USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 64 HIS :FLIP no HD1:sc= -17.4! C(o=-18!,f=-18!) USER MOD Set 1.2: B 5 SER OG : rot -100:sc= -0.055 USER MOD Single : A 1 ARG N :NH3+ -105:sc= -0.0463 (180deg=-1.17) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= 0.929 (180deg=-0.968) USER MOD Single : A 17 SER OG : rot 80:sc= -1.19 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -172:sc= -15.2! (180deg=-15.4!) USER MOD Single : A 31 SER OG : rot -132:sc= 0.192 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.00159 (180deg=0.00155) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.043 F(o=-1.4,f=-0.043) USER MOD Single : A 42 THR OG1 : rot -24:sc= 1.04 USER MOD Single : A 53 SER OG : rot 150:sc= -2.78! USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0874 F(o=-0.71,f=-0.087) USER MOD Single : A 60 SER OG : rot 180:sc= -0.237! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00802 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0.15! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 93:sc= 0.705 USER MOD Single : A 85 MET CE :methyl -150:sc= -0.751 (180deg=-1.51!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -105:sc= 0.366 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.952 -18.444 7.696 1.00 0.00 N ATOM 2 CA ARG A 1 -6.492 -17.211 8.401 1.00 0.00 C ATOM 3 C ARG A 1 -4.966 -17.200 8.511 1.00 0.00 C ATOM 4 O ARG A 1 -4.297 -18.140 8.133 1.00 0.00 O ATOM 5 CB ARG A 1 -7.130 -17.273 9.789 1.00 0.00 C ATOM 6 CG ARG A 1 -6.620 -18.507 10.537 1.00 0.00 C ATOM 7 CD ARG A 1 -7.812 -19.304 11.069 1.00 0.00 C ATOM 8 NE ARG A 1 -8.516 -18.365 11.987 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.636 -18.722 12.551 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.645 -19.690 13.427 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.747 -18.112 12.240 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.243 -18.202 6.727 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.175 -19.134 7.662 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.759 -18.856 8.207 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.779 -16.306 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.890 -16.370 10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.216 -17.313 9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.021 -19.128 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.973 -18.206 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.464 -19.629 10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.485 -20.201 11.595 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.122 -17.443 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.776 -20.166 13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.521 -19.970 13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.739 -17.356 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.623 -18.391 12.681 1.00 0.00 H new ATOM 27 N ARG A 2 -4.414 -16.135 9.022 1.00 0.00 N ATOM 28 CA ARG A 2 -2.931 -16.048 9.153 1.00 0.00 C ATOM 29 C ARG A 2 -2.556 -15.106 10.302 1.00 0.00 C ATOM 30 O ARG A 2 -3.380 -14.373 10.812 1.00 0.00 O ATOM 31 CB ARG A 2 -2.454 -15.470 7.816 1.00 0.00 C ATOM 32 CG ARG A 2 -2.315 -16.589 6.790 1.00 0.00 C ATOM 33 CD ARG A 2 -0.966 -16.457 6.083 1.00 0.00 C ATOM 34 NE ARG A 2 0.046 -16.782 7.128 1.00 0.00 N ATOM 35 CZ ARG A 2 0.566 -17.978 7.185 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.052 -18.529 6.107 1.00 0.00 N ATOM 37 NH2 ARG A 2 0.595 -18.624 8.318 1.00 0.00 N ATOM 0 H ARG A 2 -4.926 -15.319 9.356 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.477 -17.015 9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.163 -14.723 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.497 -14.965 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.389 -17.560 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.126 -16.536 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.894 -17.141 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.821 -15.450 5.692 1.00 0.00 H new ATOM 0 HE ARG A 2 0.332 -16.069 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.026 -18.025 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.459 -19.463 6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.211 -18.195 9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.001 -19.559 8.362 1.00 0.00 H new ATOM 51 N ARG A 3 -1.312 -15.105 10.698 1.00 0.00 N ATOM 52 CA ARG A 3 -0.876 -14.196 11.798 1.00 0.00 C ATOM 53 C ARG A 3 0.449 -13.533 11.414 1.00 0.00 C ATOM 54 O ARG A 3 1.443 -14.198 11.198 1.00 0.00 O ATOM 55 CB ARG A 3 -0.693 -15.097 13.020 1.00 0.00 C ATOM 56 CG ARG A 3 -1.343 -14.438 14.238 1.00 0.00 C ATOM 57 CD ARG A 3 -1.341 -15.419 15.413 1.00 0.00 C ATOM 58 NE ARG A 3 -2.480 -14.992 16.272 1.00 0.00 N ATOM 59 CZ ARG A 3 -2.789 -15.683 17.335 1.00 0.00 C ATOM 60 NH1 ARG A 3 -3.451 -16.802 17.216 1.00 0.00 N ATOM 61 NH2 ARG A 3 -2.440 -15.255 18.517 1.00 0.00 N ATOM 0 H ARG A 3 -0.577 -15.695 10.307 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.596 -13.401 11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.143 -16.073 12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.368 -15.265 13.206 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.801 -13.532 14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.364 -14.140 14.001 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.468 -16.446 15.070 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.398 -15.380 15.959 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.018 -14.160 16.030 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.726 -17.136 16.292 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.693 -17.342 18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.925 -14.379 18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.682 -15.796 19.347 1.00 0.00 H new ATOM 75 N VAL A 4 0.476 -12.232 11.315 1.00 0.00 N ATOM 76 CA VAL A 4 1.744 -11.551 10.930 1.00 0.00 C ATOM 77 C VAL A 4 2.141 -10.512 11.982 1.00 0.00 C ATOM 78 O VAL A 4 1.356 -9.666 12.363 1.00 0.00 O ATOM 79 CB VAL A 4 1.436 -10.876 9.595 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.688 -10.160 9.082 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.004 -11.935 8.577 1.00 0.00 C ATOM 0 H VAL A 4 -0.319 -11.615 11.483 1.00 0.00 H new ATOM 0 HA VAL A 4 2.578 -12.249 10.855 1.00 0.00 H new ATOM 0 HB VAL A 4 0.633 -10.151 9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.467 -9.679 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.999 -9.407 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.491 -10.884 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.784 -11.455 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.808 -12.659 8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.113 -12.446 8.940 1.00 0.00 H new ATOM 91 N THR A 5 3.359 -10.568 12.445 1.00 0.00 N ATOM 92 CA THR A 5 3.818 -9.581 13.465 1.00 0.00 C ATOM 93 C THR A 5 4.979 -8.758 12.903 1.00 0.00 C ATOM 94 O THR A 5 6.027 -9.282 12.582 1.00 0.00 O ATOM 95 CB THR A 5 4.281 -10.422 14.664 1.00 0.00 C ATOM 96 OG1 THR A 5 3.150 -11.020 15.282 1.00 0.00 O ATOM 97 CG2 THR A 5 5.009 -9.530 15.682 1.00 0.00 C ATOM 0 H THR A 5 4.058 -11.255 12.161 1.00 0.00 H new ATOM 0 HA THR A 5 3.032 -8.880 13.747 1.00 0.00 H new ATOM 0 HB THR A 5 4.965 -11.197 14.317 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.442 -11.559 16.047 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.334 -10.135 16.529 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.878 -9.072 15.209 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.333 -8.750 16.031 1.00 0.00 H new ATOM 105 N VAL A 6 4.806 -7.472 12.799 1.00 0.00 N ATOM 106 CA VAL A 6 5.910 -6.623 12.274 1.00 0.00 C ATOM 107 C VAL A 6 6.417 -5.700 13.379 1.00 0.00 C ATOM 108 O VAL A 6 5.756 -4.762 13.777 1.00 0.00 O ATOM 109 CB VAL A 6 5.303 -5.824 11.124 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.366 -4.894 10.537 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.820 -6.792 10.048 1.00 0.00 C ATOM 0 H VAL A 6 3.953 -6.973 13.053 1.00 0.00 H new ATOM 0 HA VAL A 6 6.762 -7.211 11.933 1.00 0.00 H new ATOM 0 HB VAL A 6 4.464 -5.230 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.935 -4.322 9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.718 -4.210 11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.203 -5.486 10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.385 -6.230 9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.662 -7.380 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.068 -7.459 10.470 1.00 0.00 H new ATOM 121 N ARG A 7 7.585 -5.969 13.880 1.00 0.00 N ATOM 122 CA ARG A 7 8.143 -5.122 14.969 1.00 0.00 C ATOM 123 C ARG A 7 8.407 -3.707 14.450 1.00 0.00 C ATOM 124 O ARG A 7 9.287 -3.484 13.642 1.00 0.00 O ATOM 125 CB ARG A 7 9.446 -5.802 15.374 1.00 0.00 C ATOM 126 CG ARG A 7 9.211 -6.677 16.609 1.00 0.00 C ATOM 127 CD ARG A 7 10.559 -7.106 17.192 1.00 0.00 C ATOM 128 NE ARG A 7 10.645 -8.568 16.921 1.00 0.00 N ATOM 129 CZ ARG A 7 11.537 -9.026 16.085 1.00 0.00 C ATOM 130 NH1 ARG A 7 12.723 -9.361 16.515 1.00 0.00 N ATOM 131 NH2 ARG A 7 11.244 -9.148 14.819 1.00 0.00 N ATOM 0 H ARG A 7 8.181 -6.741 13.583 1.00 0.00 H new ATOM 0 HA ARG A 7 7.460 -5.027 15.813 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.820 -6.411 14.551 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.208 -5.052 15.588 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.639 -6.126 17.355 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.623 -7.554 16.340 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.382 -6.568 16.722 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.611 -6.898 18.261 1.00 0.00 H new ATOM 0 HE ARG A 7 10.007 -9.212 17.389 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.953 -9.265 17.504 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.420 -9.719 15.862 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.318 -8.885 14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.941 -9.506 14.166 1.00 0.00 H new ATOM 145 N LYS A 8 7.645 -2.751 14.905 1.00 0.00 N ATOM 146 CA LYS A 8 7.841 -1.351 14.435 1.00 0.00 C ATOM 147 C LYS A 8 8.049 -0.411 15.627 1.00 0.00 C ATOM 148 O LYS A 8 7.539 -0.639 16.706 1.00 0.00 O ATOM 149 CB LYS A 8 6.550 -1.003 13.694 1.00 0.00 C ATOM 150 CG LYS A 8 6.595 0.459 13.247 1.00 0.00 C ATOM 151 CD LYS A 8 6.047 0.573 11.823 1.00 0.00 C ATOM 152 CE LYS A 8 4.891 1.576 11.802 1.00 0.00 C ATOM 153 NZ LYS A 8 5.444 2.781 11.121 1.00 0.00 N ATOM 0 H LYS A 8 6.894 -2.879 15.583 1.00 0.00 H new ATOM 0 HA LYS A 8 8.720 -1.248 13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.428 -1.655 12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.690 -1.169 14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.006 1.076 13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.619 0.831 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.835 0.896 11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.704 -0.401 11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.031 