USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 532 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 4 MET CE :methyl -168:sc= -0.159 (180deg=-0.529) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc=-0.00922 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -174:sc= 1.13 (180deg=-0.0667) USER MOD Set 2.2: A 45 GLN : amide:sc= 1.1 K(o=2.2,f=-9.2!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -160:sc= 1.29 (180deg=-0.494) USER MOD Set 3.2: A 55 THR OG1 : rot -91:sc= 2.07 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.1 (180deg=-0.545) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.03 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -142:sc= -1.1 (180deg=-2.49!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 10 THR OG1 : rot -12:sc= 1.13 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 13 SER OG : rot 30:sc= 0.296 USER MOD Single : A 15 TYR OH : rot -100:sc= 0.555 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0396) USER MOD Single : A 28 MET CE :methyl -169:sc= 0 (180deg=-0.287) USER MOD Single : A 30 ASN : amide:sc= -1.47! C(o=-1.5!,f=-6.2!) USER MOD Single : A 39 THR OG1 : rot 138:sc= 0.626 USER MOD Single : A 42 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.015) USER MOD Single : A 51 MET CE :methyl -127:sc=-0.00445 (180deg=-2.52!) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.082 1.168 -1.708 1.00 0.00 N ATOM 2 CA MET A 1 2.689 0.184 -0.671 1.00 0.00 C ATOM 3 C MET A 1 2.508 -1.195 -1.305 1.00 0.00 C ATOM 4 O MET A 1 2.008 -1.305 -2.426 1.00 0.00 O ATOM 5 CB MET A 1 1.389 0.628 0.020 1.00 0.00 C ATOM 6 CG MET A 1 1.041 -0.190 1.261 1.00 0.00 C ATOM 7 SD MET A 1 -0.556 0.263 1.978 1.00 0.00 S ATOM 8 CE MET A 1 -0.315 2.007 2.310 1.00 0.00 C ATOM 0 H1 MET A 1 2.503 2.026 -1.609 1.00 0.00 H new ATOM 0 H2 MET A 1 4.086 1.412 -1.592 1.00 0.00 H new ATOM 0 H3 MET A 1 2.933 0.756 -2.651 1.00 0.00 H new ATOM 0 HA MET A 1 3.478 0.127 0.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.478 1.677 0.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.567 0.557 -0.693 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.030 -1.248 1.001 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.821 -0.054 2.010 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.074 2.352 3.012 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.674 2.162 2.740 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.398 2.569 1.380 1.00 0.00 H new ATOM 18 N LYS A 2 2.902 -2.239 -0.580 1.00 0.00 N ATOM 19 CA LYS A 2 2.912 -3.605 -1.108 1.00 0.00 C ATOM 20 C LYS A 2 1.808 -4.441 -0.460 1.00 0.00 C ATOM 21 O LYS A 2 1.637 -4.414 0.763 1.00 0.00 O ATOM 22 CB LYS A 2 4.287 -4.242 -0.833 1.00 0.00 C ATOM 23 CG LYS A 2 4.452 -5.664 -1.370 1.00 0.00 C ATOM 24 CD LYS A 2 5.762 -6.296 -0.898 1.00 0.00 C ATOM 25 CE LYS A 2 5.957 -7.710 -1.443 1.00 0.00 C ATOM 26 NZ LYS A 2 6.247 -7.718 -2.904 1.00 0.00 N ATOM 0 H LYS A 2 3.222 -2.165 0.386 1.00 0.00 H new ATOM 0 HA LYS A 2 2.729 -3.574 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.059 -3.611 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.458 -4.253 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.613 -6.277 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.427 -5.647 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.598 -5.670 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.777 -6.324 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.776 -8.193 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.060 -8.298 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.768 -8.527 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.902 -6.835 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.273 -7.798 -3.054 1.00 0.00 H new ATOM 40 N VAL A 3 1.052 -5.171 -1.279 1.00 0.00 N ATOM 41 CA VAL A 3 0.042 -6.100 -0.773 1.00 0.00 C ATOM 42 C VAL A 3 -0.020 -7.352 -1.648 1.00 0.00 C ATOM 43 O VAL A 3 -0.110 -7.266 -2.876 1.00 0.00 O ATOM 44 CB VAL A 3 -1.363 -5.444 -0.687 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.886 -5.049 -2.069 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.349 -6.365 0.028 1.00 0.00 C ATOM 0 H VAL A 3 1.120 -5.137 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 3 0.340 -6.379 0.237 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.264 -4.529 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.871 -4.593 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.201 -4.335 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.959 -5.936 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.326 -5.885 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.433 -7.304 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.993 -6.565 1.038 1.00 0.00 H new ATOM 56 N MET A 4 0.051 -8.514 -1.009 1.00 0.00 N ATOM 57 CA MET A 4 -0.004 -9.794 -1.711 1.00 0.00 C ATOM 58 C MET A 4 -1.361 -10.452 -1.500 1.00 0.00 C ATOM 59 O MET A 4 -1.761 -10.713 -0.365 1.00 0.00 O ATOM 60 CB MET A 4 1.110 -10.730 -1.213 1.00 0.00 C ATOM 61 CG MET A 4 1.091 -12.109 -1.866 1.00 0.00 C ATOM 62 SD MET A 4 2.348 -13.218 -1.195 1.00 0.00 S ATOM 63 CE MET A 4 3.848 -12.325 -1.599 1.00 0.00 C ATOM 0 H MET A 4 0.148 -8.597 0.003 1.00 0.00 H new ATOM 0 HA MET A 4 0.142 -9.608 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.076 -10.262 -1.401 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.018 -10.848 -0.133 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.107 -12.557 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.245 -12.000 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.710 -12.973 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.814 -12.010 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.933 -11.448 -0.958 1.00 0.00 H new ATOM 73 N ILE A 5 -2.071 -10.710 -2.591 1.00 0.00 N ATOM 74 CA ILE A 5 -3.355 -11.398 -2.524 1.00 0.00 C ATOM 75 C ILE A 5 -3.148 -12.883 -2.794 1.00 0.00 C ATOM 76 O ILE A 5 -2.620 -13.260 -3.843 1.00 0.00 O ATOM 77 CB ILE A 5 -4.366 -10.827 -3.552 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.538 -9.308 -3.355 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.715 -11.543 -3.441 1.00 0.00 C ATOM 80 CD1 ILE A 5 -5.076 -8.916 -1.993 1.00 0.00 C ATOM 0 H ILE A 5 -1.779 -10.453 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.766 -11.246 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.971 -11.001 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.574 -8.822 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.211 -8.927 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.409 -11.127 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.579 -12.607 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.118 -11.406 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.167 -7.831 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.055 -9.371 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.393 -9.264 -1.218 1.00 0.00 H new ATOM 92 N ARG A 6 -3.562 -13.727 -1.854 1.00 0.00 N ATOM 93 CA ARG A 6 -3.370 -15.166 -1.991 1.00 0.00 C ATOM 94 C ARG A 6 -4.632 -15.808 -2.555 1.00 0.00 C ATOM 95 O ARG A 6 -5.745 -15.323 -2.331 1.00 0.00 O ATOM 96 CB ARG A 6 -3.010 -15.812 -0.643 1.00 0.00 C ATOM 97 CG ARG A 6 -1.927 -15.073 0.142 1.00 0.00 C ATOM 98 CD ARG A 6 -1.271 -15.964 1.198 1.00 0.00 C ATOM 99 NE ARG A 6 -2.240 -16.778 1.945 1.00 0.00 N ATOM 100 CZ ARG A 6 -2.120 -17.097 3.236 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.126 -16.595 3.964 1.00 0.00 N ATOM 102 NH2 ARG A 6 -2.999 -17.921 3.792 1.00 0.00 N ATOM 0 H ARG A 6 -4.030 -13.441 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.540 -15.332 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.910 -15.871 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.678 -16.835 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.166 -14.708 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.363 -14.199 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.550 -16.622 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.714 -15.340 1.897 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.059 -17.122 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.450 -15.962 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.040 -16.843 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.761 -18.307 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.913 -18.169 4.778 1.00 0.00 H new ATOM 116 N LYS A 7 -4.449 -16.894 -3.294 1.00 0.00 N ATOM 117 CA LYS A 7 -5.556 -17.596 -3.926 1.00 0.00 C ATOM 118 C LYS A 7 -5.857 -18.894 -3.186 1.00 0.00 C ATOM 119 O LYS A 7 -4.969 -19.727 -2.986 1.00 0.00 O ATOM 120 CB LYS A 7 -5.230 -17.876 -5.398 1.00 0.00 C ATOM 121 CG LYS A 7 -5.054 -16.611 -6.235 1.00 0.00 C ATOM 122 CD LYS A 7 -6.288 -15.714 -6.171 1.00 0.00 C ATOM 123 CE LYS A 7 -6.204 -14.580 -7.182 1.00 0.00 C ATOM 124 NZ LYS A 7 -6.130 -15.096 -8.572 1.00 0.00 N ATOM 0 H LYS A 7 -3.535 -17.310 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.443 -16.965 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.317 -18.468 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.028 -18.480 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.184 -16.058 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.857 -16.885 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.182 -16.308 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.388 -15.302 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.075 -13.933 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.326 -13.968 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.741 -14.360 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.514 -15.933 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.083 -15.357 -8.897 1.00 0.00 H new ATOM 138 N THR A 8 -7.110 -19.046 -2.777 1.00 0.00 N ATOM 139 CA THR A 8 -7.561 -20.204 -2.019 1.00 0.00 C ATOM 140 C THR A 8 -9.075 -20.336 -2.164 1.00 0.00 C ATOM 141 O THR A 8 -9.779 -19.322 -2.236 1.00 0.00 O ATOM 142 CB THR A 8 -7.197 -20.065 -0.520 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.787 -19.824 -0.376 1.00 0.00 O ATOM 144 CG2 THR A 8 -7.583 -21.314 0.270 1.00 0.00 C ATOM 0 H THR A 8 -7.846 -18.365 -2.963 1.00 0.00 H new ATOM 0 HA THR A 8 -7.064 -21.092 -2.410 1.00 0.00 H new ATOM 0 HB THR A 8 -7.759 -19.221 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.566 -19.736 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.313 -21.180 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.658 -21.477 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.054 -22.178 -0.134 1.00 0.00 H new ATOM 152 N ALA A 9 -9.567 -21.571 -2.222 1.00 0.00 N ATOM 153 CA ALA A 9 -11.002 -21.828 -2.338 1.00 0.00 C ATOM 154 C ALA A 9 -11.769 -21.122 -1.218 1.00 0.00 C ATOM 155 O ALA A 9 -11.775 -21.590 -0.082 1.00 0.00 O ATOM 156 CB ALA A 9 -11.278 -23.330 -2.321 1.00 0.00 C ATOM 0 H ALA A 9 -8.992 -22.413 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.349 -21.427 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.351 -23.504 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.764 -23.804 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.916 -23.756 -1.385 1.00 0.00 H new ATOM 162 N THR A 10 -12.365 -19.974 -1.559 1.00 0.00 N ATOM 163 CA THR A 10 -13.138 -19.115 -0.637 1.00 0.00 C ATOM 164 C THR A 10 -12.260 -18.439 0.430 1.00 0.00 C ATOM 165 O THR A 10 -12.535 -17.308 0.838 1.00 0.00 O ATOM 166 CB THR A 10 -14.330 -19.850 0.048 1.00 0.00 C ATOM 167 OG1 THR A 10 -13.871 -20.831 0.991 1.00 0.00 O ATOM 168 CG2 THR A 10 -15.226 -20.523 -0.988 1.00 0.00 C ATOM 0 H THR A 10 -12.326 -19.601 -2.508 1.00 0.00 H new ATOM 0 HA THR A 10 -13.554 -18.340 -1.281 1.00 0.00 H new ATOM 0 HB THR A 10 -14.906 -19.094 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.909 -20.973 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.049 -21.028 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.624 -19.770 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.645 -21.252 -1.553 1.00 0.00 H new ATOM 176 N GLY A 11 -11.197 -19.110 0.867 1.00 0.00 N ATOM 177 CA GLY A 11 -10.335 -18.562 1.899 1.00 0.00 C ATOM 178 C GLY A 11 -9.317 -17.581 1.351 1.00 0.00 C ATOM 179 O GLY A 11 -8.114 -17.733 1.579 1.00 0.00 O ATOM 0 H GLY A 11 -10.917 -20.028 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.947 -18.063 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.814 -19.377 2.402 1.00 0.00 H new ATOM 183 N HIS A 12 -9.799 -16.572 0.629 1.00 0.00 N ATOM 184 CA HIS A 12 -8.930 -15.561 0.033 1.00 0.00 C ATOM 185 C HIS A 12 -8.330 -14.679 1.124 1.00 0.00 C ATOM 186 O HIS A 12 -9.058 -14.017 1.864 1.00 0.00 O ATOM 187 CB HIS A 12 -9.710 -14.696 -0.969 1.00 0.00 C ATOM 188 CG HIS A 12 -10.317 -15.474 -2.099 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.658 -15.788 -2.162 1.00 0.00 N ATOM 190 CD2 HIS A 12 -9.762 -15.990 -3.221 1.00 0.00 C ATOM 191 CE1 HIS A 12 -11.899 -16.461 -3.271 1.00 0.00 C ATOM 192 NE2 HIS A 12 -10.766 -16.597 -3.932 1.00 0.00 N ATOM 0 H HIS A 12 -10.792 -16.433 0.442 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.127 -16.069 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.502 -14.167 -0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.041 -13.940 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.721 -15.934 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.862 -16.837 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.654 -17.075 -4.826 1.00 0.00 H new ATOM 201 N SER A 13 -7.009 -14.687 1.233 1.00 0.00 N ATOM 202 CA SER A 13 -6.314 -13.908 2.249 1.00 0.00 C ATOM 203 C SER A 13 -5.522 -12.778 1.597 1.00 0.00 C ATOM 204 O SER A 13 -5.077 -12.901 0.450 1.00 0.00 O ATOM 205 CB SER A 13 -5.385 -14.819 3.064 1.00 0.00 C ATOM 206 OG SER A 13 -4.799 -14.121 4.151 1.00 0.00 O ATOM 0 H SER A 13 -6.393 -15.228 0.626 1.00 0.00 H new ATOM 0 HA SER A 13 -7.049 -13.468 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.948 -15.673 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.601 -15.213 2.418 1.00 0.00 H new ATOM 0 HG SER A 13 -5.410 -13.418 4.456 1.00 0.00 H new ATOM 212 N ALA A 14 -5.362 -11.677 2.325 1.00 0.00 N ATOM 213 CA ALA A 14 -4.608 -10.527 1.840 1.00 0.00 C ATOM 214 C ALA A 14 -3.499 -10.172 2.825 1.00 0.00 C ATOM 215 O ALA A 14 -3.738 -10.072 4.031 1.00 0.00 O ATOM 216 CB ALA A 14 -5.534 -9.337 1.623 1.00 0.00 C ATOM 0 H ALA A 14 -5.749 -11.557 3.261 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.153 -10.785 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.955 -8.487 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.295 -9.598 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.015 -9.074 2.565 1.00 0.00 H new ATOM 222 N TYR A 15 -2.290 -9.994 2.303 1.00 0.00 N ATOM 223 CA TYR A 15 -1.124 -9.677 3.120 1.00 0.00 C ATOM 224 C TYR A 15 -0.674 -8.238 2.859 1.00 0.00 C ATOM 225 O TYR A 15 -0.063 -7.941 1.830 1.00 0.00 O ATOM 226 CB TYR A 15 0.010 -10.666 2.807 1.00 0.00 C ATOM 227 CG TYR A 15 1.219 -10.548 3.717 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.261 -11.215 4.938 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.325 -9.786 3.349 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.363 -11.123 5.764 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.432 -9.695 4.169 1.00 0.00 C ATOM 232 CZ TYR A 15 3.446 -10.364 5.375 1.00 0.00 C ATOM 233 OH TYR A 15 4.552 -10.283 6.190 1.00 0.00 O ATOM 0 H TYR A 15 -2.091 -10.065 1.305 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.386 -9.767 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.382 -11.681 2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.331 -10.516 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.417 -11.815 5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.317 -9.258 2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.377 -11.643 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.283 -9.103 3.867 1.00 0.00 H new ATOM 0 HH TYR A 15 4.525 -9.444 6.696 1.00 0.00 H new ATOM 243 N VAL A 16 -0.997 -7.350 3.791 1.00 0.00 N ATOM 244 CA VAL A 16 -0.638 -5.941 3.690 1.00 0.00 C ATOM 245 C VAL A 16 0.745 -5.707 4.304 1.00 0.00 C ATOM 246 O VAL A 16 0.897 -5.692 5.529 1.00 0.00 O ATOM 247 CB VAL A 16 -1.686 -5.048 4.402 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.400 -3.573 4.148 