N ATOM 399 CA LEU A 26 -5.872 4.496 -6.876 1.00 0.00 C ATOM 400 C LEU A 26 -6.718 3.979 -8.041 1.00 0.00 C ATOM 401 O LEU A 26 -6.184 3.616 -9.088 1.00 0.00 O ATOM 402 CB LEU A 26 -5.724 3.493 -5.730 1.00 0.00 C ATOM 403 CG LEU A 26 -4.450 3.616 -4.891 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.235 3.893 -5.777 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.615 4.671 -3.796 1.00 0.00 C ATOM 0 H LEU A 26 -6.651 5.756 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.865 4.656 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.583 3.599 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.765 2.487 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.274 2.662 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.343 3.976 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.108 3.075 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.386 4.825 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.696 4.739 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.828 5.638 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.439 4.389 -3.141 1.00 0.00 H new ATOM 417 N GLN A 27 -8.024 3.960 -7.819 1.00 0.00 N ATOM 418 CA GLN A 27 -8.950 3.493 -8.837 1.00 0.00 C ATOM 419 C GLN A 27 -8.882 4.396 -10.069 1.00 0.00 C ATOM 420 O GLN A 27 -9.077 3.935 -11.194 1.00 0.00 O ATOM 421 CB GLN A 27 -10.376 3.419 -8.288 1.00 0.00 C ATOM 422 CG GLN A 27 -10.971 4.819 -8.117 1.00 0.00 C ATOM 423 CD GLN A 27 -12.500 4.770 -8.123 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.132 4.190 -7.255 1.00 0.00 O ATOM 425 NE2 GLN A 27 -13.058 5.409 -9.147 1.00 0.00 N ATOM 0 H GLN A 27 -8.463 4.261 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.658 2.485 -9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.000 2.835 -8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.374 2.901 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.621 5.255 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.621 5.467 -8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.471 5.874 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.073 5.434 -9.240 1.00 0.00 H new ATOM 434 N GLN A 28 -8.605 5.668 -9.818 1.00 0.00 N ATOM 435 CA GLN A 28 -8.510 6.640 -10.895 1.00 0.00 C ATOM 436 C GLN A 28 -7.182 6.480 -11.638 1.00 0.00 C ATOM 437 O GLN A 28 -6.996 7.047 -12.713 1.00 0.00 O ATOM 438 CB GLN A 28 -8.673 8.065 -10.363 1.00 0.00 C ATOM 439 CG GLN A 28 -9.413 8.946 -11.371 1.00 0.00 C ATOM 440 CD GLN A 28 -9.285 10.426 -11.004 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.974 10.789 -9.881 1.00 0.00 O ATOM 442 NE2 GLN A 28 -9.544 11.256 -12.009 1.00 0.00 N ATOM 0 H GLN A 28 -8.443 6.048 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.322 6.455 -11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.221 8.045 -9.421 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.693 8.492 -10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.010 8.779 -12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.466 8.665 -11.401 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.799 10.885 -12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.488 12.264 -11.865 1.00 0.00 H new ATOM 451 N LEU A 29 -6.291 5.706 -11.034 1.00 0.00 N ATOM 452 CA LEU A 29 -4.986 5.465 -11.624 1.00 0.00 C ATOM 453 C LEU A 29 -5.105 4.370 -12.685 1.00 0.00 C ATOM 454 O LEU A 29 -4.627 4.532 -13.807 1.00 0.00 O ATOM 455 CB LEU A 29 -3.955 5.157 -10.537 1.00 0.00 C ATOM 456 CG LEU A 29 -3.640 3.677 -10.311 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.692 3.148 -11.389 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.094 3.442 -8.901 1.00 0.00 C ATOM 0 H LEU A 29 -6.448 5.238 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.625 6.361 -12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.027 5.671 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.310 5.580 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.569 3.113 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.484 2.094 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.156 3.261 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.760 3.712 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.878 2.382 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.179 4.019 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.835 3.758 -8.167 1.00 0.00 H new ATOM 470 N GLY A 30 -5.747 3.278 -12.295 1.00 0.00 N ATOM 471 CA GLY A 30 -5.936 2.157 -13.200 1.00 0.00 C ATOM 472 C GLY A 30 -5.534 0.841 -12.530 1.00 0.00 C ATOM 473 O GLY A 30 -4.725 0.088 -13.071 1.00 0.00 O ATOM 0 H GLY A 30 -6.143 3.146 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.979 2.107 -13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.341 2.308 -14.101 1.00 0.00 H new ATOM 477 N PHE A 31 -6.119 0.603 -11.366 1.00 0.00 N ATOM 478 CA PHE A 31 -5.832 -0.609 -10.618 1.00 0.00 C ATOM 479 C PHE A 31 -6.540 -1.815 -11.237 1.00 0.00 C ATOM 480 O PHE A 31 -7.537 -1.661 -11.941 1.00 0.00 O ATOM 481 CB PHE A 31 -6.360 -0.395 -9.198 1.00 0.00 C ATOM 482 CG PHE A 31 -5.293 0.052 -8.198 1.00 0.00 C ATOM 483 CD1 PHE A 31 -4.064 0.429 -8.637 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.576 0.072 -6.867 1.00 0.00 C ATOM 485 CE1 PHE A 31 -3.073 0.845 -7.709 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.585 0.488 -5.938 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.355 0.865 -6.378 1.00 0.00 C ATOM 0 H PHE A 31 -6.791 1.229 -10.922 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.760 -0.807 -10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.153 0.352 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.808 -1.323 -8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.840 0.412 -9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.553 -0.228 -6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.096 1.145 -8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.809 0.505 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.602 1.180 -5.671 1.00 0.00 H new ATOM 497 N LYS A 32 -5.997 -2.991 -10.952 1.00 0.00 N ATOM 498 CA LYS A 32 -6.565 -4.222 -11.473 1.00 0.00 C ATOM 499 C LYS A 32 -7.813 -4.585 -10.665 1.00 0.00 C ATOM 500 O LYS A 32 -8.920 -4.598 -11.200 1.00 0.00 O ATOM 501 CB LYS A 32 -5.508 -5.329 -11.501 1.00 0.00 C ATOM 502 CG LYS A 32 -4.740 -5.321 -12.825 1.00 0.00 C ATOM 503 CD LYS A 32 -5.424 -6.215 -13.860 1.00 0.00 C ATOM 504 CE LYS A 32 -5.095 -5.758 -15.282 1.00 0.00 C ATOM 505 NZ LYS A 32 -6.316 -5.746 -16.119 1.00 0.00 N ATOM 0 H LYS A 32 -5.171 -3.116 -10.367 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.882 -4.088 -12.507 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.813 -5.194 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.987 -6.298 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.675 -4.302 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.719 -5.665 -12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.103 -7.248 -13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.503 -6.194 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.654 -4.761 -15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.352 -6.424 -15.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.074 -5.433 -17.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.720 -6.704 -16.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.013 -5.093 -15.707 1.00 0.00 H new ATOM 519 N GLN A 33 -7.591 -4.870 -9.390 1.00 0.00 N ATOM 520 CA GLN A 33 -8.684 -5.232 -8.504 1.00 0.00 C ATOM 521 C GLN A 33 -8.549 -4.500 -7.168 1.00 0.00 C ATOM 522 O GLN A 33 -7.629 -4.772 -6.397 1.00 0.00 O ATOM 523 CB GLN A 33 -8.743 -6.747 -8.296 1.00 0.00 C ATOM 524 CG GLN A 33 -9.903 -7.363 -9.080 1.00 0.00 C ATOM 525 CD GLN A 33 -11.250 -6.939 -8.493 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.387 -6.685 -7.308 1.00 0.00 O ATOM 527 NE2 GLN A 33 -12.234 -6.877 -9.385 1.00 0.00 N ATOM 0 H GLN A 33 -6.671 -4.858 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.620 -4.926 -8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.804 -7.198 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.859 -6.968 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.845 -7.055 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.821 -8.450 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.051 -7.103 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.172 -6.604 -9.092 1.00 0.00 H new ATOM 536 N ILE A 34 -9.478 -3.584 -6.934 1.00 0.00 N ATOM 537 CA ILE A 34 -9.473 -2.810 -5.704 1.00 0.00 C ATOM 538 C ILE A 34 -10.235 -3.577 -4.621 1.00 0.00 C ATOM 539 O ILE A 34 -11.333 -4.076 -4.865 1.00 0.00 O ATOM 540 CB ILE A 34 -10.014 -1.402 -5.954 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.873 -0.414 -6.207 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.921 -0.951 -4.808 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.408 1.009 -6.382 1.00 0.00 C ATOM 0 H ILE A 34 -10.239 -3.361 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.453 -2.675 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.625 -1.426 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.171 -0.442 -5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.321 -0.711 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.292 0.054 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.763 -1.638 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.355 -0.947 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.577 1.691 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.091 1.039 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.938 1.312 -5.479 1.00 0.00 H new ATOM 555 N THR A 35 -9.622 -3.648 -3.448 1.00 0.00 N ATOM 556 CA THR A 35 -10.229 -4.346 -2.328 1.00 0.00 C ATOM 557 C THR A 35 -10.053 -3.541 -1.039 1.00 0.00 C ATOM 558 O THR A 35 -8.934 -3.369 -0.558 1.00 0.00 O ATOM 559 CB THR A 35 -9.619 -5.747 -2.257 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.735 -6.600 -2.018 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.733 -5.939 -1.024 1.00 0.00 C ATOM 0 H THR A 35 -8.711 -3.234 -3.249 1.00 0.00 H new ATOM 0 HA THR A 35 -11.305 -4.451 -2.464 1.00 0.00 H new ATOM 0 HB THR A 35 -9.033 -5.933 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.430 -7.529 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.326 -6.950 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.916 -5.218 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.326 -5.786 -0.122 1.00 0.00 H new ATOM 569 N ALA A 36 -11.175 -3.068 -0.516 1.00 0.00 N ATOM 570 CA ALA A 36 -11.158 -2.284 0.707 1.00 0.00 C ATOM 571 C ALA A 36 -11.495 -3.192 1.893 1.00 0.00 C ATOM 572 O ALA A 36 -12.232 -4.164 1.745 1.00 0.00 O ATOM 573 CB ALA A 36 -12.130 -1.111 0.575 1.00 0.00 C ATOM 0 H ALA A 36 -12.102 -3.213 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.167 -1.866 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.117 -0.523 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.830 -0.482 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.137 -1.491 0.401 1.00 0.00 H new ATOM 579 N ALA A 37 -10.938 -2.840 3.043 1.00 0.00 N ATOM 580 CA ALA A 37 -11.171 -3.609 4.253 1.00 0.00 C ATOM 581 C ALA A 37 -11.423 -2.653 5.420 1.00 0.00 C ATOM 582 O ALA A 37 -11.444 -1.437 5.238 1.00 0.00 O ATOM 583 CB ALA A 37 -9.980 -4.536 4.506 1.00 0.00 C ATOM 0 H ALA A 37 -10.326 -2.033 3.162 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.056 -4.236 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.155 -5.113 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.862 -5.215 