1.177 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.554 1.812 12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.756 3.132 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.632 3.522 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.330 2.530 10.637 1.00 0.00 H new ATOM 167 N ALA A 9 8.794 0.643 15.436 1.00 0.00 N ATOM 168 CA ALA A 9 9.036 1.601 16.555 1.00 0.00 C ATOM 169 C ALA A 9 8.239 2.890 16.327 1.00 0.00 C ATOM 170 O ALA A 9 7.261 2.905 15.606 1.00 0.00 O ATOM 171 CB ALA A 9 10.539 1.878 16.516 1.00 0.00 C ATOM 0 H ALA A 9 9.246 0.883 14.554 1.00 0.00 H new ATOM 0 HA ALA A 9 8.722 1.204 17.520 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.801 2.577 17.311 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.085 0.945 16.659 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.804 2.310 15.551 1.00 0.00 H new ATOM 177 N ASP A 10 8.647 3.972 16.936 1.00 0.00 N ATOM 178 CA ASP A 10 7.909 5.255 16.751 1.00 0.00 C ATOM 179 C ASP A 10 8.498 6.045 15.577 1.00 0.00 C ATOM 180 O ASP A 10 8.320 7.243 15.473 1.00 0.00 O ATOM 181 CB ASP A 10 8.103 6.016 18.063 1.00 0.00 C ATOM 182 CG ASP A 10 6.739 6.324 18.681 1.00 0.00 C ATOM 183 OD1 ASP A 10 6.145 5.417 19.242 1.00 0.00 O ATOM 184 OD2 ASP A 10 6.309 7.463 18.585 1.00 0.00 O ATOM 0 H ASP A 10 9.458 4.022 17.552 1.00 0.00 H new ATOM 0 HA ASP A 10 6.855 5.095 16.525 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.702 5.423 18.754 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.649 6.942 17.881 1.00 0.00 H new ATOM 189 N ALA A 11 9.195 5.387 14.691 1.00 0.00 N ATOM 190 CA ALA A 11 9.791 6.102 13.527 1.00 0.00 C ATOM 191 C ALA A 11 10.123 5.105 12.412 1.00 0.00 C ATOM 192 O ALA A 11 10.914 4.200 12.591 1.00 0.00 O ATOM 193 CB ALA A 11 11.067 6.747 14.068 1.00 0.00 C ATOM 0 H ALA A 11 9.378 4.384 14.723 1.00 0.00 H new ATOM 0 HA ALA A 11 9.112 6.841 13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.565 7.294 13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.813 7.435 14.875 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.733 5.973 14.448 1.00 0.00 H new ATOM 199 N GLY A 12 9.523 5.260 11.262 1.00 0.00 N ATOM 200 CA GLY A 12 9.806 4.315 10.144 1.00 0.00 C ATOM 201 C GLY A 12 8.483 3.896 9.482 1.00 0.00 C ATOM 202 O GLY A 12 7.724 3.132 10.044 1.00 0.00 O ATOM 0 H GLY A 12 8.851 5.998 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.459 4.788 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.332 3.437 10.520 1.00 0.00 H new ATOM 206 N GLY A 13 8.191 4.384 8.296 1.00 0.00 N ATOM 207 CA GLY A 13 6.912 3.999 7.625 1.00 0.00 C ATOM 208 C GLY A 13 6.755 2.474 7.640 1.00 0.00 C ATOM 209 O GLY A 13 7.718 1.743 7.766 1.00 0.00 O ATOM 0 H GLY A 13 8.781 5.028 7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.069 4.465 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.905 4.364 6.598 1.00 0.00 H new ATOM 213 N LEU A 14 5.549 1.991 7.521 1.00 0.00 N ATOM 214 CA LEU A 14 5.334 0.515 7.537 1.00 0.00 C ATOM 215 C LEU A 14 5.327 -0.049 6.110 1.00 0.00 C ATOM 216 O LEU A 14 5.430 -1.243 5.909 1.00 0.00 O ATOM 217 CB LEU A 14 3.965 0.327 8.190 1.00 0.00 C ATOM 218 CG LEU A 14 3.984 -0.907 9.093 1.00 0.00 C ATOM 219 CD1 LEU A 14 2.955 -0.734 10.212 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.631 -2.146 8.269 1.00 0.00 C ATOM 0 H LEU A 14 4.704 2.552 7.414 1.00 0.00 H new ATOM 0 HA LEU A 14 6.126 -0.007 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.706 1.211 8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.199 0.215 7.423 1.00 0.00 H new ATOM 0 HG LEU A 14 4.978 -1.026 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.967 -1.613 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.202 0.150 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.962 -0.616 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.644 -3.026 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.637 -2.026 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.360 -2.270 7.468 1.00 0.00 H new ATOM 232 N GLY A 15 5.199 0.793 5.118 1.00 0.00 N ATOM 233 CA GLY A 15 5.177 0.286 3.715 1.00 0.00 C ATOM 234 C GLY A 15 4.026 -0.709 3.570 1.00 0.00 C ATOM 235 O GLY A 15 4.207 -1.904 3.683 1.00 0.00 O ATOM 0 H GLY A 15 5.109 1.804 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.051 1.113 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.125 -0.195 3.472 1.00 0.00 H new ATOM 239 N ILE A 16 2.837 -0.224 3.342 1.00 0.00 N ATOM 240 CA ILE A 16 1.666 -1.144 3.218 1.00 0.00 C ATOM 241 C ILE A 16 0.413 -0.349 2.834 1.00 0.00 C ATOM 242 O ILE A 16 -0.041 0.504 3.569 1.00 0.00 O ATOM 243 CB ILE A 16 1.510 -1.777 4.617 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.155 -2.487 4.734 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.594 -0.693 5.697 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.206 -3.491 5.884 1.00 0.00 C ATOM 0 H ILE A 16 2.623 0.768 3.236 1.00 0.00 H new ATOM 0 HA ILE A 16 1.807 -1.901 2.446 1.00 0.00 H new ATOM 0 HB ILE A 16 2.314 -2.500 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.636 -1.758 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.082 -2.998 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.483 -1.150 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.561 -0.193 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.798 0.036 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.756 -3.996 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.987 -4.227 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.424 -2.967 6.815 1.00 0.00 H new ATOM 258 N SER A 17 -0.154 -0.627 1.692 1.00 0.00 N ATOM 259 CA SER A 17 -1.377 0.114 1.280 1.00 0.00 C ATOM 260 C SER A 17 -2.600 -0.803 1.362 1.00 0.00 C ATOM 261 O SER A 17 -2.786 -1.684 0.547 1.00 0.00 O ATOM 262 CB SER A 17 -1.114 0.552 -0.163 1.00 0.00 C ATOM 263 OG SER A 17 -2.341 0.610 -0.879 1.00 0.00 O ATOM 0 H SER A 17 0.175 -1.331 1.031 1.00 0.00 H new ATOM 0 HA SER A 17 -1.582 0.968 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.629 1.528 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.433 -0.148 -0.647 1.00 0.00 H new ATOM 0 HG SER A 17 -2.805 1.446 -0.665 1.00 0.00 H new ATOM 269 N ILE A 18 -3.433 -0.599 2.344 1.00 0.00 N ATOM 270 CA ILE A 18 -4.643 -1.453 2.484 1.00 0.00 C ATOM 271 C ILE A 18 -5.765 -0.930 1.593 1.00 0.00 C ATOM 272 O ILE A 18 -5.907 0.257 1.398 1.00 0.00 O ATOM 273 CB ILE A 18 -5.038 -1.347 3.958 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.318 0.113 4.317 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.897 -1.872 4.831 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.167 0.164 5.587 1.00 0.00 C ATOM 0 H ILE A 18 -3.327 0.124 3.056 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.454 -2.484 2.186 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.936 -1.940 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.381 0.649 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.838 0.608 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.178 -1.797 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.699 -2.915 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.000 -1.279 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.370 1.203 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.109 -0.358 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.629 -0.317 6.404 1.00 0.00 H new ATOM 288 N LYS A 19 -6.573 -1.800 1.054 1.00 0.00 N ATOM 289 CA LYS A 19 -7.689 -1.324 0.191 1.00 0.00 C ATOM 290 C LYS A 19 -9.002 -1.956 0.675 1.00 0.00 C ATOM 291 O LYS A 19 -9.000 -3.029 1.246 1.00 0.00 O ATOM 292 CB LYS A 19 -7.339 -1.793 -1.233 1.00 0.00 C ATOM 293 CG LYS A 19 -7.446 -3.322 -1.343 1.00 0.00 C ATOM 294 CD LYS A 19 -7.439 -3.724 -2.819 1.00 0.00 C ATOM 295 CE LYS A 19 -8.879 -3.810 -3.330 1.00 0.00 C ATOM 296 NZ LYS A 19 -8.793 -3.452 -4.775 1.00 0.00 N ATOM 0 H LYS A 19 -6.510 -2.811 1.172 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.816 -0.242 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.011 -1.324 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.328 -1.475 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.614 -3.795 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.361 -3.670 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.877 -2.995 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.940 -4.685 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.288 -4.811 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.532 -3.124 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.742 -3.488 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.407 -2.491 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.170 -4.127 -5.263 1.00 0.00 H new ATOM 310 N GLY A 20 -10.119 -1.321 0.451 1.00 0.00 N ATOM 311 CA GLY A 20 -11.406 -1.927 0.902 1.00 0.00 C ATOM 312 C GLY A 20 -12.202 -0.924 1.735 1.00 0.00 C ATOM 313 O GLY A 20 -12.018 0.272 1.636 1.00 0.00 O ATOM 0 H GLY A 20 -10.198 -0.419 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.992 -2.238 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.207 -2.822 1.491 1.00 0.00 H new ATOM 317 N GLY A 21 -13.093 -1.412 2.553 1.00 0.00 N ATOM 318 CA GLY A 21 -13.915 -0.503 3.397 1.00 0.00 C ATOM 319 C GLY A 21 -15.140 -1.262 3.906 1.00 0.00 C ATOM 320 O GLY A 21 -15.800 -1.965 3.166 1.00 0.00 O ATOM 0 H GLY A 21 -13.287 -2.406 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.326 -0.135 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.226 0.368 2.819 1.00 0.00 H new ATOM 324 N ARG A 22 -15.446 -1.128 5.166 1.00 0.00 N ATOM 325 CA ARG A 22 -16.624 -1.845 5.728 1.00 0.00 C ATOM 326 C ARG A 22 -17.906 -1.447 4.981 1.00 0.00 C ATOM 327 O ARG A 22 -18.912 -2.125 5.058 1.00 0.00 O ATOM 328 CB ARG A 22 -16.677 -1.413 7.197 1.00 0.00 C ATOM 329 CG ARG A 22 -17.849 -2.101 7.900 1.00 0.00 C ATOM 330 CD ARG A 22 -17.325 -3.278 8.724 1.00 0.00 C ATOM 331 NE ARG A 22 -17.872 -4.489 8.049 1.00 0.00 N ATOM 332 CZ ARG A 22 -17.109 -5.203 7.266 1.00 0.00 C ATOM 333 NH1 ARG A 22 -15.887 -5.487 7.628 1.00 0.00 N ATOM 334 NH2 ARG A 22 -17.567 -5.630 6.122 1.00 0.00 N ATOM 0 H ARG A 22 -14.931 -0.552 5.832 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.541 -2.927 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.742 -1.670 7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.787 -0.331 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.367 -1.392 8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.574 -2.451 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.235 -3.294 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.661 -3.217 9.759 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.844 -4.760 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.529 -5.151 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.291 -6.045 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.521 -5.406 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.971 -6.188 5.510 1.00 0.00 H new ATOM 348 N GLU A 23 -17.884 -0.364 4.247 1.00 0.00 N ATOM 349 CA GLU A 23 -19.107 0.044 3.499 1.00 0.00 