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.102 -5.417 3.957 1.00 0.00 C ATOM 0 H VAL A 16 -1.515 -7.586 4.638 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.616 -5.671 2.634 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.613 -5.224 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.148 -2.965 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.409 -3.324 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.438 -3.374 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.822 -4.778 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.193 -5.276 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.301 -6.460 4.205 1.00 0.00 H new ATOM 259 N ALA A 17 1.746 -5.516 3.448 1.00 0.00 N ATOM 260 CA ALA A 17 3.144 -5.461 3.878 1.00 0.00 C ATOM 261 C ALA A 17 3.443 -4.261 4.781 1.00 0.00 C ATOM 262 O ALA A 17 4.355 -4.319 5.607 1.00 0.00 O ATOM 263 CB ALA A 17 4.067 -5.449 2.665 1.00 0.00 C ATOM 0 H ALA A 17 1.614 -5.396 2.444 1.00 0.00 H new ATOM 0 HA ALA A 17 3.327 -6.357 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.104 -5.408 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.909 -6.354 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.848 -4.576 2.050 1.00 0.00 H new ATOM 269 N LYS A 18 2.674 -3.182 4.639 1.00 0.00 N ATOM 270 CA LYS A 18 2.931 -1.952 5.401 1.00 0.00 C ATOM 271 C LYS A 18 2.727 -2.177 6.902 1.00 0.00 C ATOM 272 O LYS A 18 3.235 -1.418 7.726 1.00 0.00 O ATOM 273 CB LYS A 18 2.041 -0.797 4.893 1.00 0.00 C ATOM 274 CG LYS A 18 0.552 -0.916 5.249 1.00 0.00 C ATOM 275 CD LYS A 18 0.184 -0.143 6.520 1.00 0.00 C ATOM 276 CE LYS A 18 0.356 1.364 6.343 1.00 0.00 C ATOM 277 NZ LYS A 18 0.077 2.112 7.597 1.00 0.00 N ATOM 0 H LYS A 18 1.873 -3.130 4.010 1.00 0.00 H new ATOM 0 HA LYS A 18 3.973 -1.674 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.422 0.140 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.136 -0.736 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.047 -0.545 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.297 -1.967 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.849 -0.361 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.808 -0.485 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.373 1.576 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.312 1.714 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.206 3.130 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.902 1.932 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.731 1.798 8.342 1.00 0.00 H new ATOM 291 N LYS A 19 1.985 -3.225 7.250 1.00 0.00 N ATOM 292 CA LYS A 19 1.684 -3.530 8.650 1.00 0.00 C ATOM 293 C LYS A 19 1.902 -5.018 8.941 1.00 0.00 C ATOM 294 O LYS A 19 1.777 -5.460 10.085 1.00 0.00 O ATOM 295 CB LYS A 19 0.229 -3.132 8.964 1.00 0.00 C ATOM 296 CG LYS A 19 -0.182 -3.334 10.423 1.00 0.00 C ATOM 297 CD LYS A 19 -1.657 -3.011 10.650 1.00 0.00 C ATOM 298 CE LYS A 19 -2.090 -3.300 12.085 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.387 -2.436 13.073 1.00 0.00 N ATOM 0 H LYS A 19 1.579 -3.880 6.582 1.00 0.00 H new ATOM 0 HA LYS A 19 2.359 -2.958 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.088 -2.084 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.439 -3.713 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.013 -4.366 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.431 -2.700 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.838 -1.961 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.267 -3.597 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.166 -3.149 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.894 -4.347 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.774 -2.609 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.371 -2.658 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.524 -1.437 12.820 1.00 0.00 H new ATOM 313 N ASP A 20 2.254 -5.781 7.903 1.00 0.00 N ATOM 314 CA ASP A 20 2.342 -7.244 8.004 1.00 0.00 C ATOM 315 C ASP A 20 0.982 -7.815 8.389 1.00 0.00 C ATOM 316 O ASP A 20 0.888 -8.871 9.020 1.00 0.00 O ATOM 317 CB ASP A 20 3.414 -7.681 9.022 1.00 0.00 C ATOM 318 CG ASP A 20 4.830 -7.428 8.535 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.297 -6.275 8.617 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.490 -8.387 8.075 1.00 0.00 O ATOM 0 H ASP A 20 2.483 -5.411 6.981 1.00 0.00 H new ATOM 0 HA ASP A 20 2.638 -7.634 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.257 -7.147 9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.293 -8.743 9.236 1.00 0.00 H new ATOM 325 N LEU A 21 -0.072 -7.123 7.968 1.00 0.00 N ATOM 326 CA LEU A 21 -1.434 -7.504 8.315 1.00 0.00 C ATOM 327 C LEU A 21 -1.906 -8.587 7.356 1.00 0.00 C ATOM 328 O LEU A 21 -1.933 -8.383 6.145 1.00 0.00 O ATOM 329 CB LEU A 21 -2.363 -6.274 8.251 1.00 0.00 C ATOM 330 CG LEU A 21 -3.741 -6.414 8.940 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.458 -5.067 8.982 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.624 -7.446 8.242 1.00 0.00 C ATOM 0 H LEU A 21 -0.006 -6.290 7.382 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.460 -7.892 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.841 -5.429 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.529 -6.026 7.203 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.558 -6.759 9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.425 -5.185 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.855 -4.351 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.606 -4.702 7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.582 -7.513 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.789 -7.144 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.132 -8.419 8.262 1.00 0.00 H new ATOM 344 N GLU A 22 -2.269 -9.732 7.906 1.00 0.00 N ATOM 345 CA GLU A 22 -2.760 -10.853 7.117 1.00 0.00 C ATOM 346 C GLU A 22 -4.143 -11.251 7.617 1.00 0.00 C ATOM 347 O GLU A 22 -4.283 -11.745 8.740 1.00 0.00 O ATOM 348 CB GLU A 22 -1.793 -12.038 7.220 1.00 0.00 C ATOM 349 CG GLU A 22 -2.208 -13.249 6.394 1.00 0.00 C ATOM 350 CD GLU A 22 -1.336 -14.462 6.669 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.282 -14.605 6.016 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.702 -15.276 7.546 1.00 0.00 O ATOM 0 H GLU A 22 -2.233 -9.913 8.909 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.827 -10.558 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.803 -11.715 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.709 -12.335 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.247 -13.495 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.154 -12.999 5.334 1.00 0.00 H new ATOM 359 N GLU A 23 -5.162 -11.017 6.800 1.00 0.00 N ATOM 360 CA GLU A 23 -6.539 -11.289 7.198 1.00 0.00 C ATOM 361 C GLU A 23 -7.299 -11.962 6.062 1.00 0.00 C ATOM 362 O GLU A 23 -6.851 -11.953 4.909 1.00 0.00 O ATOM 363 CB GLU A 23 -7.245 -9.982 7.604 1.00 0.00 C ATOM 364 CG GLU A 23 -8.506 -10.188 8.440 1.00 0.00 C ATOM 365 CD GLU A 23 -8.271 -11.065 9.661 1.00 0.00 C ATOM 366 OE1 GLU A 23 -7.734 -10.562 10.672 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.621 -12.263 9.607 1.00 0.00 O ATOM 0 H GLU A 23 -5.062 -10.640 5.858 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.524 -11.963 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.546 -9.364 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.506 -9.428 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.884 -9.218 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.278 -10.640 7.818 1.00 0.00 H new ATOM 374 N LEU A 24 -8.437 -12.555 6.398 1.00 0.00 N ATOM 375 CA LEU A 24 -9.311 -13.175 5.412 1.00 0.00 C ATOM 376 C LEU A 24 -10.251 -12.132 4.810 1.00 0.00 C ATOM 377 O LEU A 24 -10.715 -11.224 5.509 1.00 0.00 O ATOM 378 CB LEU A 24 -10.115 -14.311 6.060 1.00 0.00 C ATOM 379 CG LEU A 24 -9.267 -15.450 6.657 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.156 -16.501 7.317 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.385 -16.090 5.583 1.00 0.00 C ATOM 0 H LEU A 24 -8.779 -12.620 7.357 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.700 -13.593 