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.074 -3.941 4.623 1.00 0.00 H new ATOM 589 N GLY A 38 -11.608 -3.239 6.594 1.00 0.00 N ATOM 590 CA GLY A 38 -11.859 -2.454 7.791 1.00 0.00 C ATOM 591 C GLY A 38 -10.680 -1.524 8.093 1.00 0.00 C ATOM 592 O GLY A 38 -10.852 -0.310 8.187 1.00 0.00 O ATOM 0 H GLY A 38 -11.589 -4.248 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.767 -1.866 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.029 -3.119 8.638 1.00 0.00 H new ATOM 596 N ASP A 39 -9.511 -2.131 8.236 1.00 0.00 N ATOM 597 CA ASP A 39 -8.305 -1.374 8.525 1.00 0.00 C ATOM 598 C ASP A 39 -7.130 -2.339 8.693 1.00 0.00 C ATOM 599 O ASP A 39 -7.325 -3.549 8.794 1.00 0.00 O ATOM 600 CB ASP A 39 -8.453 -0.578 9.823 1.00 0.00 C ATOM 601 CG ASP A 39 -9.572 -1.056 10.752 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.316 -2.032 11.490 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.656 -0.436 10.701 1.00 0.00 O ATOM 0 H ASP A 39 -9.373 -3.139 8.157 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.132 -0.686 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.509 -0.618 10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.632 0.468 9.572 1.00 0.00 H new ATOM 608 N GLY A 40 -5.935 -1.767 8.720 1.00 0.00 N ATOM 609 CA GLY A 40 -4.729 -2.562 8.874 1.00 0.00 C ATOM 610 C GLY A 40 -4.995 -4.032 8.546 1.00 0.00 C ATOM 611 O GLY A 40 -5.232 -4.380 7.391 1.00 0.00 O ATOM 0 H GLY A 40 -5.777 -0.763 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.948 -2.175 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.360 -2.475 9.896 1.00 0.00 H new ATOM 615 N GLU A 41 -4.946 -4.855 9.583 1.00 0.00 N ATOM 616 CA GLU A 41 -5.178 -6.280 9.420 1.00 0.00 C ATOM 617 C GLU A 41 -6.491 -6.521 8.672 1.00 0.00 C ATOM 618 O GLU A 41 -6.517 -7.230 7.668 1.00 0.00 O ATOM 619 CB GLU A 41 -5.179 -6.994 10.773 1.00 0.00 C ATOM 620 CG GLU A 41 -6.502 -6.776 11.509 1.00 0.00 C ATOM 621 CD GLU A 41 -6.503 -7.493 12.860 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.523 -8.226 13.115 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.485 -7.293 13.607 1.00 0.00 O ATOM 0 H GLU A 41 -4.749 -4.562 10.540 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.363 -6.696 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.013 -8.061 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.355 -6.625 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.667 -5.709 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.327 -7.143 10.898 1.00 0.00 H new ATOM 630 N GLN A 42 -7.550 -5.917 9.192 1.00 0.00 N ATOM 631 CA GLN A 42 -8.863 -6.057 8.586 1.00 0.00 C ATOM 632 C GLN A 42 -8.746 -6.071 7.061 1.00 0.00 C ATOM 633 O GLN A 42 -9.568 -6.679 6.376 1.00 0.00 O ATOM 634 CB GLN A 42 -9.804 -4.945 9.053 1.00 0.00 C ATOM 635 CG GLN A 42 -10.860 -5.489 10.017 1.00 0.00 C ATOM 636 CD GLN A 42 -12.146 -5.856 9.273 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.137 -6.208 8.104 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.246 -5.755 10.012 1.00 0.00 N ATOM 0 H GLN A 42 -7.525 -5.330 10.026 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.289 -7.008 8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.229 -4.159 9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.293 -4.491 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.470 -6.367 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.078 -4.743 10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.181 -5.454 10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.155 -5.978 9.607 1.00 0.00 H new ATOM 647 N GLY A 43 -7.717 -5.394 6.572 1.00 0.00 N ATOM 648 CA GLY A 43 -7.481 -5.321 5.140 1.00 0.00 C ATOM 649 C GLY A 43 -6.271 -6.168 4.740 1.00 0.00 C ATOM 650 O GLY A 43 -6.330 -6.921 3.769 1.00 0.00 O ATOM 0 H GLY A 43 -7.037 -4.891 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.365 -5.667 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.316 -4.284 4.847 1.00 0.00 H new ATOM 654 N MET A 44 -5.203 -6.016 5.508 1.00 0.00 N ATOM 655 CA MET A 44 -3.980 -6.758 5.247 1.00 0.00 C ATOM 656 C MET A 44 -4.254 -8.262 5.191 1.00 0.00 C ATOM 657 O MET A 44 -3.856 -8.934 4.242 1.00 0.00 O ATOM 658 CB MET A 44 -2.959 -6.464 6.346 1.00 0.00 C ATOM 659 CG MET A 44 -2.176 -7.725 6.719 1.00 0.00 C ATOM 660 SD MET A 44 -1.333 -8.365 5.281 1.00 0.00 S ATOM 661 CE MET A 44 -0.082 -7.109 5.071 1.00 0.00 C ATOM 0 H MET A 44 -5.158 -5.390 6.312 1.00 0.00 H new ATOM 0 HA MET A 44 -3.585 -6.444 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.270 -5.690 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.470 -6.075 7.227 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.454 -7.497 7.503 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.854 -8.479 7.120 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.801 -7.549 4.607 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.469 -6.313 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.187 -6.697 6.044 1.00 0.00 H new ATOM 671 N LYS A 45 -4.932 -8.746 6.222 1.00 0.00 N ATOM 672 CA LYS A 45 -5.262 -10.159 6.303 1.00 0.00 C ATOM 673 C LYS A 45 -6.036 -10.569 5.049 1.00 0.00 C ATOM 674 O LYS A 45 -5.862 -11.676 4.541 1.00 0.00 O ATOM 675 CB LYS A 45 -6.000 -10.462 7.608 1.00 0.00 C ATOM 676 CG LYS A 45 -5.339 -9.748 8.790 1.00 0.00 C ATOM 677 CD LYS A 45 -4.958 -10.743 9.887 1.00 0.00 C ATOM 678 CE LYS A 45 -6.203 -11.307 10.574 1.00 0.00 C ATOM 679 NZ LYS A 45 -5.821 -12.230 11.666 1.00 0.00 N ATOM 0 H LYS A 45 -5.262 -8.185 7.008 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.355 -10.762 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.040 -10.147 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.006 -11.537 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.449 -9.219 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.020 -8.999 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.375 -11.558 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.323 -10.251 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.806 -10.491 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.821 -11.832 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.678 -12.603 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.265 -13.018 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.251 -11.719 12.369 1.00 0.00 H new ATOM 693 N ILE A 46 -6.877 -9.656 4.586 1.00 0.00 N ATOM 694 CA ILE A 46 -7.679 -9.909 3.400 1.00 0.00 C ATOM 695 C ILE A 46 -6.754 -10.172 2.211 1.00 0.00 C ATOM 696 O ILE A 46 -6.993 -11.087 1.424 1.00 0.00 O ATOM 697 CB ILE A 46 -8.669 -8.765 3.169 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.019 -9.070 3.820 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.808 -8.455 1.678 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.833 -9.747 5.179 1.00 0.00 C ATOM 0 H ILE A 46 -7.021 -8.740 5.010 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.287 -10.803 3.535 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.276 -7.869 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.584 -8.146 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.605 -9.716 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.517 -7.639 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.838 -8.165 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.168 -9.340 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.809 -9.953 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.290 -10.683 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.268 -9.089 5.839 1.00 0.00 H new ATOM 712 N MET A 47 -5.717 -9.352 2.115 1.00 0.00 N ATOM 713 CA MET A 47 -4.755 -9.485 1.034 1.00 0.00 C ATOM 714 C MET A 47 -3.946 -10.775 1.176 1.00 0.00 C ATOM 715 O MET A 47 -3.558 -11.381 0.178 1.00 0.00 O ATOM 716 CB MET A 47 -3.808 -8.284 1.044 1.00 0.00 C ATOM 717 CG MET A 47 -4.495 -7.037 0.483 1.00 0.00 C ATOM 718 SD MET A 47 -4.598 -7.146 -1.297 1.00 0.00 S ATOM 719 CE MET A 47 -3.061 -6.356 -1.744 1.00 0.00 C ATOM 0 H MET A 47 -5.522 -8.593 2.768 1.00 0.00 H new ATOM 0 HA MET A 47 -5.299 -9.522 0.090 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.472 -8.091 2.063 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.921 -8.511 0.453 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.494 -6.940 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.938 -6.145 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.833 -6.569 -2.788 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.152 -5.279 -1.605 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.259 -6.737 -1.112 1.00 0.00 H new ATOM 729 N ALA A 48 -3.716 -11.158 2.423 1.00 0.00 N ATOM 730 CA ALA A 48 -2.960 -12.366 2.707 1.00 0.00 C ATOM 731 C ALA A 48 -3.712 -13.576 2.150 1.00 0.00 C ATOM 732 O ALA A 48 -3.121 -14.427 1.486 1.00 0.00 O ATOM 733 CB ALA A 48 -2.716 -12.473 4.214 1.00 0.00 C ATOM 0 H ALA A 48 -4.040 -10.653 3.248 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.985 -12.332 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.149 -13.379 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.153 -11.604 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.672 -12.512 4.736 1.00 0.00 H new ATOM 739 N GLN A 49 -5.004 -13.615 2.441 1.00 0.00 N ATOM 740 CA GLN A 49 -5.842 -14.708 1.979 1.00 0.00 C ATOM 741 C GLN A 49 -5.926 -14.702 0.451 1.00 0.00 C ATOM 742 O GLN A 49 -5.489 -15.648 -0.202 1.00 0.00 O ATOM 743 CB GLN A 49 -7.237 -14.632 2.604 1.00 0.00 C ATOM 744 CG GLN A 49 -7.149 -14.441 4.119 1.00 0.00 C ATOM 745 CD GLN A 49 -7.488 -15.739 4.855 1.00 0.00 C ATOM 746 OE1 GLN A 49 -8.527 -16.344 4.652 1.00 0.00 O ATOM 747 NE2 GLN A 49 -6.555 -16.130 5.720 1.00 0.00 N ATOM 0 H GLN A 49 -5.491 -12.907 2.991 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.388 -15.647 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.793 -13.806 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.790 -15.544 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.145 -14.116 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.834 -13.652 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.707 -15.576 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.688 -16.984 6.262 1.00 0.00 H new ATOM 756 N ASN A 50 -6.490 -13.624 -0.076 1.00 0.00 N ATOM 757 CA ASN A 50 -6.636 -13.482 -1.514 1.00 0.00 C ATOM 758 C ASN A 50 -5.308 -13.015 -2.113 1.00 0.00 C ATOM 759 O ASN A 50 -4.316 -12.874 -1.400 1.00 0.00 O ATOM 760 CB ASN A 50 -7.703 -12.441 -1.860 1.00 0.00 C ATOM 761 CG ASN A 50 -8.633 -12.193 -0.670 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.892 -13.067 0.141 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.118 -10.957 -0.611 1.00 0.00 N ATOM 0 H ASN A 50 -6.851 -12.841 0.468 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.932 -14.449 -1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.224 -11.507 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.285 -12.782 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.748 -10.692 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.860 -10.274 -1.323 1.00 0.00 H new ATOM 770 N PRO A 51 -5.333 -12.782 -3.454 1.00 0.00 N ATOM 771 CA PRO A 51 -4.143 -12.333 -4.157 1.00 0.00 C ATOM 772 C PRO A 51 -3.860 -10.858 -3.871 1.00 0.00 C ATOM 773 O PRO A 51 -4.785 -10.052 -3.778 1.00 0.00 O ATOM 774 CB PRO A 51 -4.426 -12.610 -5.624 1.00 0.00 C ATOM 775 CG PRO A 51 -5.934 -12.770 -5.735 1.00 0.00 C ATOM 776 CD PRO A 51 -6.490 -12.938 -4.331 1.00 0.00 C ATOM 0 HA PRO A 51 -3.242 -12.853 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.073 -11.791 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.912 -13.512 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.376 -11.899 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.182 -13.635 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.254 -12.191 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.955 -13.916 -4.203 1.00 0.00 H new ATOM 784 N HIS A 52 -2.578 -10.549 -3.739 1.00 0.00 N ATOM 785 CA HIS A 52 -2.162 -9.184 -3.465 1.00 0.00 C ATOM 786 C HIS A 52 -0.966 -8.825 -4.349 1.00 0.00 C ATOM 787 O HIS A 52 -0.107 -9.666 -4.608 1.00 0.00 O ATOM 788 CB HIS A 52 -1.877 -8.991 -1.974 1.00 0.00 C ATOM 789 CG HIS A 52 -1.040 -10.089 -1.362 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.340 -11.432 -1.510 1.00 0.00 N ATOM 791 CD2 HIS A 52 0.090 -10.029 -0.601 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.426 -12.138 -0.862 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.460 -11.267 -0.300 1.00 0.00 N ATOM 0 H HIS A 52 -1.814 -11.220 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.971 -8.497 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.368 -8.038 -1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.824 -8.929 -1.438 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.131 -11.813 -2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.598 -9.126 -0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.389 -13.215 -0.791 1.00 0.00 H new ATOM 802 N HIS A 53 -0.948 -7.575 -4.787 1.00 0.00 N ATOM 803 CA HIS A 53 0.129 -7.095 -5.635 1.00 0.00 C ATOM 804 C HIS A 53 0.601 -5.726 -5.141 1.00 0.00 C ATOM 805 O HIS A 53 1.797 -5.438 -5.147 1.00 0.00 O ATOM 806 CB HIS A 53 -0.303 -7.077 -7.103 1.00 0.00 C ATOM 807 CG HIS A 53 0.847 -7.042 -8.082 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.963 -6.077 -9.067 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.931 -7.860 -8.214 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.069 -6.314 -9.756 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.667 -7.419 -9.227 1.00 0.00 N ATOM 0 H HIS A 53 -1.662 -6.880 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 53 0.977 -7.778 -5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.910 -7.960 -7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.938 -6.208 -7.273 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.153 -8.720 -7.599 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.433 -5.734 -10.591 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.537 -7.838 -9.556 1.00 0.00 H new ATOM 820 N LEU A 54 -0.363 -4.918 -4.724 1.00 0.00 N ATOM 821 CA LEU A 54 -0.060 -3.587 -4.227 1.00 0.00 C ATOM 822 C LEU A 54 -1.026 -3.239 -3.092 1.00 0.00 C ATOM 823 O LEU A 54 -2.237 -3.183 -3.298 1.00 0.00 O ATOM 824 CB LEU A 54 -0.068 -2.573 -5.372 1.00 0.00 C ATOM 825 CG LEU A 54 0.400 -1.160 -5.020 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.705 -0.818 -5.743 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.697 -0.131 -5.302 1.00 0.00 C ATOM 0 H LEU A 54 -1.354 -5.160 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 54 0.947 -3.556 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.565 -2.955 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.081 -2.510 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 54 0.605 -1.126 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.015 0.192 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.480 -1.526 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.550 -0.876 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.337 0.865 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.958 -0.158 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.578 -0.365 -4.705 1.00 0.00 H new ATOM 839 N VAL A 55 -0.453 -3.016 -1.917 1.00 0.00 N ATOM 840 CA VAL A 55 -1.248 -2.677 -0.749 1.00 0.00 C ATOM 841 C VAL A 55 -1.225 -1.161 -0.546 1.00 0.00 C ATOM 842 O VAL A 55 -0.185 -0.525 -0.709 1.00 0.00 O ATOM 843 CB VAL A 55 -0.743 -3.451 0.470 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.118 -2.734 1.768 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.270 -4.887 0.464 1.00 0.00 C ATOM 0 H VAL A 55 0.552 -3.064 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.288 -2.970 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 55 0.345 -3.494 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.747 -3.305 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.672 -1.739 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.202 -2.646 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.896 -5.415 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.360 -4.875 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.930 -5.396 -0.438 1.00 0.00 H new ATOM 855 N ILE A 56 -2.385 -0.626 -0.194 1.00 0.00 N ATOM 856 CA ILE A 56 -2.512 0.804 0.034 1.00 0.00 C ATOM 857 C ILE A 56 -3.395 1.045 1.259 1.00 0.00 C ATOM 858 O ILE A 56 -4.562 0.654 1.274 1.00 0.00 O ATOM 859 CB ILE A 56 -3.009 1.505 -1.232 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.095 0.679 -1.926 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.847 1.831 -2.172 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.496 -0.557 -2.599 1.00 0.00 C ATOM 0 H ILE A 56 -3.246 -1.157 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.539 1.243 0.253 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.462 2.453 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.846 0.373 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.604 1.292 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.229 2.329 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.141 2.488 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.342 0.909 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.288 -1.127 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.763 -0.247 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.009 -1.180 -1.849 1.00 0.00 H new ATOM 874 N SER A 57 -2.806 1.686 2.257 1.00 0.00 N ATOM 875 CA SER A 57 -3.526 1.985 3.483 1.00 0.00 C ATOM 876 C SER A 57 -3.101 3.353 4.020 1.00 0.00 C ATOM 877 O SER A 57 -2.338 4.069 3.372 1.00 0.00 O ATOM 878 CB SER A 57 -3.286 0.904 4.539 1.00 0.00 C ATOM 879 OG SER A 57 -3.519 1.385 5.860 1.00 0.00 O ATOM 0 H SER A 57 -1.838 2.007 2.242 1.00 0.00 H new ATOM 0 HA SER A 57 -4.592 2.006 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.940 0.054 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.261 0.542 4.461 1.00 0.00 H new ATOM 0 HG SER A 57 -4.473 1.309 6.072 1.00 0.00 H new ATOM 885 N ASP A 58 -3.614 3.676 5.198 1.00 0.00 N ATOM 886 CA ASP A 58 -3.299 4.947 5.829 1.00 0.00 C ATOM 887 C ASP A 58 -2.053 4.782 6.702 1.00 0.00 C ATOM 888 O ASP A 58 -1.582 3.665 6.913 1.00 0.00 O ATOM 889 CB ASP A 58 -4.445 5.417 6.724 1.00 0.00 C ATOM 890 CG ASP A 58 -4.805 4.465 7.868 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.116 3.429 7.982 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.762 4.796 8.600 1.00 0.00 O ATOM 0 H ASP A 58 -4.246 3.080 5.732 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.133 5.682 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.181 6.386 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.330 5.569 6.106 1.00 0.00 H new ATOM 897 N PHE A 59 -1.555 5.909 7.187 1.00 0.00 N ATOM 898 CA PHE A 59 -0.374 5.904 8.033 1.00 0.00 C ATOM 899 C PHE A 59 -0.743 5.609 9.488 1.00 0.00 C ATOM 900 O PHE A 59 0.127 5.303 10.302 1.00 0.00 O ATOM 901 CB PHE A 59 0.243 7.302 7.949 1.00 0.00 C ATOM 902 CG PHE A 59 1.624 7.334 7.291 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.582 6.449 7.676 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.893 8.248 6.321 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.863 6.479 7.065 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.175 8.279 5.710 1.00 0.00 C ATOM 907 CZ PHE A 59 4.133 7.393 6.094 1.00 0.00 C ATOM 0 H PHE A 59 -1.948 6.833 7.010 1.00 0.00 H new ATOM 0 HA PHE A 59 0.320 5.133 7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.430 7.952 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.321 7.714 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.368 5.723 8.447 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.132 8.951 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.624 5.776 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.389 9.006 4.941 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.107 7.415 5.628 1.00 0.00 H new ATOM 917 N ASN A 60 -2.034 5.711 9.770 1.00 0.00 N ATOM 918 CA ASN A 60 -2.528 5.458 11.113 1.00 0.00 C ATOM 919 C ASN A 60 -1.819 4.231 11.690 1.00 0.00 C ATOM 920 O ASN A 60 -1.071 3.554 10.988 1.00 0.00 O ATOM 921 CB ASN A 60 -4.032 5.175 11.102 1.00 0.00 C ATOM 922 CG ASN A 60 -4.835 6.472 11.219 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.685 7.243 12.152 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.694 6.667 10.224 1.00 0.00 N ATOM 0 H ASN A 60 -2.752 5.965 9.092 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.332 6.344 11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.302 4.658 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.287 4.510 11.927 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.278 7.503 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.769 5.981 9.473 1.00 0.00 H new ATOM 931 N MET A 61 -2.080 3.983 12.965 1.00 0.00 N ATOM 932 CA MET A 61 -1.477 2.850 13.646 1.00 0.00 C ATOM 933 C MET A 61 -2.514 1.758 13.917 1.00 0.00 C ATOM 934 O MET A 61 -2.856 1.494 15.069 1.00 0.00 O ATOM 935 CB MET A 61 -0.866 3.314 14.970 1.00 0.00 C ATOM 936 CG MET A 61 -1.956 3.684 15.976 1.00 0.00 C ATOM 937 SD MET A 61 -1.460 5.118 16.916 1.00 0.00 S ATOM 938 CE MET A 61 -1.735 6.396 15.700 1.00 0.00 C ATOM 0 H MET A 61 -2.701 4.548 13.545 1.00 0.00 H new ATOM 0 HA MET A 61 -0.700 2.436 13.003 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.239 2.523 15.382 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.220 4.175 14.795 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.891 3.887 15.453 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.142 2.846 16.647 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.787 7.365 16.196 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.914 6.399 14.983 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.672 6.205 15.177 1.00 0.00 H new ATOM 948 N PRO A 62 -2.997 1.136 12.808 1.00 0.00 N ATOM 949 CA PRO A 62 -3.988 0.079 12.915 1.00 0.00 C ATOM 950 C PRO A 62 -3.351 -1.222 13.409 1.00 0.00 C ATOM 951 O PRO A 62 -2.273 -1.203 14.000 1.00 0.00 O ATOM 952 CB PRO A 62 -4.585 -0.043 11.523 1.00 0.00 C ATOM 953 CG PRO A 62 -3.591 0.620 10.584 1.00 0.00 C ATOM 954 CD PRO A 62 -2.615 1.422 11.429 1.00 0.00 C ATOM 0 HA PRO A 62 -4.763 0.302 13.648 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.739 -1.088 11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.558 0.446 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.061 -0.130 9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.108 1.270 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.585 1.124 11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.686 2.488 11.211 1.00 0.00 H new ATOM 962 N LYS A 63 -4.046 -2.320 13.149 1.00 0.00 N ATOM 963 CA LYS A 63 -3.562 -3.626 13.560 1.00 0.00 C ATOM 964 C LYS A 63 -2.226 -3.909 12.873 1.00 0.00 C ATOM 965 O LYS A 63 -1.366 -4.589 13.433 1.00 0.00 O ATOM 966 CB LYS A 63 -4.625 -4.696 13.302 1.00 0.00 C ATOM 967 CG LYS A 63 -5.581 -4.817 14.491 1.00 0.00 C ATOM 968 CD LYS A 63 -5.237 -6.036 15.349 1.00 0.00 C ATOM 969 CE LYS A 63 -3.748 -6.371 15.254 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.276 -6.994 16.512 1.00 0.00 N ATOM 0 H LYS A 63 -4.940 -2.331 12.659 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.378 -3.644 14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.187 -4.446 12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.143 -5.656 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.528 -3.914 15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.607 -4.899 14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.504 -5.841 16.388 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.827 -6.892 15.024 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.574 -7.049 14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.177 -5.464 15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.263 -7.215 16.