C ATOM 350 C GLU A 23 -19.313 -0.866 2.282 1.00 0.00 C ATOM 351 O GLU A 23 -20.375 -0.892 1.690 1.00 0.00 O ATOM 352 CB GLU A 23 -18.843 1.483 3.059 1.00 0.00 C ATOM 353 CG GLU A 23 -19.873 2.411 3.708 1.00 0.00 C ATOM 354 CD GLU A 23 -20.976 2.735 2.698 1.00 0.00 C ATOM 355 OE1 GLU A 23 -20.767 3.622 1.887 1.00 0.00 O ATOM 356 OE2 GLU A 23 -22.010 2.092 2.754 1.00 0.00 O ATOM 0 H GLU A 23 -17.078 0.250 4.135 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.008 -0.034 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.835 1.783 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.902 1.559 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.301 1.936 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.391 3.329 4.043 1.00 0.00 H new ATOM 363 N ASN A 24 -18.310 -1.616 1.905 1.00 0.00 N ATOM 364 CA ASN A 24 -18.455 -2.524 0.731 1.00 0.00 C ATOM 365 C ASN A 24 -18.169 -3.969 1.148 1.00 0.00 C ATOM 366 O ASN A 24 -17.732 -4.780 0.356 1.00 0.00 O ATOM 367 CB ASN A 24 -17.412 -2.040 -0.276 1.00 0.00 C ATOM 368 CG ASN A 24 -18.105 -1.258 -1.394 1.00 0.00 C ATOM 369 OD1 ASN A 24 -17.786 -1.422 -2.554 1.00 0.00 O ATOM 370 ND2 ASN A 24 -19.047 -0.407 -1.090 1.00 0.00 N ATOM 0 H ASN A 24 -17.397 -1.638 2.360 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.462 -2.505 0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.676 -1.408 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.872 -2.890 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.515 0.120 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.315 -0.269 -0.115 1.00 0.00 H new ATOM 377 N LYS A 25 -18.410 -4.297 2.390 1.00 0.00 N ATOM 378 CA LYS A 25 -18.152 -5.690 2.860 1.00 0.00 C ATOM 379 C LYS A 25 -16.722 -6.111 2.509 1.00 0.00 C ATOM 380 O LYS A 25 -16.487 -6.781 1.523 1.00 0.00 O ATOM 381 CB LYS A 25 -19.163 -6.554 2.109 1.00 0.00 C ATOM 382 CG LYS A 25 -20.568 -6.285 2.652 1.00 0.00 C ATOM 383 CD LYS A 25 -21.069 -7.520 3.402 1.00 0.00 C ATOM 384 CE LYS A 25 -21.480 -8.594 2.394 1.00 0.00 C ATOM 385 NZ LYS A 25 -21.610 -9.842 3.197 1.00 0.00 N ATOM 0 H LYS A 25 -18.774 -3.661 3.099 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.255 -5.787 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.125 -6.332 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.913 -7.609 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.553 -5.423 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.246 -6.043 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.288 -7.902 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.916 -7.256 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.420 -8.339 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.733 -8.705 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.890 -10.627 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.698 -10.063 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.333 -9.708 3.932 1.00 0.00 H new ATOM 399 N MET A 26 -15.764 -5.722 3.306 1.00 0.00 N ATOM 400 CA MET A 26 -14.352 -6.102 3.009 1.00 0.00 C ATOM 401 C MET A 26 -13.488 -5.981 4.276 1.00 0.00 C ATOM 402 O MET A 26 -13.404 -4.917 4.858 1.00 0.00 O ATOM 403 CB MET A 26 -13.893 -5.091 1.953 1.00 0.00 C ATOM 404 CG MET A 26 -13.432 -5.826 0.690 1.00 0.00 C ATOM 405 SD MET A 26 -11.641 -5.641 0.494 1.00 0.00 S ATOM 406 CE MET A 26 -11.155 -6.750 1.838 1.00 0.00 C ATOM 0 H MET A 26 -15.896 -5.160 4.147 1.00 0.00 H new ATOM 0 HA MET A 26 -14.264 -7.132 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.709 -4.410 1.710 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.079 -4.484 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.693 -6.882 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.946 -5.425 -0.184 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.079 -6.681 1.995 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.674 -6.463 2.752 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.419 -7.775 1.577 1.00 0.00 H new ATOM 416 N PRO A 27 -12.858 -7.070 4.662 1.00 0.00 N ATOM 417 CA PRO A 27 -11.981 -7.062 5.872 1.00 0.00 C ATOM 418 C PRO A 27 -10.669 -6.298 5.621 1.00 0.00 C ATOM 419 O PRO A 27 -9.602 -6.809 5.897 1.00 0.00 O ATOM 420 CB PRO A 27 -11.660 -8.539 6.088 1.00 0.00 C ATOM 421 CG PRO A 27 -11.803 -9.156 4.735 1.00 0.00 C ATOM 422 CD PRO A 27 -12.907 -8.403 4.035 1.00 0.00 C ATOM 0 HA PRO A 27 -12.466 -6.577 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.652 -8.673 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.344 -8.993 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.870 -9.085 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.047 -10.215 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.738 -8.348 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.876 -8.881 4.181 1.00 0.00 H new ATOM 430 N ILE A 28 -10.731 -5.087 5.114 1.00 0.00 N ATOM 431 CA ILE A 28 -9.474 -4.297 4.853 1.00 0.00 C ATOM 432 C ILE A 28 -8.383 -5.195 4.230 1.00 0.00 C ATOM 433 O ILE A 28 -7.586 -5.786 4.933 1.00 0.00 O ATOM 434 CB ILE A 28 -9.014 -3.784 6.227 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.201 -3.218 7.029 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.975 -2.681 6.030 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.913 -2.133 6.217 1.00 0.00 C ATOM 0 H ILE A 28 -11.597 -4.608 4.868 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.655 -3.482 4.152 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.584 -4.618 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.900 -4.018 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.848 -2.804 7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.646 -2.314 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.120 -3.080 5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.417 -1.862 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.751 -1.739 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.214 -1.327 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.282 -2.560 5.284 1.00 0.00 H new ATOM 449 N LEU A 29 -8.354 -5.325 2.927 1.00 0.00 N ATOM 450 CA LEU A 29 -7.333 -6.210 2.286 1.00 0.00 C ATOM 451 C LEU A 29 -6.098 -5.422 1.834 1.00 0.00 C ATOM 452 O LEU A 29 -6.206 -4.387 1.210 1.00 0.00 O ATOM 453 CB LEU A 29 -8.036 -6.794 1.055 1.00 0.00 C ATOM 454 CG LEU A 29 -8.501 -8.220 1.341 1.00 0.00 C ATOM 455 CD1 LEU A 29 -9.253 -8.763 0.124 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.286 -9.108 1.613 1.00 0.00 C ATOM 0 H LEU A 29 -8.991 -4.858 2.281 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.982 -6.968 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.890 -6.172 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.357 -6.789 0.203 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.158 -8.218 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.586 -9.781 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.118 -8.132 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.591 -8.763 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.618 -10.126 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.632 -9.107 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.741 -8.724 2.475 1.00 0.00 H new ATOM 468 N ILE A 30 -4.922 -5.927 2.113 1.00 0.00 N ATOM 469 CA ILE A 30 -3.690 -5.228 1.658 1.00 0.00 C ATOM 470 C ILE A 30 -3.626 -5.284 0.128 1.00 0.00 C ATOM 471 O ILE A 30 -3.925 -6.297 -0.472 1.00 0.00 O ATOM 472 CB ILE A 30 -2.534 -6.011 2.277 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.591 -5.871 3.797 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.201 -5.458 1.763 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.425 -6.637 4.420 1.00 0.00 C ATOM 0 H ILE A 30 -4.766 -6.790 2.634 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.660 -4.179 1.954 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.617 -7.062 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.542 -4.819 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.538 -6.258 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.379 -6.019 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.162 -5.554 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.113 -4.407 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.463 -6.539 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.495 -7.690 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.484 -6.229 4.052 1.00 0.00 H new ATOM 487 N SER A 31 -3.255 -4.211 -0.511 1.00 0.00 N ATOM 488 CA SER A 31 -3.196 -4.226 -2.003 1.00 0.00 C ATOM 489 C SER A 31 -1.785 -3.920 -2.496 1.00 0.00 C ATOM 490 O SER A 31 -1.399 -4.315 -3.579 1.00 0.00 O ATOM 491 CB SER A 31 -4.159 -3.128 -2.447 1.00 0.00 C ATOM 492 OG SER A 31 -4.178 -3.061 -3.865 1.00 0.00 O ATOM 0 H SER A 31 -2.991 -3.329 -0.071 1.00 0.00 H new ATOM 0 HA SER A 31 -3.463 -5.202 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.160 -3.333 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.851 -2.169 -2.031 1.00 0.00 H new ATOM 0 HG SER A 31 -4.081 -2.128 -4.150 1.00 0.00 H new ATOM 498 N LYS A 32 -1.012 -3.210 -1.725 1.00 0.00 N ATOM 499 CA LYS A 32 0.366 -2.879 -2.176 1.00 0.00 C ATOM 500 C LYS A 32 1.368 -3.029 -1.032 1.00 0.00 C ATOM 501 O LYS A 32 1.443 -2.202 -0.145 1.00 0.00 O ATOM 502 CB LYS A 32 0.289 -1.422 -2.629 1.00 0.00 C ATOM 503 CG LYS A 32 0.773 -1.310 -4.076 1.00 0.00 C ATOM 504 CD LYS A 32 0.931 0.166 -4.445 1.00 0.00 C ATOM 505 CE LYS A 32 -0.430 0.860 -4.362 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.512 1.692 -5.596 1.00 0.00 N ATOM 0 H LYS A 32 -1.272 -2.847 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 32 0.704 -3.545 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.736 -1.059 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.901 -0.796 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.724 -1.830 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.061 -1.790 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.638 0.647 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.338 0.259 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.242 0.134 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.506 1.475 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.412 2.213 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.279 2.367 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.461 1.077 -6.433 1.00 0.00 H new ATOM 520 N ILE A 33 2.152 -4.069 -1.058 1.00 0.00 N ATOM 521 CA ILE A 33 3.165 -4.263 0.014 1.00 0.00 C ATOM 522 C ILE A 33 4.472 -3.594 -0.418 1.00 0.00 C ATOM 523 O ILE A 33 5.257 -4.149 -1.162 1.00 0.00 O ATOM 524 CB ILE A 33 3.312 -5.784 0.143 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.082 -6.346 0.856 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.560 -6.133 0.955 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.955 -5.711 2.244 1.00 0.00 C ATOM 0 H ILE A 33 2.135 -4.793 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 33 2.885 -3.821 0.970 1.00 0.00 H new ATOM 0 HB ILE A 33 3.404 -6.216 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.186 -6.144 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.166 -7.429 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.649 -7.216 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.443 -5.733 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.479 -5.699 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.077 -6.114 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.846 -5.936 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.851 -4.631 2.142 1.00 0.00 H new ATOM 539 N PHE A 34 4.694 -2.394 0.036 1.00 0.00 N ATOM 540 CA PHE A 34 5.930 -1.655 -0.348 1.00 0.00 C ATOM 541 C PHE A 34 7.175 -2.395 0.144 1.00 0.00 C ATOM 542 O PHE A 34 7.236 -2.853 1.268 1.00 0.00 O ATOM 543 CB PHE A 34 5.792 -0.290 0.330 1.00 0.00 C ATOM 544 CG PHE A 34 4.642 0.458 -0.302 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.344 0.312 0.205 1.00 0.00 C ATOM 546 CD2 PHE A 34 4.870 1.290 -1.405 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.283 0.992 -0.391 1.00 0.00 C ATOM 548 CE2 PHE A 34 3.805 1.969 -2.002 1.00 0.00 C ATOM 549 CZ PHE A 34 2.510 1.822 -1.495 1.00 0.00 C ATOM 0 H PHE A 34 4.068 -1.888 0.662 1.00 0.00 H new ATOM 0 HA PHE A 34 6.042 -1.562 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.617 -0.416 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.716 0.279 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.166 -0.327 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.870 1.407 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.283 0.878 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.982 2.607 -2.855 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.686 2.348 -1.955 1.00 0.00 H new ATOM 559 N LYS A 35 8.167 -2.521 -0.698 1.00 0.00 N ATOM 560 CA LYS A 35 9.409 -3.238 -0.289 1.00 0.00 C ATOM 561 C LYS A 35 10.285 -2.338 0.585 1.00 0.00 C ATOM 562 O LYS A 35 9.979 -1.183 0.810 1.00 0.00 O ATOM 563 CB LYS A 35 10.121 -3.577 -1.600 1.00 0.00 C ATOM 564 CG LYS A 35 10.478 -2.287 -2.342 1.00 0.00 C ATOM 565 CD LYS A 35 11.928 -2.363 -2.822 1.00 0.00 C ATOM 566 CE LYS A 35 12.343 -1.015 -3.413 1.00 0.00 C ATOM 567 NZ LYS A 35 13.684 -0.737 -2.823 1.00 0.00 N ATOM 0 H LYS A 35 8.170 -2.158 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 35 9.193 -4.129 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.024 -4.152 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.479 -4.200 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.809 -2.145 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.345 -1.428 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.584 -2.625 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.033 -3.148 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.391 -1.058 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.628 -0.233 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.038 0.173 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.606 -0.696 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.345 -1.495 -3.090 1.00 0.00 H new ATOM 581 N GLY A 36 11.372 -2.861 1.083 1.00 0.00 N ATOM 582 CA GLY A 36 12.266 -2.040 1.946 1.00 0.00 C ATOM 583 C GLY A 36 11.458 -1.473 3.113 1.00 0.00 C ATOM 584 O GLY A 36 11.761 -0.418 3.636 1.00 0.00 O ATOM 0 H GLY A 36 11.679 -3.821 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.089 -2.649 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.707 -1.229 1.366 1.00 0.00 H new ATOM 588 N LEU A 37 10.426 -2.160 3.523 1.00 0.00 N ATOM 589 CA LEU A 37 9.597 -1.652 4.652 1.00 0.00 C ATOM 590 C LEU A 37 9.258 -2.786 5.627 1.00 0.00 C ATOM 591 O LEU A 37 9.382 -3.953 5.310 1.00 0.00 O ATOM 592 CB LEU A 37 8.334 -1.099 3.993 1.00 0.00 C ATOM 593 CG LEU A 37 8.576 0.356 3.587 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.004 0.601 2.192 1.00 0.00 C ATOM 595 CD2 LEU A 37 7.889 1.286 4.587 1.00 0.00 C ATOM 0 H LEU A 37 10.122 -3.049 3.126 1.00 0.00 H new ATOM 0 HA LEU A 37 10.116 -0.893 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.075 -1.695 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.492 -1.162 4.682 1.00 0.00 H new ATOM 0 HG LEU A 37 9.648 0.555 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.177 1.638 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.493 -0.060 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.933 0.400 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.062 2.323 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.818 1.085 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.297 1.115 5.583 1.00 0.00 H new ATOM 607 N ALA A 38 8.847 -2.441 6.816 1.00 0.00 N ATOM 608 CA ALA A 38 8.510 -3.475 7.840 1.00 0.00 C ATOM 609 C ALA A 38 7.509 -4.505 7.305 1.00 0.00 C ATOM 610 O ALA A 38 7.739 -5.697 7.359 1.00 0.00 O ATOM 611 CB ALA A 38 7.879 -2.684 8.986 1.00 0.00 C ATOM 0 H ALA A 38 8.728 -1.477 7.127 1.00 0.00 H new ATOM 0 HA ALA A 38 9.393 -4.040 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.598 -3.367 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.597 -1.956 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.991 -2.165 8.624 1.00 0.00 H new ATOM 617 N ALA A 39 6.386 -4.058 6.823 1.00 0.00 N ATOM 618 CA ALA A 39 5.350 -5.008 6.323 1.00 0.00 C ATOM 619 C ALA A 39 5.897 -5.938 5.233 1.00 0.00 C ATOM 620 O ALA A 39 5.525 -7.094 5.158 1.00 0.00 O ATOM 621 CB ALA A 39 4.250 -4.117 5.755 1.00 0.00 C ATOM 0 H ALA A 39 6.137 -3.071 6.752 1.00 0.00 H new ATOM 0 HA ALA A 39 4.998 -5.663 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.444 -4.738 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.861 -3.472 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.657 -3.503 4.952 1.00 0.00 H new ATOM 627 N ASP A 40 6.751 -5.455 4.376 1.00 0.00 N ATOM 628 CA ASP A 40 7.276 -6.336 3.290 1.00 0.00 C ATOM 629 C ASP A 40 8.587 -7.018 3.700 1.00 0.00 C ATOM 630 O ASP A 40 9.097 -7.859 2.987 1.00 0.00 O ATOM 631 CB ASP A 40 7.502 -5.408 2.095 1.00 0.00 C ATOM 632 CG ASP A 40 8.116 -6.208 0.942 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.361 -6.789 0.181 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.332 -6.230 0.845 1.00 0.00 O ATOM 0 H ASP A 40 7.107 -4.499 4.377 1.00 0.00 H new ATOM 0 HA ASP A 40 6.578 -7.142 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.558 -4.963 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.163 -4.588 2.376 1.00 0.00 H new ATOM 639 N GLN A 41 9.140 -6.677 4.833 1.00 0.00 N ATOM 640 CA GLN A 41 10.414 -7.335 5.249 1.00 0.00 C ATOM 641 C GLN A 41 10.159 -8.327 6.394 1.00 0.00 C ATOM 642 O GLN A 41 11.074 -8.759 7.066 1.00 0.00 O ATOM 643 CB GLN A 41 11.340 -6.189 5.694 1.00 0.00 C ATOM 644 CG GLN A 41 10.852 -5.592 7.017 1.00 0.00 C ATOM 645 CD GLN A 41 11.865 -5.901 8.120 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.514 -4.922 8.687 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 12.069 -7.048 8.469 1.00 0.00 N flip ATOM 0 H GLN A 41 8.772 -5.981 5.481 1.00 0.00 H new ATOM 0 HA GLN A 41 10.861 -7.913 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.359 -6.560 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.367 -5.416 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.725 -4.514 6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.878 -6.005 7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.562 -7.814 8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.747 -7.244 9.205 1.00 0.00 H new ATOM 656 N THR A 42 8.923 -8.694 6.619 1.00 0.00 N ATOM 657 CA THR A 42 8.624 -9.658 7.719 1.00 0.00 C ATOM 658 C THR A 42 8.211 -11.025 7.150 1.00 0.00 C ATOM 659 O THR A 42 7.690 -11.864 7.857 1.00 0.00 O ATOM 660 CB THR A 42 7.465 -9.027 8.496 1.00 0.00 C ATOM 661 OG1 THR A 42 7.036 -9.924 9.512 1.00 0.00 O ATOM 662 CG2 THR A 42 6.300 -8.736 7.548 1.00 0.00 C ATOM 0 H THR A 42 8.113 -8.370 6.091 1.00 0.00 H new ATOM 0 HA THR A 42 9.494 -9.836 8.351 1.00 0.00 H new ATOM 0 HB THR A 42 7.800 -8.093 8.947 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.281 -10.840 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.479 -8.287 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.628 -8.047 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.962 -9.666 7.091 1.00 0.00 H new ATOM 670 N GLU A 43 8.451 -11.259 5.882 1.00 0.00 N ATOM 671 CA GLU A 43 8.083 -12.573 5.269 1.00 0.00 C ATOM 672 C GLU A 43 6.671 -13.010 5.685 1.00 0.00 C ATOM 673 O GLU A 43 6.457 -14.136 6.090 1.00 0.00 O ATOM 674 CB GLU A 43 9.127 -13.557 5.796 1.00 0.00 C ATOM 675 CG GLU A 43 10.309 -13.614 4.826 1.00 0.00 C ATOM 676 CD GLU A 43 10.030 -14.656 3.741 1.00 0.00 C ATOM 677 OE1 GLU A 43 9.983 -15.830 4.073 1.00 0.00 O ATOM 678 OE2 GLU A 43 9.866 -14.264 2.598 1.00 0.00 O ATOM 0 H GLU A 43 8.887 -10.594 5.244 1.00 0.00 H new ATOM 0 HA GLU A 43 8.073 -12.520 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.468 -13.248 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.686 -14.547 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.469 -12.636 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.222 -13.869 5.364 1.00 0.00 H new ATOM 685 N ALA A 44 5.706 -12.135 5.585 1.00 0.00 N ATOM 686 CA ALA A 44 4.314 -12.515 5.972 1.00 0.00 C ATOM 687 C ALA A 44 3.321 -11.439 5.524 1.00 0.00 C ATOM 688 O ALA A 44 2.299 -11.739 4.940 1.00 0.00 O ATOM 689 CB ALA A 44 4.335 -12.629 7.493 1.00 0.00 C ATOM 0 H ALA A 44 5.819 -11.177 5.254 1.00 0.00 H new ATOM 0 HA ALA A 44 4.000 -13.447 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.343 -12.906 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.054 -13.392 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.622 -11.671 7.926 1.00 0.00 H new ATOM 695 N LEU A 45 3.606 -10.189 5.775 1.00 0.00 N ATOM 696 CA LEU A 45 2.658 -9.131 5.329 1.00 0.00 C ATOM 697 C LEU A 45 2.739 -9.015 3.807 1.00 0.00 C ATOM 698 O LEU A 45 3.460 -8.205 3.262 1.00 0.00 O ATOM 699 CB LEU A 45 3.103 -7.844 6.020 1.00 0.00 C ATOM 700 CG LEU A 45 2.037 -7.439 7.046 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.446 -6.137 7.731 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.694 -7.236 6.339 1.00 0.00 C ATOM 0 H LEU A 45 4.440 -9.860 6.261 1.00 0.00 H new ATOM 0 HA LEU A 45 1.622 -9.351 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.064 -7.993 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.241 -7.050 5.286 1.00 0.00 H new ATOM 0 HG LEU A 45 1.943 -8.228 7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.685 -5.854 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.400 -6.277 8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.545 -5.349 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.062 -6.948 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.792 -6.450 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.394 -8.165 5.853 1.00 0.00 H new ATOM 714 N PHE A 46 2.000 -9.847 3.132 1.00 0.00 N ATOM 715 CA PHE A 46 2.007 -9.843 1.631 1.00 0.00 C ATOM 716 C PHE A 46 0.660 -9.336 1.109 1.00 0.00 C ATOM 717 O PHE A 46 -0.357 -9.487 1.751 1.00 0.00 O ATOM 718 CB PHE A 46 2.259 -11.305 1.153 1.00 0.00 C ATOM 719 CG PHE A 46 1.890 -12.339 2.206 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.562 -12.469 