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.738 -13.890 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.787 -14.732 5.313 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.619 -15.022 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.535 -17.295 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.734 -16.038 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.835 -16.921 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.795 -16.892 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.014 -16.498 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.717 -15.337 5.164 1.00 0.00 H new ATOM 393 N ILE A 25 -10.513 -12.260 3.515 1.00 0.00 N ATOM 394 CA ILE A 25 -11.392 -11.342 2.800 1.00 0.00 C ATOM 395 C ILE A 25 -12.842 -11.816 2.892 1.00 0.00 C ATOM 396 O ILE A 25 -13.184 -12.892 2.391 1.00 0.00 O ATOM 397 CB ILE A 25 -10.975 -11.225 1.311 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.531 -10.698 1.203 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.945 -10.324 0.543 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.003 -10.623 -0.216 1.00 0.00 C ATOM 0 H ILE A 25 -10.124 -13.001 2.932 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.304 -10.360 3.265 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.015 -12.217 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.484 -9.705 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.876 -11.342 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.632 -10.257 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.950 -10.744 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.945 -9.328 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.982 -10.243 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.015 -11.618 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.632 -9.955 -0.804 1.00 0.00 H new ATOM 412 N VAL A 26 -13.683 -11.019 3.547 1.00 0.00 N ATOM 413 CA VAL A 26 -15.089 -11.371 3.742 1.00 0.00 C ATOM 414 C VAL A 26 -15.999 -10.567 2.808 1.00 0.00 C ATOM 415 O VAL A 26 -16.897 -11.123 2.170 1.00 0.00 O ATOM 416 CB VAL A 26 -15.530 -11.167 5.219 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.790 -12.137 6.139 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.303 -9.722 5.668 1.00 0.00 C ATOM 0 H VAL A 26 -13.415 -10.122 3.953 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.188 -12.429 3.498 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.598 -11.375 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.112 -11.979 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.013 -13.162 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.717 -11.963 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.620 -9.609 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.244 -9.477 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.882 -9.049 5.036 1.00 0.00 H new ATOM 428 N GLU A 27 -15.755 -9.264 2.715 1.00 0.00 N ATOM 429 CA GLU A 27 -16.567 -8.387 1.874 1.00 0.00 C ATOM 430 C GLU A 27 -15.779 -7.964 0.640 1.00 0.00 C ATOM 431 O GLU A 27 -14.578 -7.704 0.722 1.00 0.00 O ATOM 432 CB GLU A 27 -17.010 -7.151 2.662 1.00 0.00 C ATOM 433 CG GLU A 27 -17.909 -6.205 1.872 1.00 0.00 C ATOM 434 CD GLU A 27 -18.246 -4.944 2.643 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.245 -4.944 3.390 1.00 0.00 O ATOM 436 OE2 GLU A 27 -17.507 -3.946 2.512 1.00 0.00 O ATOM 0 H GLU A 27 -15.001 -8.790 3.212 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.454 -8.936 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.538 -7.474 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.126 -6.606 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.415 -5.935 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.831 -6.722 1.607 1.00 0.00 H new ATOM 443 N MET A 28 -16.461 -7.898 -0.499 1.00 0.00 N ATOM 444 CA MET A 28 -15.827 -7.541 -1.767 1.00 0.00 C ATOM 445 C MET A 28 -16.641 -6.468 -2.487 1.00 0.00 C ATOM 446 O MET A 28 -17.874 -6.478 -2.431 1.00 0.00 O ATOM 447 CB MET A 28 -15.725 -8.778 -2.672 1.00 0.00 C ATOM 448 CG MET A 28 -14.978 -9.953 -2.056 1.00 0.00 C ATOM 449 SD MET A 28 -15.176 -11.465 -3.022 1.00 0.00 S ATOM 450 CE MET A 28 -14.217 -12.625 -2.050 1.00 0.00 C ATOM 0 H MET A 28 -17.460 -8.088 -0.571 1.00 0.00 H new ATOM 0 HA MET A 28 -14.830 -7.157 -1.553 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.731 -9.102 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 28 -15.228 -8.494 -3.599 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.919 -9.708 -1.979 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.341 -10.121 -1.042 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.081 -13.548 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.243 -12.192 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.743 -12.842 -1.120 1.00 0.00 H new ATOM 460 N GLU A 29 -15.950 -5.541 -3.146 1.00 0.00 N ATOM 461 CA GLU A 29 -16.605 -4.575 -4.025 1.00 0.00 C ATOM 462 C GLU A 29 -17.186 -5.327 -5.222 1.00 0.00 C ATOM 463 O GLU A 29 -18.378 -5.227 -5.524 1.00 0.00 O ATOM 464 CB GLU A 29 -15.591 -3.501 -4.474 1.00 0.00 C ATOM 465 CG GLU A 29 -16.181 -2.318 -5.250 1.00 0.00 C ATOM 466 CD GLU A 29 -16.528 -2.644 -6.699 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.600 -2.906 -7.496 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.727 -2.636 -7.051 1.00 0.00 O ATOM 0 H GLU A 29 -14.937 -5.438 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.412 -4.066 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.082 -3.116 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.834 -3.979 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.080 -1.973 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.469 -1.493 -5.233 1.00 0.00 H new ATOM 475 N ASN A 30 -16.328 -6.100 -5.878 1.00 0.00 N ATOM 476 CA ASN A 30 -16.735 -6.956 -6.989 1.00 0.00 C ATOM 477 C ASN A 30 -16.877 -8.388 -6.484 1.00 0.00 C ATOM 478 O ASN A 30 -15.962 -8.908 -5.847 1.00 0.00 O ATOM 479 CB ASN A 30 -15.694 -6.896 -8.116 1.00 0.00 C ATOM 480 CG ASN A 30 -16.142 -7.570 -9.406 1.00 0.00 C ATOM 481 OD1 ASN A 30 -17.325 -7.590 -9.741 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.190 -8.114 -10.150 1.00 0.00 N ATOM 0 H ASN A 30 -15.334 -6.152 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.690 -6.609 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.459 -5.852 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.773 -7.367 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.429 -8.568 -11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.219 -8.079 -9.841 1.00 0.00 H new ATOM 489 N PRO A 31 -18.023 -9.039 -6.763 1.00 0.00 N ATOM 490 CA PRO A 31 -18.342 -10.401 -6.291 1.00 0.00 C ATOM 491 C PRO A 31 -17.191 -11.398 -6.467 1.00 0.00 C ATOM 492 O PRO A 31 -17.099 -12.383 -5.733 1.00 0.00 O ATOM 493 CB PRO A 31 -19.550 -10.808 -7.166 1.00 0.00 C ATOM 494 CG PRO A 31 -19.637 -9.750 -8.220 1.00 0.00 C ATOM 495 CD PRO A 31 -19.121 -8.506 -7.573 1.00 0.00 C ATOM 0 HA PRO A 31 -18.541 -10.411 -5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.404 -11.794 -7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.466 -10.855 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.041 -10.015 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.664 -9.619 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.775 -7.775 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.880 -8.014 -6.964 1.00 0.00 H new ATOM 503 N ALA A 32 -16.328 -11.145 -7.448 1.00 0.00 N ATOM 504 CA ALA A 32 -15.177 -12.008 -7.693 1.00 0.00 C ATOM 505 C ALA A 32 -14.133 -11.843 -6.597 1.00 0.00 C ATOM 506 O ALA A 32 -13.942 -12.733 -5.767 1.00 0.00 O ATOM 507 CB ALA A 32 -14.554 -11.698 -9.049 1.00 0.00 C ATOM 0 H ALA A 32 -16.404 -10.351 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.526 -13.040 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.697 -12.351 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.292 -11.862 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.227 -10.659 -9.070 1.00 0.00 H new ATOM 513 N LEU A 33 -13.474 -10.684 -6.603 1.00 0.00 N ATOM 514 CA LEU A 33 -12.370 -10.400 -5.693 1.00 