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.424 -6.335 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.809 -7.870 16.687 1.00 0.00 H new ATOM 984 N MET A 64 -2.090 -3.374 11.668 1.00 0.00 N ATOM 985 CA MET A 64 -0.873 -3.560 10.898 1.00 0.00 C ATOM 986 C MET A 64 -0.610 -2.360 9.987 1.00 0.00 C ATOM 987 O MET A 64 -1.445 -2.014 9.153 1.00 0.00 O ATOM 988 CB MET A 64 -0.994 -4.828 10.050 1.00 0.00 C ATOM 989 CG MET A 64 -1.568 -5.985 10.871 1.00 0.00 C ATOM 990 SD MET A 64 -1.260 -7.535 10.041 1.00 0.00 S ATOM 991 CE MET A 64 0.126 -8.127 10.997 1.00 0.00 C ATOM 0 H MET A 64 -2.804 -2.811 11.206 1.00 0.00 H new ATOM 0 HA MET A 64 -0.038 -3.654 11.592 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.635 -4.635 9.190 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.014 -5.105 9.661 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.115 -5.998 11.862 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.640 -5.845 11.012 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.448 -9.094 10.610 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.948 -7.415 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.171 -8.234 12.040 1.00 0.00 H new ATOM 1001 N ASP A 65 0.554 -1.756 10.178 1.00 0.00 N ATOM 1002 CA ASP A 65 0.937 -0.602 9.384 1.00 0.00 C ATOM 1003 C ASP A 65 2.284 -0.873 8.712 1.00 0.00 C ATOM 1004 O ASP A 65 2.935 -1.877 9.001 1.00 0.00 O ATOM 1005 CB ASP A 65 1.089 0.644 10.260 1.00 0.00 C ATOM 1006 CG ASP A 65 1.030 1.975 9.509 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.187 2.071 8.590 1.00 0.00 O ATOM 1008 OD2 ASP A 65 1.827 2.867 9.870 1.00 0.00 O ATOM 0 H ASP A 65 1.244 -2.045 10.871 1.00 0.00 H new ATOM 0 HA ASP A 65 0.156 -0.430 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.304 0.636 11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.041 0.584 10.788 1.00 0.00 H new ATOM 1013 N GLY A 66 2.664 0.038 7.828 1.00 0.00 N ATOM 1014 CA GLY A 66 3.921 -0.091 7.112 1.00 0.00 C ATOM 1015 C GLY A 66 4.920 -0.937 7.907 1.00 0.00 C ATOM 1016 O GLY A 66 5.648 -1.746 7.333 1.00 0.00 O ATOM 0 H GLY A 66 2.122 0.869 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.744 -0.549 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.342 0.897 6.927 1.00 0.00 H new ATOM 1020 N LEU A 67 4.920 -0.723 9.214 1.00 0.00 N ATOM 1021 CA LEU A 67 5.817 -1.454 10.092 1.00 0.00 C ATOM 1022 C LEU A 67 5.336 -2.902 10.212 1.00 0.00 C ATOM 1023 O LEU A 67 6.033 -3.828 9.801 1.00 0.00 O ATOM 1024 CB LEU A 67 5.952 -0.738 11.437 1.00 0.00 C ATOM 1025 CG LEU A 67 6.476 0.698 11.382 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.882 0.747 10.779 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.501 1.609 10.634 1.00 0.00 C ATOM 0 H LEU A 67 4.313 -0.053 9.686 1.00 0.00 H new ATOM 0 HA LEU A 67 6.822 -1.484 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.975 -0.729 11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.617 -1.323 12.072 1.00 0.00 H new ATOM 0 HG LEU A 67 6.550 1.073 12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.230 1.779 10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.561 0.151 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.858 0.345 9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.897 2.624 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.372 1.245 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.538 1.608 11.144 1.00 0.00 H new ATOM 1039 N GLY A 68 4.147 -3.052 10.778 1.00 0.00 N ATOM 1040 CA GLY A 68 3.564 -4.372 10.959 1.00 0.00 C ATOM 1041 C GLY A 68 3.368 -5.072 9.612 1.00 0.00 C ATOM 1042 O GLY A 68 3.620 -6.269 9.489 1.00 0.00 O ATOM 0 H GLY A 68 3.571 -2.281 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.211 -4.975 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.605 -4.284 11.470 1.00 0.00 H new ATOM 1046 N LEU A 69 2.917 -4.295 8.638 1.00 0.00 N ATOM 1047 CA LEU A 69 2.684 -4.826 7.305 1.00 0.00 C ATOM 1048 C LEU A 69 3.962 -5.493 6.795 1.00 0.00 C ATOM 1049 O LEU A 69 3.925 -6.620 6.305 1.00 0.00 O ATOM 1050 CB LEU A 69 2.149 -3.732 6.379 1.00 0.00 C ATOM 1051 CG LEU A 69 0.711 -3.912 5.888 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.269 -3.945 7.061 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.343 -2.837 4.862 1.00 0.00 C ATOM 0 H LEU A 69 2.707 -3.303 8.745 1.00 0.00 H new ATOM 0 HA LEU A 69 1.912 -5.595 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.217 -2.777 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.803 -3.668 5.510 1.00 0.00 H new ATOM 0 HG LEU A 69 0.640 -4.876 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.284 -4.074 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.019 -4.776 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.204 -3.009 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.684 -2.988 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.435 -1.852 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.015 -2.905 4.007 1.00 0.00 H new ATOM 1065 N LEU A 70 5.064 -4.769 6.928 1.00 0.00 N ATOM 1066 CA LEU A 70 6.352 -5.277 6.487 1.00 0.00 C ATOM 1067 C LEU A 70 6.659 -6.583 7.221 1.00 0.00 C ATOM 1068 O LEU A 70 6.660 -7.654 6.616 1.00 0.00 O ATOM 1069 CB LEU A 70 7.434 -4.208 6.654 1.00 0.00 C ATOM 1070 CG LEU A 70 8.825 -4.577 6.134 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.851 -3.504 6.504 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.245 -5.964 6.626 1.00 0.00 C ATOM 0 H LEU A 70 5.091 -3.834 7.335 1.00 0.00 H new ATOM 0 HA LEU A 70 6.326 -5.509 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.105 -3.303 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.516 -3.964 7.713 1.00 0.00 H new ATOM 0 HG LEU A 70 8.782 -4.621 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.831 -3.791 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.555 -2.551 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.899 -3.405 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.237 -6.201 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.266 -5.972 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.531 -6.707 6.271 1.00 0.00 H new ATOM 1084 N GLN A 71 6.911 -6.452 8.515 1.00 0.00 N ATOM 1085 CA GLN A 71 7.218 -7.609 9.339 1.00 0.00 C ATOM 1086 C GLN A 71 6.271 -8.764 9.006 1.00 0.00 C ATOM 1087 O GLN A 71 6.656 -9.930 9.084 1.00 0.00 O ATOM 1088 CB GLN A 71 7.154 -7.257 10.826 1.00 0.00 C ATOM 1089 CG GLN A 71 7.978 -6.004 11.129 1.00 0.00 C ATOM 1090 CD GLN A 71 8.606 -6.085 12.522 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.295 -7.030 12.867 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.327 -5.043 13.301 1.00 0.00 N ATOM 0 H GLN A 71 6.909 -5.562 9.013 1.00 0.00 H new ATOM 0 HA GLN A 71 8.237 -7.926 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.117 -7.095 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.526 -8.093 11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.761 -5.889 10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.342 -5.121 11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.743 -4.285 12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.697 -5.002 14.251 1.00 0.00 H new ATOM 1101 N ALA A 72 5.049 -8.400 8.645 1.00 0.00 N ATOM 1102 CA ALA A 72 4.044 -9.390 8.301 1.00 0.00 C ATOM 1103 C ALA A 72 4.488 -10.147 7.048 1.00 0.00 C ATOM 1104 O ALA A 72 4.497 -11.377 7.031 1.00 0.00 O ATOM 1105 CB ALA A 72 2.690 -8.701 8.117 1.00 0.00 C ATOM 0 H ALA A 72 4.733 -7.432 8.583 1.00 0.00 H new ATOM 0 HA ALA A 72 3.932 -10.119 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.936 -9.444 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.406 -8.203 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.762 -7.964 7.317 1.00 0.00 H new ATOM 1111 N VAL A 73 4.845 -9.381 6.027 1.00 0.00 N ATOM 1112 CA VAL A 73 5.288 -9.964 4.772 1.00 0.00 C ATOM 1113 C VAL A 73 6.492 -10.872 5.034 1.00 0.00 C ATOM 1114 O VAL A 73 6.509 -12.025 4.606 1.00 0.00 O ATOM 1115 CB VAL A 73 5.583 -8.858 3.757 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.696 -7.636 4.004 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.063 -8.474 3.779 1.00 0.00 C ATOM 0 H VAL A 73 4.836 -8.361 6.044 1.00 0.00 H new ATOM 0 HA VAL A 73 4.502 -10.583 4.339 1.00 0.00 H new ATOM 0 HB VAL A 73 5.352 -9.245 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.926 -6.865 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.648 -7.923 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.881 -7.249 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.245 -7.686 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.331 -8.116 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.669 -9.346 3.531 1.00 0.00 H new ATOM 1127 N ARG A 74 7.469 -10.317 5.735 1.00 0.00 N ATOM 1128 CA ARG A 74 8.673 -11.062 6.060 1.00 0.00 C ATOM 1129 C ARG A 74 8.329 -12.520 6.372 1.00 0.00 C ATOM 1130 O ARG A 74 9.134 -13.418 6.131 1.00 0.00 O ATOM 1131 CB ARG A 74 9.394 -10.448 7.261 1.00 0.00 C ATOM 1132 CG ARG A 74 9.736 -8.978 7.004 1.00 0.00 C ATOM 1133 CD ARG A 74 10.086 -8.747 5.531 1.00 0.00 C ATOM 1134 NE ARG A 74 11.250 -9.577 5.151 1.00 0.00 N ATOM 1135 CZ ARG A 74 12.501 -9.358 5.578 1.00 0.00 C ATOM 1136 NH1 ARG A 74 12.757 -8.334 6.403 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.496 -10.163 5.181 1.00 0.00 N ATOM 0 H ARG A 74 7.452 -9.360 6.087 1.00 0.00 H new ATOM 0 HA ARG A 74 9.332 -11.018 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.765 -10.529 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.307 -11.007 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.890 -8.350 7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.576 -8.681 7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.231 -8.996 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.310 -7.694 5.363 1.00 0.00 H new ATOM 0 HE ARG A 74 11.090 -10.366 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.000 -7.721 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.709 -8.167 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.301 -10.943 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.448 -9.996 5.506 1.00 0.00 H new ATOM 1151 N ALA A 75 7.129 -12.710 6.902 1.00 0.00 N ATOM 1152 CA ALA A 75 6.668 -14.043 7.250 1.00 0.00 C ATOM 1153 C ALA A 75 6.097 -14.721 6.004 1.00 0.00 C ATOM 1154 O ALA A 75 6.457 -15.854 5.688 1.00 0.00 O ATOM 1155 CB ALA A 75 5.645 -13.950 8.384 1.00 0.00 C ATOM 0 H ALA A 75 6.463 -11.963 7.099 1.00 0.00 H new ATOM 0 HA ALA A 75 7.496 -14.654 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.299 -14.950 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.109 -13.488 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.797 -13.346 8.061 1.00 0.00 H new ATOM 1161 N ASN A 76 5.214 -13.999 5.329 1.00 0.00 N ATOM 1162 CA ASN A 76 4.589 -14.517 