2.630 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.884 -13.156 2.761 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.228 -13.414 3.608 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.549 -14.102 3.738 1.00 0.00 C ATOM 724 CZ PHE A 46 1.222 -14.229 4.163 1.00 0.00 C ATOM 0 H PHE A 46 1.382 -10.540 3.554 1.00 0.00 H new ATOM 0 HA PHE A 46 2.788 -9.185 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.681 -11.492 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.310 -11.420 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.205 -11.840 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.909 -13.056 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.797 -13.514 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.315 -14.733 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.964 -14.956 4.919 1.00 0.00 H new ATOM 734 N VAL A 47 0.638 -8.729 -0.050 1.00 0.00 N ATOM 735 CA VAL A 47 -0.656 -8.216 -0.595 1.00 0.00 C ATOM 736 C VAL A 47 -1.720 -9.319 -0.546 1.00 0.00 C ATOM 737 O VAL A 47 -1.406 -10.490 -0.456 1.00 0.00 O ATOM 738 CB VAL A 47 -0.353 -7.813 -2.039 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.645 -7.355 -2.722 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.658 -6.663 -2.050 1.00 0.00 C ATOM 0 H VAL A 47 1.454 -8.567 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.045 -7.376 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 47 0.062 -8.668 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.430 -7.067 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.368 -8.170 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.057 -6.501 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.873 -6.377 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.243 -5.809 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.579 -6.983 -1.563 1.00 0.00 H new ATOM 750 N GLY A 48 -2.972 -8.959 -0.581 1.00 0.00 N ATOM 751 CA GLY A 48 -4.043 -9.993 -0.512 1.00 0.00 C ATOM 752 C GLY A 48 -4.182 -10.447 0.939 1.00 0.00 C ATOM 753 O GLY A 48 -4.512 -11.582 1.221 1.00 0.00 O ATOM 0 H GLY A 48 -3.300 -7.996 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.987 -9.586 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.795 -10.840 -1.152 1.00 0.00 H new ATOM 757 N ASP A 49 -3.921 -9.564 1.861 1.00 0.00 N ATOM 758 CA ASP A 49 -4.019 -9.926 3.301 1.00 0.00 C ATOM 759 C ASP A 49 -5.151 -9.143 3.971 1.00 0.00 C ATOM 760 O ASP A 49 -5.022 -7.967 4.247 1.00 0.00 O ATOM 761 CB ASP A 49 -2.668 -9.518 3.889 1.00 0.00 C ATOM 762 CG ASP A 49 -1.666 -10.663 3.729 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.078 -11.741 3.330 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.500 -10.441 4.009 1.00 0.00 O ATOM 0 H ASP A 49 -3.642 -8.600 1.677 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.236 -10.983 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.297 -8.625 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.781 -9.266 4.943 1.00 0.00 H new ATOM 769 N ALA A 50 -6.257 -9.782 4.239 1.00 0.00 N ATOM 770 CA ALA A 50 -7.386 -9.061 4.897 1.00 0.00 C ATOM 771 C ALA A 50 -7.162 -9.020 6.409 1.00 0.00 C ATOM 772 O ALA A 50 -7.225 -10.027 7.084 1.00 0.00 O ATOM 773 CB ALA A 50 -8.632 -9.866 4.547 1.00 0.00 C ATOM 0 H ALA A 50 -6.428 -10.766 4.033 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.476 -8.027 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.507 -9.397 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.753 -9.897 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.528 -10.881 4.929 1.00 0.00 H new ATOM 779 N ILE A 51 -6.886 -7.862 6.943 1.00 0.00 N ATOM 780 CA ILE A 51 -6.639 -7.756 8.408 1.00 0.00 C ATOM 781 C ILE A 51 -7.955 -7.801 9.188 1.00 0.00 C ATOM 782 O ILE A 51 -8.933 -7.183 8.818 1.00 0.00 O ATOM 783 CB ILE A 51 -5.945 -6.407 8.592 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.627 -6.412 7.814 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.659 -6.174 10.077 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.946 -5.050 7.954 1.00 0.00 C ATOM 0 H ILE A 51 -6.821 -6.984 6.427 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.035 -8.583 8.782 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.590 -5.610 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.973 -7.198 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.814 -6.630 6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.164 -5.211 10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.597 -6.177 10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.012 -6.967 10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.007 -5.054 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.599 -4.274 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.745 -4.850 9.007 1.00 0.00 H new ATOM 798 N LEU A 52 -7.981 -8.536 10.268 1.00 0.00 N ATOM 799 CA LEU A 52 -9.230 -8.632 11.084 1.00 0.00 C ATOM 800 C LEU A 52 -8.985 -8.139 12.519 1.00 0.00 C ATOM 801 O LEU A 52 -9.883 -8.131 13.337 1.00 0.00 O ATOM 802 CB LEU A 52 -9.588 -10.121 11.097 1.00 0.00 C ATOM 803 CG LEU A 52 -10.363 -10.487 9.827 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.642 -9.649 9.743 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.491 -10.216 8.600 1.00 0.00 C ATOM 0 H LEU A 52 -7.191 -9.075 10.622 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.028 -8.016 10.669 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.680 -10.721 11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.188 -10.351 11.978 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.627 -11.544 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.191 -9.912 8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.265 -9.847 10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.382 -8.591 9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.043 -10.477 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.224 -9.160 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.584 -10.818 8.658 1.00 0.00 H new ATOM 817 N SER A 53 -7.782 -7.728 12.837 1.00 0.00 N ATOM 818 CA SER A 53 -7.498 -7.243 14.218 1.00 0.00 C ATOM 819 C SER A 53 -6.036 -6.795 14.321 1.00 0.00 C ATOM 820 O SER A 53 -5.135 -7.607 14.406 1.00 0.00 O ATOM 821 CB SER A 53 -7.760 -8.441 15.139 1.00 0.00 C ATOM 822 OG SER A 53 -7.324 -9.632 14.503 1.00 0.00 O ATOM 0 H SER A 53 -6.987 -7.708 12.199 1.00 0.00 H new ATOM 0 HA SER A 53 -8.119 -6.389 14.489 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.234 -8.308 16.085 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.823 -8.509 15.372 1.00 0.00 H new ATOM 0 HG SER A 53 -7.039 -10.279 15.181 1.00 0.00 H new ATOM 828 N VAL A 54 -5.791 -5.513 14.308 1.00 0.00 N ATOM 829 CA VAL A 54 -4.382 -5.025 14.401 1.00 0.00 C ATOM 830 C VAL A 54 -4.005 -4.757 15.866 1.00 0.00 C ATOM 831 O VAL A 54 -4.623 -3.959 16.538 1.00 0.00 O ATOM 832 CB VAL A 54 -4.336 -3.723 13.587 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.844 -3.963 12.165 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.214 -2.666 14.248 1.00 0.00 C ATOM 0 H VAL A 54 -6.501 -4.784 14.237 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.675 -5.761 14.018 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.302 -3.380 13.550 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.805 -3.030 11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.217 -4.709 11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.873 -4.321 12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.176 -1.746 13.665 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.242 -3.024 14.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.852 -2.471 15.257 1.00 0.00 H new ATOM 844 N ASN A 55 -2.988 -5.412 16.360 1.00 0.00 N ATOM 845 CA ASN A 55 -2.560 -5.196 17.776 1.00 0.00 C ATOM 846 C ASN A 55 -3.710 -5.489 18.746 1.00 0.00 C ATOM 847 O ASN A 55 -3.837 -4.863 19.780 1.00 0.00 O ATOM 848 CB ASN A 55 -2.152 -3.727 17.858 1.00 0.00 C ATOM 849 CG ASN A 55 -0.627 -3.622 17.941 1.00 0.00 C ATOM 850 OD1 ASN A 55 0.039 -3.149 16.923 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 -0.035 -3.974 18.942 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.431 -6.092 15.842 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.743 -5.862 18.053 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.517 -3.188 16.983 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.607 -3.261 18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.554 -4.344 19.738 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.981 -3.900 18.986 1.00 0.00 H new ATOM 858 N GLY A 56 -4.542 -6.444 18.427 1.00 0.00 N ATOM 859 CA GLY A 56 -5.672 -6.783 19.340 1.00 0.00 C ATOM 860 C GLY A 56 -6.848 -5.829 19.100 1.00 0.00 C ATOM 861 O GLY A 56 -7.739 -5.717 19.920 1.00 0.00 O ATOM 0 H GLY A 56 -4.488 -7.003 17.576 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.989 -7.812 19.172 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.344 -6.715 20.377 1.00 0.00 H new ATOM 865 N GLU A 57 -6.870 -5.149 17.985 1.00 0.00 N ATOM 866 CA GLU A 57 -8.000 -4.217 17.706 1.00 0.00 C ATOM 867 C GLU A 57 -8.934 -4.833 16.670 1.00 0.00 C ATOM 868 O GLU A 57 -8.744 -4.661 15.484 1.00 0.00 O ATOM 869 CB GLU A 57 -7.353 -2.957 17.138 1.00 0.00 C ATOM 870 CG GLU A 57 -8.051 -1.722 17.711 1.00 0.00 C ATOM 871 CD GLU A 57 -7.405 -0.460 17.134 1.00 0.00 C ATOM 872 OE1 GLU A 57 -7.397 -0.324 15.922 1.00 0.00 O ATOM 873 OE2 GLU A 57 -6.931 0.348 17.915 1.00 0.00 O ATOM 0 H GLU A 57 -6.157 -5.198 17.258 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.588 -4.007 18.