USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 813 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -170:sc= -0.0549 (180deg=-0.295) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 62:sc= -0.529 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 156:sc= -0.0302 USER MOD Single : A 19 GLN : amide:sc= -0.608 K(o=-0.61,f=-0.036) USER MOD Single : A 23 SER OG : rot -140:sc= -0.371 USER MOD Single : A 25 SER OG : rot 180:sc= -0.869 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.974 K(o=0.97,f=-0.03) USER MOD Single : A 33 SER OG : rot -67:sc= 0.241 USER MOD Single : A 35 MET CE :methyl -143:sc= -1.42 (180deg=-6.51!) USER MOD Single : A 36 SER OG : rot 95:sc= 0.133 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= -1.94! (180deg=-4.97!) USER MOD Single : A 39 SER OG : rot 24:sc= 0.43 USER MOD Single : A 40 SER OG : rot -57:sc= 0.991 USER MOD Single : A 41 SER OG : rot -40:sc= 0.0136 USER MOD Single : A 42 GLN : amide:sc= -3.71 K(o=-3.7,f=-0.79) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -2.24 K(o=-2.2,f=-3.7!) USER MOD Single : A 55 SER OG : rot 112:sc= 0.315 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.732) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.66 K(o=-0.66,f=-0.15) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -86:sc= 0.0273 USER MOD Single : A 80 SER OG : rot 160:sc= 0 USER MOD Single : A 82 THR OG1 : rot -91:sc= -0.0139 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0972 (180deg=-0.559) USER MOD Single : A 84 THR OG1 : rot -54:sc= 0.823 USER MOD Single : A 91 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-3.3) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.4! C(o=-4.4!,f=-5.1!) USER MOD Single : A 105 MET CE :methyl -174:sc= -0.197 (180deg=-0.214) USER MOD Single : A 107 GLN : amide:sc= -2.43 X(o=-2.4,f=-2.5!) USER MOD Single : A 108 SER OG : rot 33:sc= 0.058 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.213 -3.670 0.599 1.00 0.00 N ATOM 2 CA SER A 1 3.279 -2.585 0.322 1.00 0.00 C ATOM 3 C SER A 1 2.667 -2.735 -1.067 1.00 0.00 C ATOM 4 O SER A 1 1.581 -2.221 -1.339 1.00 0.00 O ATOM 5 CB SER A 1 3.988 -1.233 0.436 1.00 0.00 C ATOM 6 OG SER A 1 3.993 -0.771 1.776 1.00 0.00 O ATOM 0 H1 SER A 1 4.487 -3.645 1.602 1.00 0.00 H new ATOM 0 H2 SER A 1 3.759 -4.581 0.387 1.00 0.00 H new ATOM 0 H3 SER A 1 5.060 -3.559 0.006 1.00 0.00 H new ATOM 0 HA SER A 1 2.478 -2.631 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.013 -1.325 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.490 -0.503 -0.202 1.00 0.00 H new ATOM 0 HG SER A 1 4.453 0.093 1.822 1.00 0.00 H new ATOM 12 N LEU A 2 3.371 -3.444 -1.943 1.00 0.00 N ATOM 13 CA LEU A 2 2.898 -3.664 -3.305 1.00 0.00 C ATOM 14 C LEU A 2 1.669 -4.567 -3.316 1.00 0.00 C ATOM 15 O LEU A 2 0.979 -4.684 -4.329 1.00 0.00 O ATOM 16 CB LEU A 2 4.007 -4.282 -4.158 1.00 0.00 C ATOM 17 CG LEU A 2 4.189 -5.795 -4.028 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.230 -6.294 -5.017 1.00 0.00 C ATOM 19 CD2 LEU A 2 4.582 -6.165 -2.605 1.00 0.00 C ATOM 0 H LEU A 2 4.271 -3.876 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 2 2.620 -2.698 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.806 -4.049 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.949 -3.799 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 2 3.239 -6.277 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.346 -7.372 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.908 -6.063 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.184 -5.805 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.707 -7.245 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.520 -5.673 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.801 -5.842 -1.916 1.00 0.00 H new ATOM 31 N THR A 3 1.398 -5.204 -2.180 1.00 0.00 N ATOM 32 CA THR A 3 0.252 -6.095 -2.058 1.00 0.00 C ATOM 33 C THR A 3 -0.928 -5.388 -1.403 1.00 0.00 C ATOM 34 O THR A 3 -1.651 -5.979 -0.600 1.00 0.00 O ATOM 35 CB THR A 3 0.603 -7.351 -1.238 1.00 0.00 C ATOM 36 OG1 THR A 3 1.354 -6.984 -0.076 1.00 0.00 O ATOM 37 CG2 THR A 3 1.403 -8.338 -2.074 1.00 0.00 C ATOM 0 H THR A 3 1.958 -5.119 -1.332 1.00 0.00 H new ATOM 0 HA THR A 3 -0.024 -6.395 -3.069 1.00 0.00 H new ATOM 0 HB THR A 3 -0.328 -7.829 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.810 -6.401 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.639 -9.216 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.816 -8.639 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.328 -7.867 -2.407 1.00 0.00 H new ATOM 45 N ASP A 4 -1.118 -4.119 -1.749 1.00 0.00 N ATOM 46 CA ASP A 4 -2.213 -3.331 -1.196 1.00 0.00 C ATOM 47 C ASP A 4 -3.538 -3.707 -1.851 1.00 0.00 C ATOM 48 O ASP A 4 -4.446 -4.212 -1.190 1.00 0.00 O ATOM 49 CB ASP A 4 -1.941 -1.838 -1.385 1.00 0.00 C ATOM 50 CG ASP A 4 -3.042 -0.971 -0.808 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.685 -1.403 0.171 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.262 0.140 -1.336 1.00 0.00 O ATOM 0 H ASP A 4 -0.527 -3.614 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.282 -3.547 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.994 -1.581 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.833 -1.623 -2.448 1.00 0.00 H new ATOM 57 N ILE A 5 -3.642 -3.455 -3.151 1.00 0.00 N ATOM 58 CA ILE A 5 -4.856 -3.767 -3.895 1.00 0.00 C ATOM 59 C ILE A 5 -5.219 -5.242 -3.761 1.00 0.00 C ATOM 60 O ILE A 5 -6.382 -5.623 -3.907 1.00 0.00 O ATOM 61 CB ILE A 5 -4.707 -3.420 -5.388 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.069 -3.069 -5.991 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.071 -4.580 -6.140 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.195 -1.617 -6.393 1.00 0.00 C ATOM 0 H ILE A 5 -2.900 -3.035 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.653 -3.159 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.055 -2.551 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.243 -3.696 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.850 -3.307 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.972 -4.320 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.085 -4.787 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.699 -5.465 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.185 -1.440 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.053 -0.983 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.437 -1.379 -7.139 1.00 0.00 H new ATOM 76 N LEU A 6 -4.218 -6.069 -3.480 1.00 0.00 N ATOM 77 CA LEU A 6 -4.431 -7.504 -3.324 1.00 0.00 C ATOM 78 C LEU A 6 -4.108 -7.951 -1.902 1.00 0.00 C ATOM 79 O LEU A 6 -3.926 -7.125 -1.008 1.00 0.00 O ATOM 80 CB LEU A 6 -3.570 -8.279 -4.323 1.00 0.00 C ATOM 81 CG LEU A 6 -4.307 -9.289 -5.203 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.847 -8.614 -6.454 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.389 -10.445 -5.572 1.00 0.00 C ATOM 0 H LEU A 6 -3.251 -5.771 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.482 -7.714 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.067 -7.562 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.794 -8.808 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.150 -9.687 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.368 -9.349 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.540 -7.822 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.021 -8.187 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.930 -11.154 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.526 -10.064 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.052 -10.946 -4.665 1.00 0.00 H new ATOM 95 N SER A 7 -4.036 -9.263 -1.702 1.00 0.00 N ATOM 96 CA SER A 7 -3.736 -9.820 -0.388 1.00 0.00 C ATOM 97 C SER A 7 -2.277 -10.260 -0.305 1.00 0.00 C ATOM 98 O SER A 7 -1.776 -11.001 -1.151 1.00 0.00 O ATOM 99 CB SER A 7 -4.656 -11.006 -0.092 1.00 0.00 C ATOM 100 OG SER A 7 -4.999 -11.054 1.282 1.00 0.00 O ATOM 0 H SER A 7 -4.181 -9.960 -2.433 1.00 0.00 H new ATOM 0 HA SER A 7 -3.906 -9.043 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.561 -10.927 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.162 -11.934 -0.380 1.00 0.00 H new ATOM 0 HG SER A 7 -5.589 -11.819 1.445 1.00 0.00 H new ATOM 106 N PRO A 8 -1.578 -9.793 0.740 1.00 0.00 N ATOM 107 CA PRO A 8 -0.167 -10.125 0.960 1.00 0.00 C ATOM 108 C PRO A 8 0.030 -11.584 1.355 1.00 0.00 C ATOM 109 O PRO A 8 1.126 -12.130 1.224 1.00 0.00 O ATOM 110 CB PRO A 8 0.239 -9.200 2.110 1.00 0.00 C ATOM 111 CG PRO A 8 -1.031 -8.915 2.834 1.00 0.00 C ATOM 112 CD PRO A 8 -2.111 -8.906 1.787 1.00 0.00 C ATOM 0 HA PRO A 8 0.429 -9.992 