4.123 1.00 0.00 C ATOM 1163 C ASN A 76 5.274 -13.910 2.897 1.00 0.00 C ATOM 1164 O ASN A 76 5.333 -12.690 2.756 1.00 0.00 O ATOM 1165 CB ASN A 76 3.106 -14.145 4.068 1.00 0.00 C ATOM 1166 CG ASN A 76 2.225 -15.394 4.123 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.514 -16.417 3.525 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.136 -15.255 4.874 1.00 0.00 N ATOM 0 H ASN A 76 4.917 -13.060 5.594 1.00 0.00 H new ATOM 0 HA ASN A 76 4.689 -15.602 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.862 -13.486 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.900 -13.591 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.484 -16.033 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.953 -14.371 5.348 1.00 0.00 H new ATOM 1175 N PRO A 77 5.788 -14.813 2.020 1.00 0.00 N ATOM 1176 CA PRO A 77 6.467 -14.379 0.811 1.00 0.00 C ATOM 1177 C PRO A 77 5.464 -13.883 -0.234 1.00 0.00 C ATOM 1178 O PRO A 77 5.845 -13.232 -1.206 1.00 0.00 O ATOM 1179 CB PRO A 77 7.257 -15.591 0.347 1.00 0.00 C ATOM 1180 CG PRO A 77 6.632 -16.788 1.043 1.00 0.00 C ATOM 1181 CD PRO A 77 5.737 -16.266 2.155 1.00 0.00 C ATOM 0 HA PRO A 77 7.129 -13.530 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.206 -15.699 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.311 -15.494 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.054 -17.382 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.405 -17.440 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.718 -16.638 2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.094 -16.586 3.134 1.00 0.00 H new ATOM 1189 N ALA A 78 4.203 -14.211 0.002 1.00 0.00 N ATOM 1190 CA ALA A 78 3.143 -13.808 -0.906 1.00 0.00 C ATOM 1191 C ALA A 78 3.047 -12.281 -0.925 1.00 0.00 C ATOM 1192 O ALA A 78 2.974 -11.673 -1.992 1.00 0.00 O ATOM 1193 CB ALA A 78 1.828 -14.468 -0.482 1.00 0.00 C ATOM 0 H ALA A 78 3.891 -14.751 0.809 1.00 0.00 H new ATOM 0 HA ALA A 78 3.362 -14.138 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.033 -14.165 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.939 -15.552 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.575 -14.157 0.532 1.00 0.00 H new ATOM 1199 N THR A 79 3.052 -11.703 0.268 1.00 0.00 N ATOM 1200 CA THR A 79 2.967 -10.260 0.402 1.00 0.00 C ATOM 1201 C THR A 79 4.365 -9.639 0.382 1.00 0.00 C ATOM 1202 O THR A 79 4.522 -8.462 0.059 1.00 0.00 O ATOM 1203 CB THR A 79 2.183 -9.948 1.677 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.676 -8.675 2.086 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.551 -10.879 2.834 1.00 0.00 C ATOM 0 H THR A 79 3.114 -12.210 1.151 1.00 0.00 H new ATOM 0 HA THR A 79 2.436 -9.816 -0.440 1.00 0.00 H new ATOM 0 HB THR A 79 1.115 -10.026 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.969 -8.186 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.966 -10.614 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.338 -11.910 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.612 -10.777 3.060 1.00 0.00 H new ATOM 1213 N LYS A 80 5.346 -10.457 0.731 1.00 0.00 N ATOM 1214 CA LYS A 80 6.727 -10.004 0.758 1.00 0.00 C ATOM 1215 C LYS A 80 7.120 -9.502 -0.633 1.00 0.00 C ATOM 1216 O LYS A 80 8.089 -8.756 -0.777 1.00 0.00 O ATOM 1217 CB LYS A 80 7.643 -11.105 1.296 1.00 0.00 C ATOM 1218 CG LYS A 80 8.378 -11.812 0.155 1.00 0.00 C ATOM 1219 CD LYS A 80 9.500 -10.933 -0.402 1.00 0.00 C ATOM 1220 CE LYS A 80 10.824 -11.698 -0.451 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.664 -11.208 -1.566 1.00 0.00 N ATOM 0 H LYS A 80 5.212 -11.432 0.998 1.00 0.00 H new ATOM 0 HA LYS A 80 6.840 -9.165 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.367 -10.675 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.055 -11.830 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.793 -12.754 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.674 -12.056 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.236 -10.592 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.612 -10.044 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.356 -11.578 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.631 -12.764 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.559 -11.738 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.161 -11.345 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.863 -10.196 -1.432 1.00 0.00 H new ATOM 1235 N LYS A 81 6.351 -9.931 -1.622 1.00 0.00 N ATOM 1236 CA LYS A 81 6.607 -9.534 -2.996 1.00 0.00 C ATOM 1237 C LYS A 81 5.643 -8.412 -3.387 1.00 0.00 C ATOM 1238 O LYS A 81 5.736 -7.861 -4.483 1.00 0.00 O ATOM 1239 CB LYS A 81 6.544 -10.749 -3.925 1.00 0.00 C ATOM 1240 CG LYS A 81 5.197 -10.818 -4.647 1.00 0.00 C ATOM 1241 CD LYS A 81 4.835 -12.264 -4.993 1.00 0.00 C ATOM 1242 CE LYS A 81 3.343 -12.522 -4.775 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.640 -12.631 -6.073 1.00 0.00 N ATOM 0 H LYS A 81 5.550 -10.550 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 81 7.617 -9.136 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.350 -10.694 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.699 -11.661 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.420 -10.385 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.238 -10.221 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.095 -12.470 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.420 -12.947 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.207 -13.440 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.910 -11.713 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.628 -12.806 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.755 -11.745 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.042 -13.419 -6.620 1.00 0.00 H new ATOM 1257 N ALA A 82 4.739 -8.105 -2.468 1.00 0.00 N ATOM 1258 CA ALA A 82 3.758 -7.058 -2.702 1.00 0.00 C ATOM 1259 C ALA A 82 4.236 -5.762 -2.043 1.00 0.00 C ATOM 1260 O ALA A 82 4.909 -5.797 -1.014 1.00 0.00 O ATOM 1261 CB ALA A 82 2.393 -7.511 -2.180 1.00 0.00 C ATOM 0 H ALA A 82 4.665 -8.563 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 82 3.649 -6.864 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.658 -6.726 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.087 -8.418 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.461 -7.712 -1.111 1.00 0.00 H new ATOM 1267 N ALA A 83 3.868 -4.651 -2.663 1.00 0.00 N ATOM 1268 CA ALA A 83 4.250 -3.347 -2.149 1.00 0.00 C ATOM 1269 C ALA A 83 3.151 -2.826 -1.221 1.00 0.00 C ATOM 1270 O ALA A 83 2.084 -3.431 -1.117 1.00 0.00 O ATOM 1271 CB ALA A 83 4.523 -2.398 -3.317 1.00 0.00 C ATOM 0 H ALA A 83 3.310 -4.627 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 83 5.168 -3.419 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.810 -1.420 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.331 -2.798 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.623 -2.299 -3.924 1.00 0.00 H new ATOM 1277 N PHE A 84 3.448 -1.712 -0.571 1.00 0.00 N ATOM 1278 CA PHE A 84 2.497 -1.103 0.345 1.00 0.00 C ATOM 1279 C PHE A 84 2.639 0.420 0.350 1.00 0.00 C ATOM 1280 O PHE A 84 3.752 0.943 0.355 1.00 0.00 O ATOM 1281 CB PHE A 84 2.817 -1.638 1.742 1.00 0.00 C ATOM 1282 CG PHE A 84 3.711 -2.880 1.744 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.173 -4.105 1.503 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.043 -2.758 1.986 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.003 -5.258 1.503 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.873 -3.910 1.987 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.336 -5.135 1.746 1.00 0.00 C ATOM 0 H PHE A 84 4.334 -1.214 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 84 1.479 -1.345 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.304 -0.851 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.883 -1.875 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.115 -4.202 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.470 -1.785 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.576 -6.231 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.931 -3.813 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.968 -6.011 1.747 1.00 0.00 H new ATOM 1297 N ILE A 85 1.495 1.089 0.350 1.00 0.00 N ATOM 1298 CA ILE A 85 1.478 2.542 0.354 1.00 0.00 C ATOM 1299 C ILE A 85 0.984 3.038 1.716 1.00 0.00 C ATOM 1300 O ILE A 85 -0.030 2.561 2.223 1.00 0.00 O ATOM 1301 CB ILE A 85 0.661 3.072 -0.826 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.032 2.344 -2.120 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.809 4.589 -0.958 1.00 0.00 C ATOM 1304 CD1 ILE A 85 2.434 2.739 -2.587 1.00 0.00 C ATOM 0 H ILE A 85 0.574 0.652 0.347 1.00 0.00 H new ATOM 0 HA ILE A 85 2.485 2.935 0.216 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.392 2.868 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.988 1.267 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.305 2.582 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.218 4.940 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.457 5.070 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.858 4.840 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.674 2.208 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.468 3.813 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.161 2.478 -1.818 1.00 0.00 H new ATOM 1316 N ILE A 86 1.724 3.988 2.268 1.00 0.00 N ATOM 1317 CA ILE A 86 1.374 4.553 3.559 1.00 0.00 C ATOM 1318 C ILE A 86 1.296 6.076 3.440 1.00 0.00 C ATOM 1319 O ILE A 86 2.320 6.745 3.309 1.00 0.00 O ATOM 1320 CB ILE A 86 2.346 4.069 4.637 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.696 2.593 4.438 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.794 4.345 6.037 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.491 1.699 4.744 1.00 0.00 C ATOM 0 H ILE A 86 2.565 4.381 1.844 1.00 0.00 H new ATOM 0 HA ILE A 86 0.389 4.207 3.872 1.00 0.00 H new ATOM 0 HB ILE A 86 3.273 4.634 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.025 2.428 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.529 2.322 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.504 3.991 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.639 5.417 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.845 3.824 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.766 0.655 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.180 1.849 5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.668 1.956 4.077 1.00 0.00 H new ATOM 1335 N LEU A 87 0.072 6.581 3.492 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.153 8.013 3.392 1.00 0.00 C ATOM 1337 C LEU A 87 -0.813 8.512 4.678 1.00 0.00 C ATOM 1338 O LEU A 87 -1.348 7.721 5.453 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.946 8.343 2.125 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.460 8.471 2.297 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -3.057 7.186 2.875 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.816 9.697 3.140 1.00 0.00 C ATOM 0 H LEU A 87 -0.775 6.023 3.602 1.00 0.00 H new ATOM 0 HA LEU A 87 0.795 8.542 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.566 9.279 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.749 7.568 1.384 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.903 8.618 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.135 7.304 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.851 6.354 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.611 6.983 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.899 9.764 