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.292 -2.936 17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.425 -2.957 16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.113 -1.745 17.467 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.974 -1.719 18.798 1.00 0.00 H new ATOM 880 N ASP A 58 -9.938 -5.552 17.110 1.00 0.00 N ATOM 881 CA ASP A 58 -10.895 -6.198 16.155 1.00 0.00 C ATOM 882 C ASP A 58 -11.284 -5.236 15.027 1.00 0.00 C ATOM 883 O ASP A 58 -12.127 -4.376 15.188 1.00 0.00 O ATOM 884 CB ASP A 58 -12.118 -6.549 17.003 1.00 0.00 C ATOM 885 CG ASP A 58 -11.819 -7.799 17.834 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.255 -7.651 18.906 1.00 0.00 O ATOM 887 OD2 ASP A 58 -12.160 -8.880 17.385 1.00 0.00 O ATOM 0 H ASP A 58 -10.138 -5.721 18.096 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.457 -7.073 15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.371 -5.715 17.658 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.981 -6.724 16.361 1.00 0.00 H new ATOM 892 N LEU A 59 -10.665 -5.378 13.885 1.00 0.00 N ATOM 893 CA LEU A 59 -10.984 -4.479 12.741 1.00 0.00 C ATOM 894 C LEU A 59 -12.071 -5.105 11.860 1.00 0.00 C ATOM 895 O LEU A 59 -12.177 -4.812 10.685 1.00 0.00 O ATOM 896 CB LEU A 59 -9.669 -4.349 11.967 1.00 0.00 C ATOM 897 CG LEU A 59 -9.092 -2.945 12.166 1.00 0.00 C ATOM 898 CD1 LEU A 59 -10.102 -1.904 11.679 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.800 -2.718 13.651 1.00 0.00 C ATOM 0 H LEU A 59 -9.950 -6.081 13.696 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.364 -3.511 13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.957 -5.098 12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.839 -4.536 10.907 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.168 -2.849 11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.691 -0.904 11.821 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.309 -2.065 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.027 -2.000 12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.389 -1.718 13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.723 -2.815 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.079 -3.459 13.997 1.00 0.00 H new ATOM 911 N SER A 60 -12.879 -5.968 12.417 1.00 0.00 N ATOM 912 CA SER A 60 -13.956 -6.614 11.611 1.00 0.00 C ATOM 913 C SER A 60 -15.088 -5.617 11.335 1.00 0.00 C ATOM 914 O SER A 60 -15.411 -5.331 10.200 1.00 0.00 O ATOM 915 CB SER A 60 -14.457 -7.775 12.475 1.00 0.00 C ATOM 916 OG SER A 60 -15.257 -7.270 13.535 1.00 0.00 O ATOM 0 H SER A 60 -12.840 -6.253 13.395 1.00 0.00 H new ATOM 0 HA SER A 60 -13.595 -6.955 10.641 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.037 -8.470 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.612 -8.333 12.878 1.00 0.00 H new ATOM 0 HG SER A 60 -15.578 -8.014 14.086 1.00 0.00 H new ATOM 922 N SER A 61 -15.690 -5.084 12.364 1.00 0.00 N ATOM 923 CA SER A 61 -16.795 -4.106 12.158 1.00 0.00 C ATOM 924 C SER A 61 -16.220 -2.719 11.849 1.00 0.00 C ATOM 925 O SER A 61 -16.895 -1.861 11.318 1.00 0.00 O ATOM 926 CB SER A 61 -17.556 -4.090 13.484 1.00 0.00 C ATOM 927 OG SER A 61 -18.931 -3.832 13.240 1.00 0.00 O ATOM 0 H SER A 61 -15.464 -5.284 13.338 1.00 0.00 H new ATOM 0 HA SER A 61 -17.439 -4.375 11.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.440 -5.047 13.993 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.143 -3.326 14.143 1.00 0.00 H new ATOM 0 HG SER A 61 -19.418 -3.824 14.090 1.00 0.00 H new ATOM 933 N ALA A 62 -14.977 -2.497 12.181 1.00 0.00 N ATOM 934 CA ALA A 62 -14.357 -1.169 11.911 1.00 0.00 C ATOM 935 C ALA A 62 -14.434 -0.833 10.424 1.00 0.00 C ATOM 936 O ALA A 62 -14.715 -1.679 9.598 1.00 0.00 O ATOM 937 CB ALA A 62 -12.897 -1.328 12.325 1.00 0.00 C ATOM 0 H ALA A 62 -14.364 -3.179 12.628 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.864 -0.368 12.450 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.367 -0.390 12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.845 -1.590 13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.435 -2.117 11.732 1.00 0.00 H new ATOM 943 N THR A 63 -14.161 0.392 10.075 1.00 0.00 N ATOM 944 CA THR A 63 -14.190 0.781 8.640 1.00 0.00 C ATOM 945 C THR A 63 -12.758 0.822 8.107 1.00 0.00 C ATOM 946 O THR A 63 -11.841 0.340 8.744 1.00 0.00 O ATOM 947 CB THR A 63 -14.818 2.175 8.615 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.042 3.057 9.413 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.243 2.104 9.166 1.00 0.00 C ATOM 0 H THR A 63 -13.919 1.141 10.723 1.00 0.00 H new ATOM 0 HA THR A 63 -14.753 0.083 8.021 1.00 0.00 H new ATOM 0 HB THR A 63 -14.846 2.543 7.589 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.443 3.951 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.690 3.098 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.837 1.428 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.219 1.736 10.192 1.00 0.00 H new ATOM 957 N HIS A 64 -12.548 1.391 6.954 1.00 0.00 N ATOM 958 CA HIS A 64 -11.162 1.451 6.414 1.00 0.00 C ATOM 959 C HIS A 64 -10.355 2.517 7.161 1.00 0.00 C ATOM 960 O HIS A 64 -9.143 2.463 7.218 1.00 0.00 O ATOM 961 CB HIS A 64 -11.320 1.815 4.938 1.00 0.00 C ATOM 962 CG HIS A 64 -9.966 2.023 4.324 1.00 0.00 C ATOM 963 ND1 HIS A 64 -8.981 2.947 4.565 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.484 1.213 3.311 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -7.905 2.718 3.718 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.261 1.664 2.984 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.268 1.813 6.367 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.627 0.509 6.535 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.851 1.022 4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.919 2.720 4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.996 0.373 2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.980 3.273 3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.675 1.249 2.260 1.00 0.00 H new ATOM 974 N ASP A 65 -11.017 3.480 7.745 1.00 0.00 N ATOM 975 CA ASP A 65 -10.284 4.538 8.497 1.00 0.00 C ATOM 976 C ASP A 65 -9.795 3.975 9.833 1.00 0.00 C ATOM 977 O ASP A 65 -8.737 4.326 10.318 1.00 0.00 O ATOM 978 CB ASP A 65 -11.311 5.645 8.722 1.00 0.00 C ATOM 979 CG ASP A 65 -11.740 6.229 7.373 1.00 0.00 C ATOM 980 OD1 ASP A 65 -12.603 5.639 6.744 1.00 0.00 O ATOM 981 OD2 ASP A 65 -11.199 7.253 6.994 1.00 0.00 O ATOM 0 H ASP A 65 -12.032 3.579 7.734 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.408 4.904 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.178 5.249 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.885 6.428 9.350 1.00 0.00 H new ATOM 986 N GLU A 66 -10.558 3.100 10.428 1.00 0.00 N ATOM 987 CA GLU A 66 -10.143 2.505 11.730 1.00 0.00 C ATOM 988 C GLU A 66 -8.995 1.519 11.508 1.00 0.00 C ATOM 989 O GLU A 66 -8.200 1.263 12.390 1.00 0.00 O ATOM 990 CB GLU A 66 -11.386 1.775 12.242 1.00 0.00 C ATOM 991 CG GLU A 66 -12.216 2.725 13.109 1.00 0.00 C ATOM 992 CD GLU A 66 -11.493 2.968 14.435 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.097 1.997 15.058 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.347 4.121 14.804 1.00 0.00 O ATOM 0 H GLU A 66 -11.454 2.770 10.068 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.790 3.254 12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.982 1.417 11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.094 0.899 12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.369 3.670 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.202 2.299 13.293 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.902 0.963 10.330 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.807 -0.006 10.043 1.00 0.00 C ATOM 1003 C ALA A 67 -6.501 0.740 9.764 1.00 0.00 C ATOM 1004 O ALA A 67 -5.435 0.321 10.171 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.266 -0.765 8.798 1.00 0.00 C ATOM 0 H ALA A 67 -9.539 1.139 9.553 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.618 -0.675 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.511 -1.501 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.207 -1.273 9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.408 -0.064 7.976 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.574 1.844 9.071 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.333 2.616 8.769 1.00 0.00 C ATOM 1013 C VAL A 68 -4.887 3.348 10.036 1.00 0.00 C ATOM 1014 O VAL A 68 -3.711 3.456 10.324 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.699 3.634 7.668 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.415 4.125 7.000 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.602 3.010 6.590 1.00 0.00 C ATOM 0 H VAL A 68 -7.436 2.244 8.702 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.522 1.968 8.438 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.241 4.456 8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.663 4.845 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.777 4.601 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.888 3.279 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.837 3.759 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.085 2.172 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.525 2.656 7.049 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.824 3.845 10.799 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.468 4.565 12.052 1.00 0.00 C ATOM 1029 C GLN A 69 -4.605 3.670 12.941 1.00 0.00 C ATOM 1030 O GLN A 69 -3.667 4.123 13.567 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.807 4.869 12.730 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.557 5.498 14.103 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.780 6.317 14.520 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -8.888 6.023 14.119 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -7.625 7.341 15.314 1.00 0.00 N ATOM 0 H GLN A 69 -6.824 3.782 10.606 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.896 5.473 11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.394 5.546 12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.387 3.953 12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.358 4.720 14.840 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.674 6.136 14.067 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.695 7.589 15.651 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.434 7.894 15.597 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.904 2.400 12.998 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.085 1.493 13.842 1.00 0.00 C ATOM 1046 C ALA A 70 -2.711 1.318 13.200 1.00 0.00 C ATOM 1047 O ALA A 70 -1.690 1.466 13.840 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.851 0.176 13.852 1.00 0.00 C ATOM 0 H ALA A 70 -5.675 1.957 12.499 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.926 1.872 14.852 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.312 -0.554 14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.843 0.335 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.947 -0.197 12.832 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.686 1.015 11.933 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.389 0.840 11.228 1.00 0.00 C ATOM 1056 C LEU A 71 -0.592 2.148 11.282 1.00 0.00 C ATOM 1057 O LEU A 71 0.620 2.150 11.193 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.773 0.475 9.792 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.544 -0.850 9.800 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -3.156 -1.098 8.421 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.594 -1.998 10.154 1.00 0.00 C ATOM 0 H LEU A 71 -3.514 0.880 11.353 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.758 0.073 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.385 1.264 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.879 0.386 9.175 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.339 -0.798 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.703 -2.041 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.838 -0.285 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.363 -1.146 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.145 -2.938 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.795 -2.050 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.165 -1.824 11.141 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.260 3.263 11.448 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.530 4.561 11.531 1.00 0.00 C ATOM 1075 C LYS A 72 0.119 4.683 12.913 1.00 0.00 C ATOM 1076 O LYS A 72 1.218 