0.00 C ATOM 515 C LEU A 33 -11.738 -9.066 -6.072 1.00 0.00 C ATOM 516 O LEU A 33 -11.688 -8.130 -5.277 1.00 0.00 O ATOM 517 CB LEU A 33 -11.311 -11.515 -5.772 1.00 0.00 C ATOM 518 CG LEU A 33 -10.225 -11.482 -4.681 1.00 0.00 C ATOM 519 CD1 LEU A 33 -10.848 -11.598 -3.290 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.195 -12.589 -4.909 1.00 0.00 C ATOM 0 H LEU A 33 -13.692 -9.917 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.752 -10.352 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.819 -12.478 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.824 -11.460 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.712 -10.522 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.061 -11.572 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.533 -10.766 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.394 -12.538 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.437 -12.547 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.691 -13.559 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.721 -12.451 -5.881 1.00 0.00 H new ATOM 532 N TRP A 34 -11.271 -8.996 -7.314 1.00 0.00 N ATOM 533 CA TRP A 34 -10.611 -7.806 -7.836 1.00 0.00 C ATOM 534 C TRP A 34 -11.624 -6.897 -8.522 1.00 0.00 C ATOM 535 O TRP A 34 -12.692 -7.347 -8.942 1.00 0.00 O ATOM 536 CB TRP A 34 -9.510 -8.206 -8.827 1.00 0.00 C ATOM 537 CG TRP A 34 -8.464 -9.100 -8.225 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.606 -10.418 -7.898 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.123 -8.744 -7.878 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.437 -10.901 -7.367 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.511 -9.894 -7.346 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.378 -7.564 -7.964 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.192 -9.899 -6.908 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.068 -7.571 -7.528 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.486 -8.731 -7.004 1.00 0.00 C ATOM 0 H TRP A 34 -11.339 -9.761 -7.985 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.160 -7.264 -7.005 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.964 -8.712 -9.679 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.031 -7.305 -9.210 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.508 -10.996 -8.037 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.283 -11.855 -7.041 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.819 -6.663 -8.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.740 -10.794 -6.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.482 -6.666 -7.592 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.460 -8.704 -6.669 1.00 0.00 H new ATOM 556 N GLY A 35 -11.280 -5.620 -8.627 1.00 0.00 N ATOM 557 CA GLY A 35 -12.156 -4.645 -9.251 1.00 0.00 C ATOM 558 C GLY A 35 -12.279 -3.407 -8.400 1.00 0.00 C ATOM 559 O GLY A 35 -12.302 -2.284 -8.905 1.00 0.00 O ATOM 0 H GLY A 35 -10.398 -5.238 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.767 -4.378 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.142 -5.083 -9.406 1.00 0.00 H new ATOM 563 N GLY A 36 -12.328 -3.621 -7.095 1.00 0.00 N ATOM 564 CA GLY A 36 -12.424 -2.530 -6.154 1.00 0.00 C ATOM 565 C GLY A 36 -11.880 -2.924 -4.801 1.00 0.00 C ATOM 566 O GLY A 36 -10.983 -3.759 -4.710 1.00 0.00 O ATOM 0 H GLY A 36 -12.302 -4.547 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.873 -1.670 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.465 -2.223 -6.055 1.00 0.00 H new ATOM 570 N LYS A 37 -12.430 -2.336 -3.752 1.00 0.00 N ATOM 571 CA LYS A 37 -11.967 -2.590 -2.392 1.00 0.00 C ATOM 572 C LYS A 37 -12.487 -3.926 -1.864 1.00 0.00 C ATOM 573 O LYS A 37 -13.568 -4.384 -2.242 1.00 0.00 O ATOM 574 CB LYS A 37 -12.390 -1.436 -1.457 1.00 0.00 C ATOM 575 CG LYS A 37 -13.906 -1.272 -1.253 1.00 0.00 C ATOM 576 CD LYS A 37 -14.451 -2.161 -0.128 1.00 0.00 C ATOM 577 CE LYS A 37 -15.957 -1.996 0.066 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.325 -0.623 0.515 1.00 0.00 N ATOM 0 H LYS A 37 -13.204 -1.674 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.879 -2.645 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.925 -1.591 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.992 -0.503 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.127 -0.229 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.422 -1.512 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.228 -3.204 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.939 -1.919 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.468 -2.218 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.308 -2.722 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.342 -0.589 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.782 -0.380 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.108 0.059 -0.240 1.00 0.00 H new ATOM 592 N VAL A 38 -11.700 -4.544 -0.997 1.00 0.00 N ATOM 593 CA VAL A 38 -12.132 -5.712 -0.245 1.00 0.00 C ATOM 594 C VAL A 38 -11.945 -5.433 1.241 1.00 0.00 C ATOM 595 O VAL A 38 -10.953 -4.815 1.643 1.00 0.00 O ATOM 596 CB VAL A 38 -11.350 -6.993 -0.640 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.589 -7.345 -2.106 1.00 0.00 C ATOM 598 CG2 VAL A 38 -9.858 -6.839 -0.346 1.00 0.00 C ATOM 0 H VAL A 38 -10.744 -4.250 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.181 -5.894 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.724 -7.817 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.031 -8.246 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.653 -7.519 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.255 -6.522 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.335 -7.751 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.460 -5.999 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.714 -6.657 0.719 1.00 0.00 H new ATOM 608 N THR A 39 -12.903 -5.853 2.051 1.00 0.00 N ATOM 609 CA THR A 39 -12.835 -5.618 3.486 1.00 0.00 C ATOM 610 C THR A 39 -12.364 -6.874 4.212 1.00 0.00 C ATOM 611 O THR A 39 -13.015 -7.925 4.155 1.00 0.00 O ATOM 612 CB THR A 39 -14.200 -5.170 4.054 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.722 -4.089 3.266 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.069 -4.722 5.510 1.00 0.00 C ATOM 0 H THR A 39 -13.734 -6.357 1.742 1.00 0.00 H new ATOM 0 HA THR A 39 -12.117 -4.815 3.650 1.00 0.00 H new ATOM 0 HB THR A 39 -14.881 -6.020 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.681 -4.225 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.045 -4.412 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.695 -5.549 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.374 -3.885 5.572 1.00 0.00 H new ATOM 622 N LEU A 40 -11.211 -6.761 4.860 1.00 0.00 N ATOM 623 CA LEU A 40 -10.677 -7.828 5.691 1.00 0.00 C ATOM 624 C LEU A 40 -11.585 -8.056 6.893 1.00 0.00 C ATOM 625 O LEU A 40 -12.254 -7.129 7.353 1.00 0.00 O ATOM 626 CB LEU A 40 -9.262 -7.470 6.164 1.00 0.00 C ATOM 627 CG LEU A 40 -8.240 -7.233 5.043 1.00 0.00 C ATOM 628 CD1 LEU A 40 -6.876 -6.868 5.616 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.143 -8.454 4.132 1.00 0.00 C ATOM 0 H LEU A 40 -10.623 -5.929 4.