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.360 9.606 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.444 10.596 2.650 1.00 0.00 H new ATOM 1354 N THR A 88 -0.752 9.822 4.866 1.00 0.00 N ATOM 1355 CA THR A 88 -1.337 10.437 6.045 1.00 0.00 C ATOM 1356 C THR A 88 -2.008 11.763 5.679 1.00 0.00 C ATOM 1357 O THR A 88 -1.905 12.221 4.543 1.00 0.00 O ATOM 1358 CB THR A 88 -0.236 10.584 7.098 1.00 0.00 C ATOM 1359 OG1 THR A 88 -0.768 11.524 8.027 1.00 0.00 O ATOM 1360 CG2 THR A 88 1.014 11.271 6.544 1.00 0.00 C ATOM 0 H THR A 88 -0.306 10.475 4.221 1.00 0.00 H new ATOM 0 HA THR A 88 -2.127 9.814 6.464 1.00 0.00 H new ATOM 0 HB THR A 88 0.032 9.601 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.119 11.677 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.764 11.351 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.416 10.684 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.754 12.268 6.188 1.00 0.00 H new ATOM 1368 N ALA A 89 -2.681 12.341 6.664 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.368 13.603 6.459 1.00 0.00 C ATOM 1370 C ALA A 89 -2.348 14.679 6.078 1.00 0.00 C ATOM 1371 O ALA A 89 -2.719 15.753 5.608 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.155 13.966 7.720 1.00 0.00 C ATOM 0 H ALA A 89 -2.764 11.958 7.606 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.083 13.522 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.671 14.914 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.886 13.185 7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.470 14.058 8.563 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.082 14.353 6.297 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.007 15.277 5.983 1.00 0.00 C ATOM 1380 C GLN A 90 0.996 14.621 5.033 1.00 0.00 C ATOM 1381 O GLN A 90 0.864 14.729 3.814 1.00 0.00 O ATOM 1382 CB GLN A 90 0.685 15.766 7.257 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.215 16.730 8.033 1.00 0.00 C ATOM 1384 CD GLN A 90 0.552 17.991 8.437 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.491 17.955 9.215 1.00 0.00 O ATOM 1386 NE2 GLN A 90 0.101 19.104 7.867 1.00 0.00 N ATOM 0 H GLN A 90 -0.778 13.462 6.688 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.436 16.146 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.940 14.914 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.620 16.263 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.074 17.003 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.602 16.235 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.690 19.063 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.546 19.999 8.072 1.00 0.00 H new ATOM 1395 N GLY A 91 1.977 13.956 5.624 1.00 0.00 N ATOM 1396 CA GLY A 91 3.002 13.282 4.845 1.00 0.00 C ATOM 1397 C GLY A 91 4.221 12.955 5.710 1.00 0.00 C ATOM 1398 O GLY A 91 4.695 13.800 6.466 1.00 0.00 O ATOM 0 H GLY A 91 2.084 13.869 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.596 12.364 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.303 13.914 4.010 1.00 0.00 H new ATOM 1402 N ASP A 92 4.693 11.724 5.569 1.00 0.00 N ATOM 1403 CA ASP A 92 5.848 11.274 6.327 1.00 0.00 C ATOM 1404 C ASP A 92 6.720 10.385 5.440 1.00 0.00 C ATOM 1405 O ASP A 92 6.669 9.159 5.542 1.00 0.00 O ATOM 1406 CB ASP A 92 5.420 10.453 7.546 1.00 0.00 C ATOM 1407 CG ASP A 92 4.430 11.151 8.481 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.499 11.790 7.946 1.00 0.00 O ATOM 1409 OD2 ASP A 92 4.627 11.028 9.709 1.00 0.00 O ATOM 0 H ASP A 92 4.296 11.025 4.941 1.00 0.00 H new ATOM 0 HA ASP A 92 6.397 12.155 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.974 9.521 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.310 10.187 8.117 1.00 0.00 H new ATOM 1414 N ARG A 93 7.501 11.035 4.589 1.00 0.00 N ATOM 1415 CA ARG A 93 8.383 10.318 3.684 1.00 0.00 C ATOM 1416 C ARG A 93 9.393 9.487 4.477 1.00 0.00 C ATOM 1417 O ARG A 93 9.726 8.369 4.085 1.00 0.00 O ATOM 1418 CB ARG A 93 9.135 11.285 2.768 1.00 0.00 C ATOM 1419 CG ARG A 93 8.434 11.414 1.414 1.00 0.00 C ATOM 1420 CD ARG A 93 8.331 12.880 0.988 1.00 0.00 C ATOM 1421 NE ARG A 93 7.613 13.659 2.022 1.00 0.00 N ATOM 1422 CZ ARG A 93 7.714 14.987 2.167 1.00 0.00 C ATOM 1423 NH1 ARG A 93 8.504 15.693 1.348 1.00 0.00 N ATOM 1424 NH2 ARG A 93 7.025 15.610 3.134 1.00 0.00 N ATOM 0 H ARG A 93 7.541 12.051 4.507 1.00 0.00 H new ATOM 0 HA ARG A 93 7.767 9.660 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.201 12.264 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.156 10.933 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.984 10.850 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.437 10.978 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.328 13.294 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.806 12.954 0.035 1.00 0.00 H new ATOM 0 HE ARG A 93 7.003 13.153 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.029 15.220 0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.580 16.704 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.424 15.073 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.102 16.621 3.245 1.00 0.00 H new ATOM 1438 N ALA A 94 9.854 10.064 5.577 1.00 0.00 N ATOM 1439 CA ALA A 94 10.820 9.390 6.428 1.00 0.00 C ATOM 1440 C ALA A 94 10.194 8.113 6.991 1.00 0.00 C ATOM 1441 O ALA A 94 10.879 7.108 7.169 1.00 0.00 O ATOM 1442 CB ALA A 94 11.286 10.346 7.528 1.00 0.00 C ATOM 0 H ALA A 94 9.576 10.991 5.899 1.00 0.00 H new ATOM 0 HA ALA A 94 11.700 9.100 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.011 9.841 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.750 11.223 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.430 10.657 8.127 1.00 0.00 H new ATOM 1448 N LEU A 95 8.898 8.194 7.256 1.00 0.00 N ATOM 1449 CA LEU A 95 8.172 7.057 7.794 1.00 0.00 C ATOM 1450 C LEU A 95 8.110 5.950 6.741 1.00 0.00 C ATOM 1451 O LEU A 95 8.399 4.791 7.034 1.00 0.00 O ATOM 1452 CB LEU A 95 6.799 7.494 8.309 1.00 0.00 C ATOM 1453 CG LEU A 95 6.754 8.009 9.749 1.00 0.00 C ATOM 1454 CD1 LEU A 95 7.150 6.908 10.737 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.616 9.261 9.911 1.00 0.00 C ATOM 0 H LEU A 95 8.332 9.030 7.108 1.00 0.00 H new ATOM 0 HA LEU A 95 8.695 6.645 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.419 8.277 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.116 6.649 8.225 1.00 0.00 H new ATOM 0 HG LEU A 95 5.727 8.294 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.110 7.300 11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.459 6.070 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.163 6.570 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.566 9.606 10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.650 9.027 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.248 10.044 9.249 1.00 0.00 H new ATOM 1467 N VAL A 96 7.731 6.346 5.534 1.00 0.00 N ATOM 1468 CA VAL A 96 7.628 5.401 4.435 1.00 0.00 C ATOM 1469 C VAL A 96 9.008 4.807 4.147 1.00 0.00 C ATOM 1470 O VAL A 96 9.203 3.598 4.262 1.00 0.00 O ATOM 1471 CB VAL A 96 7.005 6.085 3.215 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.658 5.597 1.921 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.491 5.870 3.180 1.00 0.00 C ATOM 0 H VAL A 96 7.492 7.308 5.293 1.00 0.00 H new ATOM 0 HA VAL A 96 6.968 4.575 4.702 1.00 0.00 H new ATOM 0 HB VAL A 96 7.189 7.156 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.197 6.098 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.724 5.825 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.519 4.520 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.073 6.366 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.276 4.803 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.043 6.288 4.082 1.00 0.00 H new ATOM 1483 N GLN A 97 9.930 5.684 3.780 1.00 0.00 N ATOM 1484 CA GLN A 97 11.286 5.262 3.475 1.00 0.00 C ATOM 1485 C GLN A 97 11.822 4.357 4.587 1.00 0.00 C ATOM 1486 O GLN A 97 12.650 3.484 4.335 1.00 0.00 O ATOM 1487 CB GLN A 97 12.202 6.469 3.261 1.00 0.00 C ATOM 1488 CG GLN A 97 11.790 7.256 2.015 1.00 0.00 C ATOM 1489 CD GLN A 97 12.978 7.446 1.069 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.381 8.553 0.753 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.511 6.307 0.636 1.00 0.00 N ATOM 0 H GLN A 97 9.764 6.686 3.687 1.00 0.00 H new ATOM 0 HA GLN A 97 11.268 4.693 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.163 7.119 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.234 6.133 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.988 6.730 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.395 8.229 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.123 5.414 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.307 6.326 -0.001 1.00 0.00 H new ATOM 1500 N LYS A 98 11.329 4.598 5.792 1.00 0.00 N ATOM 1501 CA LYS A 98 11.748 3.817 6.943 1.00 0.00 C ATOM 1502 C LYS A 98 11.249 2.379 6.786 1.00 0.00 C ATOM 1503 O LYS A 98 12.030 1.433 6.884 1.00 0.00 O ATOM 1504 CB LYS A 98 11.293 4.488 8.241 1.00 0.00 C ATOM 1505 CG LYS A 98 12.431 5.293 8.870 1.00 0.00 C ATOM 1506 CD LYS A 98 11.907 6.590 9.490 1.00 0.00 C ATOM 1507 CE LYS A 98 12.416 6.758 10.923 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.240 7.983 11.040 1.00 0.00 N ATOM 0 H LYS A 98 10.642 5.324 5.997 1.00 0.00 H new ATOM 0 HA LYS A 98 12.836 3.774 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.447 5.145 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.947 3.731 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.926 4.694 9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.180 5.524 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.224 7.440 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.817 6.585 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.572 6.813 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.005 5.887 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.578 8.082 12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.055 7.916 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.667 8.813 10.786 1.00 0.00 H new ATOM 1522 N ALA A 99 9.952 2.259 6.545 1.00 0.00 N ATOM 1523 CA ALA A 99 9.340 0.953 6.374 1.00 0.00 C ATOM 1524 C ALA A 99 10.131 0.156 5.334 1.00 0.00 C ATOM 1525 O ALA A 99 10.598 -0.946 5.615 1.00 0.00 O ATOM 1526 CB ALA A 99 7.871 1.124 5.983 1.00 0.00 C ATOM 0 H ALA A 99 9.308 3.046 6.464 1.00 0.00 H new ATOM 0 HA ALA A 99 9.365 0.392 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.412 0.144 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.347 1.670 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.806 1.680 5.048 1.00 0.00 H new ATOM 1532 N ALA A 100 10.257 0.746 4.154 1.00 0.00 N ATOM 1533 CA ALA A 100 10.983 0.106 3.071 1.00 0.00 C ATOM 1534 C ALA A 100 12.403 -0.222 3.538 1.00 0.00 C ATOM 1535 O ALA A 100 12.969 -1.242 3.148 1.00 0.00 O ATOM 1536 CB ALA A 100 10.970 1.014 1.840 1.00 0.00 C ATOM 0 H ALA A 100 9.868 1.661 3.925 1.00 0.00 H new ATOM 0 HA ALA A 100 10.503 -0.831 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.515 0.533 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.940 1.193 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.446 1.964 2.084 1.00 0.00 H new ATOM 1542 N ALA A 101 12.938 0.663 4.366 1.00 0.00 N ATOM 1543 CA ALA A 101 14.281 0.481 4.891 1.00 0.00 C ATOM 1544 C ALA A 101 14.302 -0.740 5.813 1.00 0.00 C ATOM 1545 O ALA A 101 15.121 -1.641 5.635 1.00 0.00 O ATOM 1546 CB ALA A 101 14.728 1.759 5.605 1.00 0.00 C ATOM 0 H ALA A 101 12.466 1.508 4.686 1.00 0.00 H new ATOM 0 HA ALA A 101 14.988 