5.180 13.057 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.599 5.639 11.341 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.960 5.745 9.859 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.812 7.197 9.402 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.362 7.458 8.990 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.373 8.830 8.410 1.00 0.00 N ATOM 0 H LYS A 72 -2.275 3.328 11.529 1.00 0.00 H new ATOM 0 HA LYS A 72 0.260 4.650 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.486 5.394 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.232 6.598 11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.311 5.098 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.983 5.404 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.480 7.395 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.100 7.874 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.310 7.396 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.019 6.723 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.587 9.085 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.017 8.857 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.697 9.508 9.129 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.557 4.212 13.927 1.00 0.00 N ATOM 1096 CA LYS A 73 0.001 4.272 15.305 1.00 0.00 C ATOM 1097 C LYS A 73 0.081 2.849 15.866 1.00 0.00 C ATOM 1098 O LYS A 73 -0.400 2.561 16.944 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.001 5.119 16.094 1.00 0.00 C ATOM 1100 CG LYS A 73 -0.609 5.142 17.573 1.00 0.00 C ATOM 1101 CD LYS A 73 -1.086 6.450 18.208 1.00 0.00 C ATOM 1102 CE LYS A 73 -0.133 7.583 17.823 1.00 0.00 C ATOM 1103 NZ LYS A 73 -0.480 8.704 18.741 1.00 0.00 N ATOM 0 H LYS A 73 -1.480 3.785 13.856 1.00 0.00 H new ATOM 0 HA LYS A 73 1.003 4.699 15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.024 6.134 15.699 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.005 4.710 15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.052 4.291 18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.472 5.049 17.675 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.097 6.682 17.873 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.125 6.347 19.292 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.908 7.282 17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.263 7.872 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.132 9.520 18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.475 8.973 18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.340 8.402 19.726 1.00 0.00 H new ATOM 1117 N THR A 74 0.671 1.955 15.124 1.00 0.00 N ATOM 1118 CA THR A 74 0.773 0.541 15.587 1.00 0.00 C ATOM 1119 C THR A 74 1.379 0.476 16.996 1.00 0.00 C ATOM 1120 O THR A 74 0.669 0.428 17.981 1.00 0.00 O ATOM 1121 CB THR A 74 1.676 -0.152 14.561 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.983 0.402 14.620 1.00 0.00 O ATOM 1123 CG2 THR A 74 1.107 0.044 13.155 1.00 0.00 C ATOM 0 H THR A 74 1.089 2.142 14.213 1.00 0.00 H new ATOM 0 HA THR A 74 -0.202 0.058 15.653 1.00 0.00 H new ATOM 0 HB THR A 74 1.721 -1.217 14.790 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.460 0.204 13.787 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.752 -0.450 12.429 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.107 -0.387 13.104 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.055 1.109 12.929 1.00 0.00 H new ATOM 1131 N GLY A 75 2.682 0.470 17.105 1.00 0.00 N ATOM 1132 CA GLY A 75 3.314 0.403 18.454 1.00 0.00 C ATOM 1133 C GLY A 75 4.641 -0.360 18.361 1.00 0.00 C ATOM 1134 O GLY A 75 5.099 -0.692 17.286 1.00 0.00 O ATOM 0 H GLY A 75 3.333 0.508 16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.487 1.409 18.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.645 -0.094 19.156 1.00 0.00 H new ATOM 1138 N LYS A 76 5.262 -0.639 19.479 1.00 0.00 N ATOM 1139 CA LYS A 76 6.561 -1.381 19.453 1.00 0.00 C ATOM 1140 C LYS A 76 6.448 -2.628 18.567 1.00 0.00 C ATOM 1141 O LYS A 76 7.349 -2.954 17.821 1.00 0.00 O ATOM 1142 CB LYS A 76 6.819 -1.772 20.916 1.00 0.00 C ATOM 1143 CG LYS A 76 5.737 -2.748 21.387 1.00 0.00 C ATOM 1144 CD LYS A 76 5.879 -2.982 22.891 1.00 0.00 C ATOM 1145 CE LYS A 76 4.658 -3.749 23.404 1.00 0.00 C ATOM 1146 NZ LYS A 76 5.217 -4.971 24.048 1.00 0.00 N ATOM 0 H LYS A 76 4.927 -0.386 20.408 1.00 0.00 H new ATOM 0 HA LYS A 76 7.373 -0.781 19.042 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.803 -2.231 21.012 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.819 -0.882 21.546 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.749 -2.347 21.163 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.827 -3.693 20.851 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.789 -3.545 23.098 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.968 -2.029 23.412 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.087 -3.153 24.116 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.982 -4.006 22.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.440 -5.551 24.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.749 -5.522 23.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.852 -4.695 24.824 1.00 0.00 H new ATOM 1160 N GLU A 77 5.343 -3.319 18.639 1.00 0.00 N ATOM 1161 CA GLU A 77 5.168 -4.537 17.796 1.00 0.00 C ATOM 1162 C GLU A 77 3.842 -4.452 17.037 1.00 0.00 C ATOM 1163 O GLU A 77 2.807 -4.173 17.608 1.00 0.00 O ATOM 1164 CB GLU A 77 5.157 -5.711 18.779 1.00 0.00 C ATOM 1165 CG GLU A 77 3.998 -5.549 19.766 1.00 0.00 C ATOM 1166 CD GLU A 77 4.050 -6.673 20.803 1.00 0.00 C ATOM 1167 OE1 GLU A 77 5.107 -7.263 20.957 1.00 0.00 O ATOM 1168 OE2 GLU A 77 3.031 -6.924 21.427 1.00 0.00 O ATOM 0 H GLU A 77 4.554 -3.093 19.245 1.00 0.00 H new ATOM 0 HA GLU A 77 5.958 -4.647 17.053 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.056 -6.651 18.236 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.103 -5.755 19.319 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.061 -4.580 20.261 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.047 -5.574 19.234 1.00 0.00 H new ATOM 1175 N VAL A 78 3.863 -4.670 15.751 1.00 0.00 N ATOM 1176 CA VAL A 78 2.598 -4.582 14.969 1.00 0.00 C ATOM 1177 C VAL A 78 1.976 -5.967 14.768 1.00 0.00 C ATOM 1178 O VAL A 78 2.091 -6.558 13.712 1.00 0.00 O ATOM 1179 CB VAL A 78 3.011 -3.985 13.625 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.770 -3.760 12.762 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.720 -2.650 13.853 1.00 0.00 C ATOM 0 H VAL A 78 4.696 -4.904 15.211 1.00 0.00 H new ATOM 0 HA VAL A 78 1.847 -3.980 15.481 1.00 0.00 H new ATOM 0 HB VAL A 78 3.687 -4.673 13.118 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.066 -3.334 11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.265 -4.712 12.596 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.093 -3.074 13.270 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.014 -2.226 12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.045 -1.962 14.363 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.607 -2.809 14.466 1.00 0.00 H new ATOM 1191 N VAL A 79 1.296 -6.483 15.759 1.00 0.00 N ATOM 1192 CA VAL A 79 0.653 -7.817 15.589 1.00 0.00 C ATOM 1193 C VAL A 79 -0.558 -7.645 14.678 1.00 0.00 C ATOM 1194 O VAL A 79 -1.516 -6.992 15.033 1.00 0.00 O ATOM 1195 CB VAL A 79 0.215 -8.248 16.993 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.260 -9.702 16.955 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.390 -8.124 17.966 1.00 0.00 C ATOM 0 H VAL A 79 1.160 -6.043 16.669 1.00 0.00 H new ATOM 0 HA VAL A 79 1.316 -8.560 15.146 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.599 -7.604 17.327 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.572 -10.009 17.953 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.102 -9.792 16.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.555 -10.342 16.616 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.072 -8.432 18.962 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.208 -8.763 17.633 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.729 -7.088 17.997 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.518 -8.185 13.493 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.668 -7.992 12.568 1.00 0.00 C ATOM 1209 C LEU A 80 -2.301 -9.321 12.159 1.00 0.00 C ATOM 1210 O LEU A 80 -1.737 -10.084 11.398 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.058 -7.291 11.350 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.251 -5.767 11.446 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.882 -5.260 12.847 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.347 -5.082 10.419 1.00 0.00 C ATOM 0 H LEU A 80 0.252 -8.746 13.128 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.469 -7.418 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.005 -7.525 11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.524 -7.665 10.438 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.298 -5.535 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.026 -4.180 12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.519 -5.743 13.588 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.161 -5.496 13.056 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.479 -4.002 10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.693 -5.333 10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.611 -5.422 9.418 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.491 -9.584 12.628 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.182 -10.838 12.225 1.00 0.00 C ATOM 1228 C GLU A 81 -4.551 -10.702 10.752 1.00 0.00 C ATOM 1229 O GLU A 81 -5.209 -9.759 10.361 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.438 -10.912 13.091 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.071 -12.298 12.953 1.00 0.00 C ATOM 1232 CD GLU A 81 -5.954 -13.046 14.282 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -6.122 -12.415 15.313 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -5.698 -14.239 14.248 1.00 0.00 O ATOM 0 H GLU A 81 -4.011 -8.986 13.270 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.574 -11.733 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.186 -10.718 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.149 -10.144 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.119 -12.204 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.574 -12.860 12.162 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.106 -11.599 9.924 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.409 -11.463 8.470 1.00 0.00 C ATOM 1243 C VAL A 82 -5.231 -12.638 7.939 1.00 0.00 C ATOM 1244 O VAL A 82 -5.069 -13.770 8.339 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.027 -11.397 7.780 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.121 -12.514 8.296 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.173 -11.559 6.265 1.00 0.00 C ATOM 0 H VAL A 82 -3.551 -12.414 10.183 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.015 -10.578 8.274 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.589 -10.425 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.152 -12.454 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.986 -12.405 9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.578 -13.481 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.190 -11.510 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.632 -12.523 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.802 -10.760 5.873 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.084 -12.352 6.996 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.905 -13.413 6.358 1.00 0.00 C ATOM 1259 C LYS A 83 -6.451 -13.533 4.905 1.00 0.00 C ATOM 1260 O LYS A 83 -7.023 -12.941 4.010 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.349 -12.916 6.444 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.099 -13.716 7.511 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.592 -13.739 7.179 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.255 -14.916 7.898 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.673 -14.896 7.439 1.00 0.00 N ATOM 0 H LYS A 83 -6.248 -11.412 6.636 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.809 -14.390 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.366 -11.854 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.841 -13.026 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.711 -14.733 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.941 -13.270 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.058 -12.802 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.735 -13.829 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.770 -15.858 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.188 -14.806 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.195 -15.675 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.110 -13.990 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.705 -15.009 6.406 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.392 -14.258 4.675 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.855 -14.389 3.290 1.00 0.00 C ATOM 1281 C TYR A 84 -5.958 -14.771 2.303 1.00 0.00 C ATOM 1282 O TYR A 84 -6.666 -15.741 2.487 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.807 -15.506 3.373 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.608 -15.215 2.481 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.669 -14.251 1.459 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.421 -15.927 2.690 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.548 -14.004 0.660 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.303 -15.681 1.889 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.364 -14.720 0.874 1.00 0.00 C ATOM 1290 OH TYR A 84 0.741 -14.475 0.084 1.00 0.00 O ATOM 0 H TYR A 84 -4.872 -14.768 5.389 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.434 -13.449 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.475 -15.619 4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.259 -16.453 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.583 -13.701 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.369 -16.669 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.596 -13.261 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.610 -16.234 2.054 1.00 0.00 H new ATOM 0 HH TYR A 84 1.312 -13.808 0.519 1.00 0.00 H new ATOM 1300 N MET A 85 -6.094 -14.021 1.245 1.00 0.00 N ATOM 1301 CA MET A 85 -7.133 -14.342 0.229 1.00 0.00 C ATOM 1302 C MET A 85 -6.468 -14.552 -1.134 1.00 0.00 C ATOM 1303 O MET A 85 -6.826 -13.930 -2.114 1.00 0.00 O ATOM 1304 CB MET A 85 -8.057 -13.126 0.199 1.00 0.00 C ATOM 1305 CG MET A 85 -9.017 -13.186 1.388 1.00 0.00 C ATOM 1306 SD MET A 85 -10.633 -12.538 0.894 1.00 0.00 S ATOM 1307 CE MET A 85 -10.872 -11.428 2.302 1.00 0.00 C ATOM 0 H MET A 85 -5.528 -13.197 1.040 1.00 0.00 H new ATOM 0 HA MET A 85 -7.683 -15.253 0.466 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.470 -12.209 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.619 -13.106 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.117 -14.214 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.619 -12.605 2.220 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.937 -11.331 2.512 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.365 -11.835 3.177 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.458 -10.447 2.067 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.497 -15.422 -1.199 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.800 -15.673 -2.493 1.00 0.00 C ATOM 1319 C LYS A 86 -5.805 -16.109 -3.561 1.00 0.00 C ATOM 1320 O LYS A 86 -5.491 -15.973 -4.732 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.807 -16.798 -2.195 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.774 -16.314 -1.177 1.00 0.00 C ATOM 1323 CD LYS A 86 -2.484 -17.435 -0.177 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.918 -18.648 -0.920 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.438 -18.522 -0.786 1.00 0.00 N ATOM 1326 OXT LYS A 86 -6.871 -16.571 -3.190 1.00 0.00 O ATOM 0 H LYS A 86 -5.156 -15.971 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.303 -14.781 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.335 -17.669 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.309 -17.110 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.856 -16.019 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.147 -15.433 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.773 -17.091 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.397 -17.712 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.276 -19.581 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.222 -18.647 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.023 -19.318 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.125 -17.628 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.178 -18.532 0.221 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -10.125 1.990 -0.763 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.412 3.298 -0.700 1.00 0.00 C ATOM 1343 C LYS B 3 -7.974 3.095 -0.233 1.00 0.00 C ATOM 1344 O LYS B 3 -7.670 3.231 0.933 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.190 4.131 0.319 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.262 3.399 1.657 1.00 0.00 C ATOM 1347 CD LYS B 3 -11.544 3.812 2.385 1.00 0.00 C ATOM 1348 CE LYS B 3 -11.226 4.917 3.394 1.00 0.00 C ATOM 1349 NZ LYS B 3 -12.532 5.590 3.647 1.00 0.00 N ATOM 0 HA LYS B 3 -9.366 3.785 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.707 5.099 0.452 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -11.196 4.325 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.251 2.321 1.497 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.390 3.640 2.265 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -12.285 4.163 1.667 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.977 2.952 2.896 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -10.809 4.505 4.313 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -10.491 5.617 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -12.551 6.506 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -13.305 4.991 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -12.652 5.742 4.669 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.082 2.774 -1.131 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.661 2.562 -0.727 1.00 0.00 C ATOM 1365 C GLU B 4 -5.176 3.731 0.148 1.00 0.00 C ATOM 1366 O GLU B 4 -5.293 4.882 -0.224 1.00 0.00 O ATOM 1367 CB GLU B 4 -4.878 2.514 -2.038 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.754 1.063 -2.507 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.792 0.991 -3.695 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.016 1.918 -3.864 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.846 0.008 -4.417 1.00 0.00 O ATOM 0 H GLU B 4 -7.275 2.649 -2.125 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.531 1.652 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -5.383 3.111 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -3.888 2.948 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.391 0.436 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.732 0.677 -2.794 1.00 0.00 H new ATOM 1378 N SER B 5 -4.648 3.450 1.311 1.00 0.00 N ATOM 1379 CA SER B 5 -4.179 4.556 2.202 1.00 0.00 C ATOM 1380 C SER B 5 -2.651 4.555 2.327 1.00 0.00 C ATOM 1381 O SER B 5 -2.044 5.569 2.610 1.00 0.00 O ATOM 1382 CB SER B 5 -4.823 4.265 3.557 1.00 0.00 C ATOM 1383 OG SER B 5 -5.834 5.229 3.818 1.00 0.00 O ATOM 0 H SER B 5 -4.521 2.508 1.682 1.00 0.00 H new ATOM 0 HA SER B 5 -4.454 5.535 1.810 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.252 3.263 3.560 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.069 4.291 4.343 1.00 0.00 H new ATOM 0 HG SER B 5 -5.484 5.913 4.426 1.00 0.00 H new ATOM 1389 N LEU B 6 -2.023 3.428 2.120 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.530 3.366 2.230 1.00 0.00 C ATOM 1391 C LEU B 6 -0.075 3.787 3.631 1.00 0.00 C ATOM 1392 O LEU B 6 0.067 4.960 3.919 1.00 0.00 O ATOM 1393 CB LEU B 6 0.000 4.351 1.182 1.00 0.00 C ATOM 1394 CG LEU B 6 1.151 3.715 0.408 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.709 4.727 -0.595 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.255 3.300 1.384 1.00 0.00 C ATOM 0 H LEU B 6 -2.476 2.546 1.879 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.157 2.355 2.064 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.800 4.632 0.497 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.339 5.266 1.668 1.00 0.00 H new ATOM 0 HG LEU B 6 0.790 2.836 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.531 4.275 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.923 5.022 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.071 5.606 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.077 2.846 0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.618 4.178 1.918 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.857 2.580 2.099 1.00 0.00 H new ATOM 1408 N VAL B 7 0.165 2.844 4.505 1.00 0.00 N ATOM 1409 CA VAL B 7 0.621 3.202 5.880 1.00 0.00 C ATOM 1410 C VAL B 7 2.091 2.811 6.065 1.00 0.00 C ATOM 1411 O VAL B 7 2.613 3.027 7.147 1.00 0.00 O ATOM 1412 CB VAL B 7 -0.272 2.392 6.820 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.050 2.757 8.271 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.739 2.710 6.527 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.670 2.301 5.119 1.00 0.00 O ATOM 0 H VAL B 7 0.065 1.845 4.326 1.00 0.00 H new ATOM 0 HA VAL B 7 0.548 4.272 6.074 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.093 1.328 6.666 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.587 2.180 8.941 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.096 2.531 8.480 1.00 0.00 H new ATOM 0 HG13 VAL B 7 -0.129 3.821 8.427 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.377 2.133 7.196 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.919 3.774 6.682 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.968 2.450 5.494 1.00 0.00 H new TER 1425 VAL B 7