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.631 -8.744 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.318 -6.572 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.896 -8.273 6.804 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.585 -6.391 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.171 -6.705 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.962 -5.957 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.518 -7.680 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.413 -8.264 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.830 -9.320 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.117 -8.652 3.684 1.00 0.00 H new ATOM 641 N ALA A 41 -11.589 -9.281 7.405 1.00 0.00 N ATOM 642 CA ALA A 41 -12.448 -9.657 8.531 1.00 0.00 C ATOM 643 C ALA A 41 -12.210 -8.760 9.753 1.00 0.00 C ATOM 644 O ALA A 41 -13.096 -8.589 10.594 1.00 0.00 O ATOM 645 CB ALA A 41 -12.228 -11.124 8.887 1.00 0.00 C ATOM 0 H ALA A 41 -11.003 -10.040 7.057 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.485 -9.516 8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.870 -11.395 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.471 -11.748 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.185 -11.279 9.164 1.00 0.00 H new ATOM 651 N ASN A 42 -11.016 -8.172 9.834 1.00 0.00 N ATOM 652 CA ASN A 42 -10.638 -7.320 10.968 1.00 0.00 C ATOM 653 C ASN A 42 -11.240 -5.917 10.834 1.00 0.00 C ATOM 654 O ASN A 42 -11.250 -5.139 11.790 1.00 0.00 O ATOM 655 CB ASN A 42 -9.106 -7.225 11.063 1.00 0.00 C ATOM 656 CG ASN A 42 -8.630 -6.577 12.358 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.400 -7.260 13.357 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.470 -5.262 12.350 1.00 0.00 N ATOM 0 H ASN A 42 -10.289 -8.269 9.125 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.032 -7.772 11.878 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.680 -8.225 10.985 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.730 -6.651 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.146 -4.783 13.190 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.670 -4.729 11.504 1.00 0.00 H new ATOM 665 N GLY A 43 -11.754 -5.605 9.649 1.00 0.00 N ATOM 666 CA GLY A 43 -12.273 -4.273 9.380 1.00 0.00 C ATOM 667 C GLY A 43 -11.223 -3.385 8.738 1.00 0.00 C ATOM 668 O GLY A 43 -10.916 -2.302 9.238 1.00 0.00 O ATOM 0 H GLY A 43 -11.821 -6.254 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.140 -4.345 8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.614 -3.820 10.311 1.00 0.00 H new ATOM 672 N TRP A 44 -10.666 -3.861 7.631 1.00 0.00 N ATOM 673 CA TRP A 44 -9.608 -3.153 6.913 1.00 0.00 C ATOM 674 C TRP A 44 -9.888 -3.212 5.414 1.00 0.00 C ATOM 675 O TRP A 44 -9.904 -4.292 4.825 1.00 0.00 O ATOM 676 CB TRP A 44 -8.246 -3.793 7.235 1.00 0.00 C ATOM 677 CG TRP A 44 -7.062 -3.097 6.617 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.641 -3.182 5.317 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.133 -2.230 7.281 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.517 -2.414 5.136 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.183 -1.823 6.326 1.00 0.00 C ATOM 682 CE3 TRP A 44 -6.014 -1.760 8.592 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.132 -0.966 6.637 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.968 -0.909 8.902 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.039 -0.521 7.928 1.00 0.00 C ATOM 0 H TRP A 44 -10.933 -4.748 7.204 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.583 -2.109 7.226 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.115 -3.812 8.317 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.258 -4.829 6.898 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.122 -3.767 4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.012 -2.302 4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.725 -2.056 9.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.416 -0.663 5.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.866 -0.538 9.911 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.232 0.143 8.201 1.00 0.00 H new ATOM 696 N GLN A 45 -10.127 -2.058 4.808 1.00 0.00 N ATOM 697 CA GLN A 45 -10.454 -1.984 3.385 1.00 0.00 C ATOM 698 C GLN A 45 -9.205 -1.741 2.545 1.00 0.00 C ATOM 699 O GLN A 45 -8.515 -0.732 2.713 1.00 0.00 O ATOM 700 CB GLN A 45 -11.482 -0.877 3.125 1.00 0.00 C ATOM 701 CG GLN A 45 -12.860 -1.166 3.705 1.00 0.00 C ATOM 702 CD GLN A 45 -13.844 -0.041 3.443 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.506 -0.014 2.406 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.958 0.883 4.384 1.00 0.00 N ATOM 0 H GLN A 45 -10.101 -1.154 5.279 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.883 -2.942 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.110 0.057 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.575 -0.727 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.246 -2.090 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.773 -1.326 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.390 0.823 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.614 1.655 4.264 1.00 0.00 H new ATOM 713 N LEU A 46 -8.926 -2.674 1.642 1.00 0.00 N ATOM 714 CA LEU A 46 -7.794 -2.569 0.727 1.00 0.00 C ATOM 715 C LEU A 46 -8.330 -2.502 -0.703 1.00 0.00 C ATOM 716 O LEU A 46 -9.117 -3.356 -1.107 1.00 0.00 O ATOM 717 CB LEU A 46 -6.863 -3.785 0.913 1.00 0.00 C ATOM 718 CG LEU A 46 -5.381 -3.572 0.544 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.206 -3.292 -0.947 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.783 -2.445 1.384 1.00 0.00 C ATOM 0 H LEU A 46 -9.477 -3.524 1.523 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.217 -1.668 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.914 -4.099 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.251 -4.608 0.312 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.845 -4.495 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.149 -3.147 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.585 -4.136 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.759 -2.392 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.736 -2.305 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.332 -1.522 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.853 -2.702 2.441 1.00 0.00 H new ATOM 732 N GLU A 47 -7.925 -1.481 -1.457 1.00 0.00 N ATOM 733 CA GLU A 47 -8.434 -1.284 -2.813 1.00 0.00 C ATOM 734 C GLU A 47 -7.618 -2.069 -3.835 1.00 0.00 C ATOM 735 O GLU A 47 -6.390 -1.978 -3.871 1.00 0.00 O ATOM 736 CB GLU A 47 -8.436 0.204 -3.189 1.00 0.00 C ATOM 737 CG GLU A 47 -9.234 0.504 -4.455 1.00 0.00 C ATOM 738 CD GLU A 47 -9.364 1.991 -4.730 1.00 0.00 C ATOM 739 OE1 GLU A 47 -10.251 2.635 -4.131 1.00 0.00 O ATOM 740 OE2 GLU A 47 -8.578 2.523 -5.538 1.00 0.00 O ATOM 0 H GLU A 47 -7.249 -0.780 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.458 -1.656 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.850 0.780 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.408 0.538 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.751 0.023 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.229 0.068 -4.364 1.00 0.00 H new ATOM 747 N LEU A 48 -8.317 -2.842 -4.658 1.00 0.00 N ATOM 748 CA LEU A 48 -7.703 -3.587 -5.750 1.00 0.00 C ATOM 749 C LEU A 48 -7.910 -2.839 -7.069 1.00 0.00 C ATOM 750 O LEU A 48 -9.048 -2.579 -7.462 1.00 0.00 O ATOM 751 CB LEU A 48 -8.312 -4.997 -5.842 1.00 0.00 C ATOM 752 CG LEU A 48 -7.909 -5.977 -4.720 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.390 -6.065 -4.591 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.536 -5.577 -3.389 1.00 0.00 C ATOM 0 H LEU A 48 -9.326 -2.970 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.634 -3.681 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.398 -4.904 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.027 -5.433 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.287 -6.963 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.132 -6.762 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.965 -6.416 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.987 -5.080 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.235 -6.285 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.200 -4.577 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.622 -5.582 -3.482 1.00 0.00 H new ATOM 766 N PRO A 49 -6.815 -2.492 -7.782 1.00 0.00 N ATOM 767 CA PRO A 49 -6.873 -1.710 -9.031 1.00 0.00 C ATOM 768 C PRO A 49 -7.385 -2.523 -10.233 1.00 0.00 C ATOM 769 O PRO A 49 -6.889 -2.363 -11.348 1.00 0.00 O ATOM 770 CB PRO A 49 -5.405 -1.274 -9.254 1.00 0.00 C ATOM 771 CG PRO A 49 -4.670 -1.655 -8.007 1.00 0.00 C ATOM 772 CD PRO A 49 -5.427 -2.812 -7.422 1.00 0.00 C ATOM 0 HA PRO A 49 -7.574 -0.879 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.978 -1.770 -10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.339 -0.201 -9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.640 -1.934 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.629 -0.821 