0.296 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.735 1.623 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.724 2.590 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.044 1.976 6.426 1.00 0.00 H new ATOM 1552 N LEU A 102 13.394 -0.730 6.776 1.00 0.00 N ATOM 1553 CA LEU A 102 13.298 -1.826 7.726 1.00 0.00 C ATOM 1554 C LEU A 102 13.528 -3.150 6.995 1.00 0.00 C ATOM 1555 O LEU A 102 14.423 -3.914 7.355 1.00 0.00 O ATOM 1556 CB LEU A 102 11.970 -1.764 8.484 1.00 0.00 C ATOM 1557 CG LEU A 102 11.406 -0.364 8.734 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.217 -0.417 9.697 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.498 0.589 9.225 1.00 0.00 C ATOM 0 H LEU A 102 12.717 0.020 6.920 1.00 0.00 H new ATOM 0 HA LEU A 102 14.075 -1.741 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.229 -2.339 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.100 -2.259 9.446 1.00 0.00 H new ATOM 0 HG LEU A 102 11.038 0.030 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.834 0.591 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.431 -1.040 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.538 -0.840 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.070 1.577 9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.919 0.211 10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.285 0.659 8.474 1.00 0.00 H new ATOM 1571 N GLY A 103 12.705 -3.380 5.983 1.00 0.00 N ATOM 1572 CA GLY A 103 12.808 -4.601 5.199 1.00 0.00 C ATOM 1573 C GLY A 103 11.532 -4.839 4.388 1.00 0.00 C ATOM 1574 O GLY A 103 11.035 -5.963 4.322 1.00 0.00 O ATOM 0 H GLY A 103 11.965 -2.744 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.664 -4.535 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.987 -5.449 5.861 1.00 0.00 H new ATOM 1578 N ALA A 104 11.039 -3.764 3.791 1.00 0.00 N ATOM 1579 CA ALA A 104 9.830 -3.843 2.988 1.00 0.00 C ATOM 1580 C ALA A 104 10.212 -4.007 1.515 1.00 0.00 C ATOM 1581 O ALA A 104 11.300 -3.606 1.104 1.00 0.00 O ATOM 1582 CB ALA A 104 8.972 -2.601 3.232 1.00 0.00 C ATOM 0 H ALA A 104 11.454 -2.834 3.847 1.00 0.00 H new ATOM 0 HA ALA A 104 9.236 -4.711 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.066 -2.661 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.704 -2.546 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.534 -1.710 2.954 1.00 0.00 H new ATOM 1588 N ASN A 105 9.296 -4.595 0.760 1.00 0.00 N ATOM 1589 CA ASN A 105 9.523 -4.816 -0.657 1.00 0.00 C ATOM 1590 C ASN A 105 9.463 -3.477 -1.394 1.00 0.00 C ATOM 1591 O ASN A 105 10.365 -3.146 -2.162 1.00 0.00 O ATOM 1592 CB ASN A 105 8.451 -5.732 -1.251 1.00 0.00 C ATOM 1593 CG ASN A 105 8.889 -6.279 -2.611 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.524 -5.773 -3.660 1.00 0.00 O ATOM 1595 ND2 ASN A 105 9.687 -7.340 -2.535 1.00 0.00 N ATOM 0 H ASN A 105 8.394 -4.925 1.104 1.00 0.00 H new ATOM 0 HA ASN A 105 10.501 -5.284 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.255 -6.559 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.517 -5.181 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.032 -7.781 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.954 -7.713 -1.624 1.00 0.00 H new ATOM 1602 N ASN A 106 8.391 -2.743 -1.134 1.00 0.00 N ATOM 1603 CA ASN A 106 8.202 -1.447 -1.763 1.00 0.00 C ATOM 1604 C ASN A 106 7.087 -0.690 -1.036 1.00 0.00 C ATOM 1605 O ASN A 106 5.935 -1.119 -1.043 1.00 0.00 O ATOM 1606 CB ASN A 106 7.792 -1.600 -3.229 1.00 0.00 C ATOM 1607 CG ASN A 106 8.894 -1.096 -4.162 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.633 0.083 -4.720 1.00 0.00 O flip ATOM 1609 ND2 ASN A 106 9.914 -1.736 -4.362 1.00 0.00 N flip ATOM 0 H ASN A 106 7.645 -3.021 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 106 9.146 -0.905 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.580 -2.647 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.872 -1.044 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.051 -2.635 -3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.630 -1.371 -4.991 1.00 0.00 H new ATOM 1616 N VAL A 107 7.470 0.423 -0.428 1.00 0.00 N ATOM 1617 CA VAL A 107 6.518 1.243 0.302 1.00 0.00 C ATOM 1618 C VAL A 107 6.653 2.698 -0.151 1.00 0.00 C ATOM 1619 O VAL A 107 7.750 3.253 -0.149 1.00 0.00 O ATOM 1620 CB VAL A 107 6.719 1.064 1.807 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.154 1.406 2.214 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.710 1.900 2.598 1.00 0.00 C ATOM 0 H VAL A 107 8.427 0.776 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 107 5.497 0.928 0.085 1.00 0.00 H new ATOM 0 HB VAL A 107 6.545 0.015 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.269 1.270 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.847 0.749 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.369 2.443 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.875 1.755 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.838 2.954 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.698 1.588 2.341 1.00 0.00 H new ATOM 1632 N LEU A 108 5.521 3.274 -0.528 1.00 0.00 N ATOM 1633 CA LEU A 108 5.499 4.654 -0.983 1.00 0.00 C ATOM 1634 C LEU A 108 4.544 5.461 -0.100 1.00 0.00 C ATOM 1635 O LEU A 108 3.571 4.921 0.424 1.00 0.00 O ATOM 1636 CB LEU A 108 5.164 4.723 -2.474 1.00 0.00 C ATOM 1637 CG LEU A 108 6.305 4.378 -3.433 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.612 5.038 -2.990 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.452 2.863 -3.589 1.00 0.00 C ATOM 0 H LEU A 108 4.612 2.810 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 108 6.487 5.104 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.333 4.046 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.816 5.730 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 108 6.058 4.780 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.407 4.777 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.485 6.120 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.876 4.688 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.270 2.646 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.665 2.416 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.526 2.446 -3.985 1.00 0.00 H new ATOM 1651 N ALA A 109 4.855 6.742 0.037 1.00 0.00 N ATOM 1652 CA ALA A 109 4.037 7.629 0.846 1.00 0.00 C ATOM 1653 C ALA A 109 3.314 8.623 -0.066 1.00 0.00 C ATOM 1654 O ALA A 109 3.594 8.690 -1.262 1.00 0.00 O ATOM 1655 CB ALA A 109 4.915 8.325 1.886 1.00 0.00 C ATOM 0 H ALA A 109 5.663 7.187 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 109 3.277 7.064 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.302 8.991 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.382 7.577 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.688 8.904 1.381 1.00 0.00 H new ATOM 1661 N LYS A 110 2.398 9.368 0.534 1.00 0.00 N ATOM 1662 CA LYS A 110 1.633 10.355 -0.210 1.00 0.00 C ATOM 1663 C LYS A 110 1.685 11.696 0.527 1.00 0.00 C ATOM 1664 O LYS A 110 0.682 12.144 1.078 1.00 0.00 O ATOM 1665 CB LYS A 110 0.212 9.849 -0.467 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.148 9.953 -1.950 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.652 10.162 -2.135 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.973 11.635 -2.395 1.00 0.00 C ATOM 1669 NZ LYS A 110 -3.253 11.766 -3.128 1.00 0.00 N ATOM 0 H LYS A 110 2.168 9.309 1.526 1.00 0.00 H new ATOM 0 HA LYS A 110 2.073 10.515 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.127 8.813 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.497 10.429 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.396 10.782 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.163 9.046 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.007 9.556 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.182 9.822 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.033 12.173 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.169 12.092 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.455 12.772 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.183 11.270 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.020 11.348 -2.564 1.00 0.00 H new ATOM 1683 N PRO A 111 2.897 12.313 0.511 1.00 0.00 N ATOM 1684 CA PRO A 111 3.094 13.593 1.171 1.00 0.00 C ATOM 1685 C PRO A 111 2.465 14.729 0.361 1.00 0.00 C ATOM 1686 O PRO A 111 1.605 14.491 -0.486 1.00 0.00 O ATOM 1687 CB PRO A 111 4.600 13.732 1.319 1.00 0.00 C ATOM 1688 CG PRO A 111 5.208 12.752 0.329 1.00 0.00 C ATOM 1689 CD PRO A 111 4.107 11.811 -0.133 1.00 0.00 C ATOM 0 HA PRO A 111 2.606 13.644 2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.921 14.752 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.915 13.505 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.636 13.284 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 111 6.018 12.192 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.010 11.818 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.315 10.783 0.162 1.00 0.00 H new ATOM 1697 N PHE A 112 2.919 15.939 0.651 1.00 0.00 N ATOM 1698 CA PHE A 112 2.412 17.113 -0.041 1.00 0.00 C ATOM 1699 C PHE A 112 3.329 17.505 -1.201 1.00 0.00 C ATOM 1700 O PHE A 112 3.317 18.651 -1.646 1.00 0.00 O ATOM 1701 CB PHE A 112 2.383 18.254 0.979 1.00 0.00 C ATOM 1702 CG PHE A 112 1.018 18.463 1.640 1.00 0.00 C ATOM 1703 CD1 PHE A 112 0.398 17.425 2.263 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.425 19.687 1.604 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -0.868 17.619 2.876 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.841 19.880 2.217 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.460 18.843 2.840 1.00 0.00 C ATOM 0 H PHE A 112 3.632 16.133 1.355 1.00 0.00 H new ATOM 0 HA PHE A 112 1.423 16.906 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.124 18.054 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.681 19.178 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.869 16.453 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.917 20.511 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.361 16.795 3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.312 20.851 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.423 18.991 3.307 1.00 0.00 H new ATOM 1717 N THR A 113 4.103 16.531 -1.657 1.00 0.00 N ATOM 1718 CA THR A 113 5.024 16.760 -2.757 1.00 0.00 C ATOM 1719 C THR A 113 4.806 15.723 -3.859 1.00 0.00 C ATOM 1720 O THR A 113 5.292 14.598 -3.763 1.00 0.00 O ATOM 1721 CB THR A 113 6.446 16.756 -2.191 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.247 16.281 -3.269 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.636 15.707 -1.095 1.00 0.00 C ATOM 0 H THR A 113 4.111 15.581 -1.285 1.00 0.00 H new ATOM 0 HA THR A 113 4.848 17.728 -3.226 1.00 0.00 H new ATOM 0 HB THR A 113 6.681 17.743 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.186 16.248 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.662 15.746 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.949 15.910 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.434 14.716 -1.501 1.00 0.00 H new ATOM 1731 N ILE A 114 4.075 16.139 -4.884 1.00 0.00 N ATOM 1732 CA ILE A 114 3.787 15.260 -6.004 1.00 0.00 C ATOM 1733 C ILE A 114 5.090 14.632 -6.501 1.00 0.00 C ATOM 1734 O ILE A 114 5.083 13.528 -7.045 1.00 0.00 O ATOM 1735 CB ILE A 114 3.014 16.011 -7.089 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.865 17.129 -7.696 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.681 16.536 -6.549 1.00 0.00 C ATOM 1738 CD1 ILE A 114 4.233 16.810 -9.147 1.00 0.00 C ATOM 0 H ILE A 114 3.674 17.074 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 114 3.138 14.443 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 114 2.784 15.309 -7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.318 18.071 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.773 17.261 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.151 17.066 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.074 15.700 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.868 17.217 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.838 17.620 -9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.800 15.880 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 114 3.323 16.703 -9.738 1.00 0.00 H new ATOM 1750 N GLU A 115 6.178 15.362 -6.298 1.00 0.00 N ATOM 1751 CA GLU A 115 7.486 14.888 -6.719 1.00 0.00 C ATOM 1752 C GLU A 115 7.858 13.613 -5.962 1.00 0.00 C ATOM 1753 O GLU A 115 8.414 12.682 -6.543 1.00 0.00 O ATOM 1754 CB GLU A 115 8.548 15.972 -6.526 1.00 0.00 C ATOM 1755 CG GLU A 115 9.165 16.381 -7.864 1.00 0.00 C ATOM 1756 CD GLU A 115 9.884 17.727 -7.748 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.441 17.980 -6.659 1.00 0.00 O ATOM 1758 OE2 GLU A 115 9.860 18.471 -8.752 1.00 0.00 O ATOM 0 H GLU A 115 6.180 16.277 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 115 7.442 14.654 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.101 16.843 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.328 15.607 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.868 15.616 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.386 16.445 -8.623 1.00 0.00 H new ATOM 1765 N LYS A 116 7.537 13.611 -4.677 1.00 0.00 N ATOM 1766 CA LYS A 116 7.832 12.464 -3.833 1.00 0.00 C ATOM 1767 C LYS A 116 6.846 11.337 -4.152 1.00 0.00 C ATOM 1768 O LYS A 116 7.254 10.240 -4.532 1.00 0.00 O ATOM 1769 CB LYS A 116 7.845 12.872 -2.359 1.00 0.00 C ATOM 1770 CG LYS A 116 9.245 13.307 -1.923 1.00 0.00 C ATOM 1771 CD LYS A 116 10.118 12.095 -1.593 1.00 0.00 C ATOM 1772 CE LYS A 116 11.453 12.162 -2.337 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.407 11.177 -1.779 1.00 0.00 N ATOM 0 H LYS A 116 7.076 14.385 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 116 8.832 12.083 -4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.140 13.688 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.512 12.036 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.712 13.891 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.173 13.956 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.298 12.054 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.592 11.179 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.296 11.964 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.870 13.166 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.308 11.235 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.570 11.383 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.014 10.219 -1.876 1.00 0.00 H new ATOM 1787 N MET A 117 5.569 11.645 -3.983 1.00 0.00 N ATOM 1788 CA MET A 117 4.523 10.672 -4.247 1.00 0.00 C ATOM 1789 C MET A 117 4.632 10.123 -5.670 1.00 0.00 C ATOM 1790 O MET A 117 4.710 8.911 -5.868 1.00 0.00 O ATOM 1791 CB MET A 117 3.154 11.329 -4.056 1.00 0.00 C ATOM 1792 CG MET A 117 2.025 10.340 -4.353 1.00 0.00 C ATOM 1793 SD MET A 117 0.587 11.216 -4.943 1.00 0.00 S ATOM 1794 CE MET A 117 0.236 10.275 -6.419 1.00 0.00 C ATOM 0 H MET A 117 5.235 12.555 -3.666 1.00 0.00 H new ATOM 0 HA MET A 117 4.639 9.843 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 117 3.062 11.695 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.067 12.194 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.352 9.616 -5.099 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.775 9.779 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.641 10.691 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 117 1.091 10.323 -7.093 1.00 0.00 H new ATOM 0 HE3 MET A 117 0.043 9.236 -6.151 1.00 0.00 H new ATOM 1804 N LYS A 118 4.633 11.041 -6.626 1.00 0.00 N ATOM 1805 CA LYS A 118 4.731 10.663 -8.026 1.00 0.00 C ATOM 1806 C LYS A 118 5.983 9.808 -8.233 1.00 0.00 C ATOM 1807 O LYS A 118 5.893 8.671 -8.694 1.00 0.00 O ATOM 1808 CB LYS A 118 4.678 11.903 -8.920 1.00 0.00 C ATOM 1809 CG LYS A 118 4.402 11.519 -10.376 1.00 0.00 C ATOM 1810 CD LYS A 118 5.503 12.041 -11.299 1.00 0.00 C ATOM 1811 CE LYS A 118 5.152 11.789 -12.768 1.00 0.00 C ATOM 1812 NZ LYS A 118 6.241 12.267 -13.650 1.00 0.00 N ATOM 0 H LYS A 118 4.568 12.045 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 118 3.876 10.052 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.900 12.579 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.623 12.443 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.334 10.435 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.439 11.925 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.646 13.109 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.447 11.552 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.985 10.724 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.222 12.300 -13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.987 12.089 -14.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.381 13.287 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.120 11.761 -13.421 1.00 0.00 H new ATOM 1826 N ALA A 119 7.122 10.388 -7.882 1.00 0.00 N ATOM 1827 CA ALA A 119 8.390 9.694 -8.023 1.00 0.00 C ATOM 1828 C ALA A 119 8.326 8.365 -7.268 1.00 0.00 C ATOM 1829 O ALA A 119 8.875 7.362 -7.722 1.00 0.00 O ATOM 1830 CB ALA A 119 9.523 10.594 -7.527 1.00 0.00 C ATOM 0 H ALA A 119 7.192 11.331 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 119 8.589 9.468 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.474 10.073 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.544 11.511 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.359 10.840 -6.478 1.00 0.00 H new ATOM 1836 N ALA A 120 7.652 8.402 -6.127 1.00 0.00 N ATOM 1837 CA ALA A 120 7.510 7.212 -5.304 1.00 0.00 C ATOM 1838 C ALA A 120 6.838 6.108 -6.123 1.00 0.00 C ATOM 1839 O ALA A 120 7.387 5.017 -6.268 1.00 0.00 O ATOM 1840 CB ALA A 120 6.724 7.560 -4.038 1.00 0.00 C ATOM 0 H ALA A 120 7.199 9.236 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 120 8.486 6.842 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.617 6.669 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.258 8.328 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.737 7.932 -4.313 1.00 0.00 H new ATOM 1846 N ILE A 121 5.660 6.430 -6.635 1.00 0.00 N ATOM 1847 CA ILE A 121 4.907 5.478 -7.436 1.00 0.00 C ATOM 1848 C ILE A 121 5.755 5.041 -8.632 1.00 0.00 C ATOM 1849 O ILE A 121 5.773 3.863 -8.987 1.00 0.00 O ATOM 1850 CB ILE A 121 3.548 6.063 -7.827 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.590 6.649 -9.240 1.00 0.00 C ATOM 1852 CG2 ILE A 121 3.076 7.088 -6.794 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.181 6.782 -9.820 1.00 0.00 C ATOM 0 H ILE A 121 5.208 7.336 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 121 4.687 4.582 -6.856 1.00 0.00 H new ATOM 0 HB ILE A 121 2.817 5.255 -7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.072 7.626 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.194 6.010 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.108 7.489 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.983 6.607 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.801 7.900 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.239 7.201 -10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.711 5.799 -9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.587 7.441 -9.186 1.00 0.00 H new ATOM 1865 N GLU A 122 6.439 6.012 -9.219 1.00 0.00 N ATOM 1866 CA GLU A 122 7.287 5.742 -10.367 1.00 0.00 C ATOM 1867 C GLU A 122 8.309 4.656 -10.028 1.00 0.00 C ATOM 1868 O GLU A 122 8.862 4.017 -10.922 1.00 0.00 O ATOM 1869 CB GLU A 122 7.981 7.018 -10.848 1.00 0.00 C ATOM 1870 CG GLU A 122 6.967 8.014 -11.416 1.00 0.00 C ATOM 1871 CD GLU A 122 7.482 8.641 -12.712 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.228 9.638 -12.604 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.117 8.110 -13.783 1.00 0.00 O ATOM 0 H GLU A 122 6.423 6.987 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 122 6.659 5.381 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.521 7.476 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.718 6.769 -11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 122 6.020 7.507 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.770 8.796 -10.683 1.00 0.00 H new ATOM 1880 N ALA A 123 8.530 4.479 -8.734 1.00 0.00 N ATOM 1881 CA ALA A 123 9.476 3.482 -8.265 1.00 0.00 C ATOM 1882 C ALA A 123 8.763 2.135 -8.125 1.00 0.00 C ATOM 1883 O ALA A 123 9.250 1.116 -8.614 1.00 0.00 O ATOM 1884 CB ALA A 123 10.103 3.949 -6.950 1.00 0.00 C ATOM 0 H ALA A 123 8.069 5.010 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 123 10.285 3.354 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.813 3.200 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.622 4.894 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.321 4.086 -6.203 1.00 0.00 H new ATOM 1890 N VAL A 124 7.621 2.173 -7.454 1.00 0.00 N ATOM 1891 CA VAL A 124 6.837 0.970 -7.243 1.00 0.00 C ATOM 1892 C VAL A 124 6.449 0.374 -8.597 1.00 0.00 C ATOM 1893 O VAL A 124 6.421 -0.845 -8.760 1.00 0.00 O ATOM 1894 CB VAL A 124 5.628 1.281 -6.358 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.383 1.550 -7.206 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.376 0.152 -5.357 1.00 0.00 C ATOM 0 H VAL A 124 7.220 3.019 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 124 7.425 0.220 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 124 5.851 2.186 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.538 1.768 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.566 2.402 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.157 0.671 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.511 0.398 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.185 -0.776 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.252 0.028 -4.720 1.00 0.00 H new ATOM 1906 N PHE A 125 6.157 1.263 -9.537 1.00 0.00 N ATOM 1907 CA PHE A 125 5.772 0.841 -10.872 1.00 0.00 C ATOM 1908 C PHE A 125 7.002 0.560 -11.736 1.00 0.00 C ATOM 1909 O PHE A 125 6.884 0.032 -12.839 1.00 0.00 O ATOM 1910 CB PHE A 125 4.980 1.993 -11.493 1.00 0.00 C ATOM 1911 CG PHE A 125 3.589 2.191 -10.886 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.674 1.186 -10.938 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.268 3.374 -10.295 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.385 1.370 -10.374 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.978 3.558 -9.731 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.063 2.552 -9.783 1.00 0.00 C ATOM 0 H PHE A 125 6.180 2.273 -9.399 1.00 0.00 H new ATOM 0 HA PHE A 125 5.184 -0.075 -10.817 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.550 2.915 -11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.876 1.813 -12.563 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.929 0.248 -11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.994 4.173 -10.255 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.659 0.571 -10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.723 4.496 -9.261 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.081 2.692 -9.355 1.00 0.00 H new