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.106 -3.764 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.293 -2.882 -6.343 1.00 0.00 H new ATOM 780 N ALA A 50 -8.384 -3.373 -9.997 1.00 0.00 N ATOM 781 CA ALA A 50 -9.021 -4.169 -11.050 1.00 0.00 C ATOM 782 C ALA A 50 -8.004 -4.942 -11.894 1.00 0.00 C ATOM 783 O ALA A 50 -7.793 -4.640 -13.073 1.00 0.00 O ATOM 784 CB ALA A 50 -9.897 -3.284 -11.933 1.00 0.00 C ATOM 0 H ALA A 50 -8.776 -3.531 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.650 -4.910 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.362 -3.891 -12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.672 -2.817 -11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.284 -2.511 -12.396 1.00 0.00 H new ATOM 790 N MET A 51 -7.363 -5.930 -11.280 1.00 0.00 N ATOM 791 CA MET A 51 -6.422 -6.797 -11.989 1.00 0.00 C ATOM 792 C MET A 51 -7.072 -8.152 -12.260 1.00 0.00 C ATOM 793 O MET A 51 -8.205 -8.397 -11.834 1.00 0.00 O ATOM 794 CB MET A 51 -5.132 -6.978 -11.177 1.00 0.00 C ATOM 795 CG MET A 51 -4.405 -5.672 -10.879 1.00 0.00 C ATOM 796 SD MET A 51 -3.943 -4.778 -12.376 1.00 0.00 S ATOM 797 CE MET A 51 -3.157 -3.323 -11.679 1.00 0.00 C ATOM 0 H MET A 51 -7.476 -6.153 -10.291 1.00 0.00 H new ATOM 0 HA MET A 51 -6.163 -6.329 -12.938 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.372 -7.472 -10.236 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.460 -7.641 -11.722 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.043 -5.038 -10.264 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.509 -5.884 -10.296 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.613 -2.427 -12.100 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.287 -3.323 -10.597 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.093 -3.335 -11.917 1.00 0.00 H new ATOM 807 N ALA A 52 -6.357 -9.024 -12.962 1.00 0.00 N ATOM 808 CA ALA A 52 -6.876 -10.341 -13.320 1.00 0.00 C ATOM 809 C ALA A 52 -7.161 -11.183 -12.075 1.00 0.00 C ATOM 810 O ALA A 52 -6.250 -11.505 -11.306 1.00 0.00 O ATOM 811 CB ALA A 52 -5.896 -11.063 -14.237 1.00 0.00 C ATOM 0 H ALA A 52 -5.411 -8.842 -13.297 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.818 -10.199 -13.850 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.295 -12.044 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.750 -10.479 -15.146 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.941 -11.184 -13.726 1.00 0.00 H new ATOM 817 N ALA A 53 -8.429 -11.537 -11.884 1.00 0.00 N ATOM 818 CA ALA A 53 -8.839 -12.363 -10.753 1.00 0.00 C ATOM 819 C ALA A 53 -8.426 -13.814 -10.975 1.00 0.00 C ATOM 820 O ALA A 53 -8.165 -14.550 -10.024 1.00 0.00 O ATOM 821 CB ALA A 53 -10.347 -12.261 -10.537 1.00 0.00 C ATOM 0 H ALA A 53 -9.193 -11.263 -12.501 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.338 -11.997 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.636 -12.883 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.616 -11.224 -10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.867 -12.603 -11.432 1.00 0.00 H new ATOM 827 N ASP A 54 -8.340 -14.203 -12.245 1.00 0.00 N ATOM 828 CA ASP A 54 -8.001 -15.578 -12.628 1.00 0.00 C ATOM 829 C ASP A 54 -6.492 -15.817 -12.612 1.00 0.00 C ATOM 830 O ASP A 54 -6.005 -16.781 -13.207 1.00 0.00 O ATOM 831 CB ASP A 54 -8.567 -15.895 -14.021 1.00 0.00 C ATOM 832 CG ASP A 54 -10.066 -16.149 -13.999 1.00 0.00 C ATOM 833 OD1 ASP A 54 -10.841 -15.174 -13.910 1.00 0.00 O ATOM 834 OD2 ASP A 54 -10.475 -17.328 -14.078 1.00 0.00 O ATOM 0 H ASP A 54 -8.502 -13.580 -13.036 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.451 -16.244 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.353 -15.065 -14.694 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.060 -16.771 -14.425 1.00 0.00 H new ATOM 839 N THR A 55 -5.756 -14.935 -11.941 1.00 0.00 N ATOM 840 CA THR A 55 -4.323 -15.118 -11.744 1.00 0.00 C ATOM 841 C THR A 55 -4.047 -16.425 -10.984 1.00 0.00 C ATOM 842 O THR A 55 -4.437 -16.566 -9.826 1.00 0.00 O ATOM 843 CB THR A 55 -3.726 -13.912 -10.976 1.00 0.00 C ATOM 844 OG1 THR A 55 -4.684 -13.428 -10.016 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.342 -12.782 -11.928 1.00 0.00 C ATOM 0 H THR A 55 -6.131 -14.083 -11.523 1.00 0.00 H new ATOM 0 HA THR A 55 -3.845 -15.179 -12.722 1.00 0.00 H new ATOM 0 HB THR A 55 -2.824 -14.248 -10.465 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.231 -12.725 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.926 -11.951 -11.358 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.598 -13.142 -12.639 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.227 -12.445 -12.468 1.00 0.00 H new ATOM 853 N PRO A 56 -3.365 -17.397 -11.623 1.00 0.00 N ATOM 854 CA PRO A 56 -3.171 -18.746 -11.057 1.00 0.00 C ATOM 855 C PRO A 56 -2.135 -18.789 -9.930 1.00 0.00 C ATOM 856 O PRO A 56 -1.737 -19.869 -9.489 1.00 0.00 O ATOM 857 CB PRO A 56 -2.686 -19.552 -12.267 1.00 0.00 C ATOM 858 CG PRO A 56 -1.956 -18.553 -13.099 1.00 0.00 C ATOM 859 CD PRO A 56 -2.721 -17.262 -12.949 1.00 0.00 C ATOM 0 HA PRO A 56 -4.082 -19.127 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.034 -20.372 -11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.520 -19.993 -12.813 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.926 -18.440 -12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.917 -18.866 -14.142 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.060 -16.396 -12.988 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.458 -17.137 -13.743 1.00 0.00 H new ATOM 867 N LEU A 57 -1.712 -17.621 -9.465 1.00 0.00 N ATOM 868 CA LEU A 57 -0.707 -17.518 -8.412 1.00 0.00 C ATOM 869 C LEU A 57 -1.018 -16.334 -7.493 1.00 0.00 C ATOM 870 O LEU A 57 -1.773 -15.433 -7.876 1.00 0.00 O ATOM 871 CB LEU A 57 0.703 -17.397 -9.037 1.00 0.00 C ATOM 872 CG LEU A 57 0.855 -16.395 -10.208 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.744 -14.944 -9.742 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.179 -16.620 -10.934 1.00 0.00 C ATOM 0 H LEU A 57 -2.053 -16.722 -9.804 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.730 -18.422 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.402 -17.111 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.006 -18.383 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 57 0.033 -16.578 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.857 -14.278 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.231 -14.783 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.527 -14.735 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.270 -15.908 -11.754 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.005 -16.478 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.209 -17.635 -11.330 1.00 0.00 H new ATOM 886 N PRO A 58 -0.467 -16.326 -6.260 1.00 0.00 N ATOM 887 CA PRO A 58 -0.620 -15.194 -5.343 1.00 0.00 C ATOM 888 C PRO A 58 0.117 -13.961 -5.869 1.00 0.00 C ATOM 889 O PRO A 58 1.334 -13.838 -5.720 1.00 0.00 O ATOM 890 CB PRO A 58 -0.006 -15.700 -4.028 1.00 0.00 C ATOM 891 CG PRO A 58 0.944 -16.772 -4.443 1.00 0.00 C ATOM 892 CD PRO A 58 0.335 -17.415 -5.661 1.00 0.00 C ATOM 0 HA PRO A 58 -1.658 -14.882 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.508 -14.899 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.772 -16.088 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.926 -16.357 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.083 -17.501 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.099 -17.776 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.285 -18.271 -5.396 1.00 0.00 H new ATOM 900 N ILE A 59 -0.628 -13.075 -6.515 1.00 0.00 N ATOM 901 CA ILE A 59 -0.056 -11.891 -7.149 1.00 0.00 C ATOM 902 C ILE A 59 -0.001 -10.719 -6.168 1.00 0.00 C ATOM 903 O ILE A 59 -0.915 -10.519 -5.358 1.00 0.00 O ATOM 904 CB ILE A 59 -0.861 -11.491 -8.417 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.311 -10.190 -9.035 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.348 -11.358 -8.097 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.047 -9.739 -10.281 1.00 0.00 C ATOM 0 H ILE A 59 -1.640 -13.154 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 59 0.961 -12.139 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.744 -12.286 -9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.361 -9.397 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.742 -10.333 -9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.891 -11.077 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.727 -12.311 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.489 -10.591 -7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.600 -8.818 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.976 -10.513 -11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.095 -9.562 -10.040 1.00 0.00 H new ATOM 919 N THR A 60 1.084 -9.957 -6.240 1.00 0.00 N ATOM 920 CA THR A 60 1.291 -8.804 -5.378 1.00 0.00 C ATOM 921 C THR A 60 1.126 -7.509 -6.172 1.00 0.00 C ATOM 922 O THR A 60 1.762 -7.319 -7.214 1.00 0.00 O ATOM 923 CB THR A 60 2.697 -8.848 -4.740 1.00 0.00 C ATOM 924 OG1 THR A 60 2.865 -10.077 -4.021 1.00 0.00 O ATOM 925 CG2 THR A 60 2.916 -7.672 -3.798 1.00 0.00 C ATOM 0 H THR A 60 1.845 -10.123 -6.899 1.00 0.00 H new ATOM 0 HA THR A 60 0.543 -8.834 -4.586 1.00 0.00 H new ATOM 0 HB THR A 60 3.433 -8.784 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.759 -10.102 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.915 -7.733 -3.366 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.817 -6.739 -4.352 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.173 -7.701 -3.001 1.00 0.00 H new ATOM 933 N VAL A 61 0.274 -6.619 -5.679 1.00 0.00 N ATOM 934 CA VAL A 61 -0.002 -5.348 -6.346 1.00 0.00 C ATOM 935 C VAL A 61 0.193 -4.184 -5.378 1.00 0.00 C ATOM 936 O VAL A 61 0.501 -4.390 -4.200 1.00 0.00 O ATOM 937 CB VAL A 61 -1.443 -5.309 -6.922 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.631 -6.385 -7.992 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.481 -5.463 -5.806 1.00 0.00 C ATOM 0 H VAL A 61 -0.244 -6.754 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 61 0.701 -5.254 -7.173 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.593 -4.336 -7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.648 -6.338 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.924 -6.218 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.455 -7.368 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.483 -5.433 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.332 -6.416 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.368 -4.650 -5.089 1.00 0.00 H new ATOM 949 N GLU A 62 0.028 -2.962 -5.881 1.00 0.00 N ATOM 950 CA GLU A 62 0.114 -1.771 -5.044 1.00 0.00 C ATOM 951 C GLU A 62 -1.115 -1.680 -4.146 1.00 0.00 C ATOM 952 O GLU A 62 -2.248 -1.806 -4.617 1.00 0.00 O ATOM 953 CB GLU A 62 0.221 -0.506 -5.904 1.00 0.00 C ATOM 954 CG GLU A 62 0.413 0.772 -5.090 1.00 0.00 C ATOM 955 CD GLU A 62 0.316 2.037 -5.931 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.920 2.080 -7.024 1.00 0.00 O ATOM 957 OE2 GLU A 62 -0.371 2.992 -5.505 1.00 0.00 O ATOM 0 H GLU A 62 -0.166 -2.773 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 62 1.010 -1.848 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.057 -0.616 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.681 -0.410 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.338 0.809 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.387 0.742 -4.602 1.00 0.00 H new ATOM 964 N ALA A 63 -0.883 -1.466 -2.858 1.00 0.00 N ATOM 965 CA ALA A 63 -1.960 -1.357 -1.884 1.00 0.00 C ATOM 966 C ALA A 63 -2.459 0.078 -1.787 1.00 0.00 C ATOM 967 O ALA A 63 -1.686 1.025 -1.945 1.00 0.00 O ATOM 968 CB ALA A 63 -1.480 -1.839 -0.524 1.00 0.00 C ATOM 0 H ALA A 63 0.051 -1.364 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.788 -1.984 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.291 -1.754 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.166 -2.880 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.638 -1.228 -0.198 1.00 0.00 H new ATOM 974 N ARG A 64 -3.754 0.234 -1.531 1.00 0.00 N ATOM 975 CA ARG A 64 -4.348 1.549 -1.331 1.00 0.00 C ATOM 976 C ARG A 64 -5.464 1.458 -0.291 1.00 0.00 C ATOM 977 O ARG A 64 -6.482 0.801 -0.511 1.00 0.00 O ATOM 978 CB ARG A 64 -4.869 2.111 -2.662 1.00 0.00 C ATOM 979 CG ARG A 64 -5.327 3.569 -2.586 1.00 0.00 C ATOM 980 CD ARG A 64 -5.256 4.255 -3.948 1.00 0.00 C ATOM 981 NE ARG A 64 -6.007 3.530 -4.977 1.00 0.00 N ATOM 982 CZ ARG A 64 -5.519 3.194 -6.175 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.269 3.501 -6.507 1.00 0.00 N ATOM 984 NH2 ARG A 64 -6.290 2.554 -7.040 1.00 0.00 N ATOM 0 H ARG A 64 -4.415 -0.540 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.587 2.235 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.083 2.027 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.702 1.497 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.350 3.610 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.704 4.109 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.647 5.269 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.214 4.341 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.968 3.264 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.673 3.997 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.906 3.240 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.251 2.320 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.923 2.295 -7.956 1.00 0.00 H new ATOM 998 N LYS A 65 -5.241 2.103 0.848 1.00 0.00 N ATOM 999 CA LYS A 65 -6.152 2.036 1.989 1.00 0.00 C ATOM 1000 C LYS A 65 -7.326 3.003 1.824 1.00 0.00 C ATOM 1001 O LYS A 65 -7.153 4.142 1.377 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.371 2.360 3.275 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.217 2.473 4.546 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.940 1.170 4.887 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.579 1.225 6.273 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.538 2.356 6.409 1.00 0.00 N ATOM 0 H LYS A 65 -4.422 2.689 1.009 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.564 1.029 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.618 1.586 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.838 3.299 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.576 2.758 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.951 3.269 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.709 0.974 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.234 0.340 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.097 0.286 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.798 1.321 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.069 2.256 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.015 3.255 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.200 2.348 5.607 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.522 2.532 2.170 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.702 3.388 2.232 1.00 0.00 C ATOM 1022 C LEU A 66 -9.924 3.814 3.681 1.00 0.00 C ATOM 1023 O LEU A 66 -9.582 4.960 4.026 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.957 2.675 1.694 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.910 2.251 0.215 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.011 1.034 0.020 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.318 1.978 -0.309 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.394 2.975 4.477 1.00 0.00 O ATOM 0 H LEU A 66 -8.699 1.557 2.413 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.531 4.260 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.134 1.787 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.814 3.334 1.836 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.484 3.073 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.997 0.757 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.999 1.273 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.394 0.201 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.265 1.680 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.774 1.178 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.921 2.881 -0.219 1.00 0.00 H new TER 1040 LEU A 66