0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.969 -9.678 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.697 -8.283 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.228 -9.674 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.980 -7.956 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.057 -9.275 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.294 -7.901 1.407 1.00 0.00 H new ATOM 120 N SER A 9 -1.037 -12.211 1.839 1.00 0.00 N ATOM 121 CA SER A 9 -0.980 -13.608 2.256 1.00 0.00 C ATOM 122 C SER A 9 -1.432 -14.530 1.128 1.00 0.00 C ATOM 123 O SER A 9 -1.977 -15.607 1.373 1.00 0.00 O ATOM 124 CB SER A 9 -1.854 -13.829 3.492 1.00 0.00 C ATOM 125 OG SER A 9 -1.334 -13.137 4.614 1.00 0.00 O ATOM 0 H SER A 9 -1.952 -11.774 1.952 1.00 0.00 H new ATOM 0 HA SER A 9 0.054 -13.846 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.869 -13.488 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.914 -14.895 3.713 1.00 0.00 H new ATOM 0 HG SER A 9 -1.911 -13.293 5.391 1.00 0.00 H new ATOM 131 N ASP A 10 -1.201 -14.101 -0.108 1.00 0.00 N ATOM 132 CA ASP A 10 -1.583 -14.888 -1.275 1.00 0.00 C ATOM 133 C ASP A 10 -0.399 -15.068 -2.219 1.00 0.00 C ATOM 134 O ASP A 10 -0.255 -16.111 -2.857 1.00 0.00 O ATOM 135 CB ASP A 10 -2.742 -14.216 -2.012 1.00 0.00 C ATOM 136 CG ASP A 10 -3.855 -15.189 -2.350 1.00 0.00 C ATOM 137 OD1 ASP A 10 -3.581 -16.406 -2.413 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.000 -14.733 -2.551 1.00 0.00 O ATOM 0 H ASP A 10 -0.751 -13.212 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.903 -15.872 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.142 -13.410 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.370 -13.761 -2.930 1.00 0.00 H new ATOM 143 N ILE A 11 0.444 -14.045 -2.305 1.00 0.00 N ATOM 144 CA ILE A 11 1.615 -14.090 -3.172 1.00 0.00 C ATOM 145 C ILE A 11 2.657 -15.067 -2.637 1.00 0.00 C ATOM 146 O ILE A 11 3.451 -15.621 -3.396 1.00 0.00 O ATOM 147 CB ILE A 11 2.260 -12.700 -3.321 1.00 0.00 C ATOM 148 CG1 ILE A 11 1.317 -11.754 -4.068 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.593 -12.809 -4.047 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.264 -11.127 -3.182 1.00 0.00 C ATOM 0 H ILE A 11 0.338 -13.174 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 11 1.271 -14.428 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 11 2.442 -12.292 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.904 -10.964 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.825 -12.303 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.036 -11.818 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.265 -13.453 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.434 -13.234 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.368 -10.469 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.348 -11.910 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.748 -10.549 -2.394 1.00 0.00 H new ATOM 162 N ALA A 12 2.648 -15.273 -1.324 1.00 0.00 N ATOM 163 CA ALA A 12 3.589 -16.185 -0.687 1.00 0.00 C ATOM 164 C ALA A 12 3.256 -17.636 -1.017 1.00 0.00 C ATOM 165 O ALA A 12 4.134 -18.499 -1.020 1.00 0.00 O ATOM 166 CB ALA A 12 3.594 -15.972 0.820 1.00 0.00 C ATOM 0 H ALA A 12 1.999 -14.820 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 12 4.584 -15.970 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.302 -16.660 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.888 -14.946 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.596 -16.157 1.217 1.00 0.00 H new ATOM 172 N ALA A 13 1.983 -17.898 -1.294 1.00 0.00 N ATOM 173 CA ALA A 13 1.535 -19.245 -1.626 1.00 0.00 C ATOM 174 C ALA A 13 2.226 -19.758 -2.885 1.00 0.00 C ATOM 175 O ALA A 13 2.240 -20.960 -3.151 1.00 0.00 O ATOM 176 CB ALA A 13 0.024 -19.270 -1.804 1.00 0.00 C ATOM 0 H ALA A 13 1.244 -17.195 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 13 1.804 -19.904 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.296 -20.282 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.457 -18.953 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.259 -18.593 -2.610 1.00 0.00 H new ATOM 182 N ALA A 14 2.798 -18.840 -3.657 1.00 0.00 N ATOM 183 CA ALA A 14 3.492 -19.201 -4.887 1.00 0.00 C ATOM 184 C ALA A 14 5.002 -19.065 -4.725 1.00 0.00 C ATOM 185 O ALA A 14 5.769 -19.860 -5.271 1.00 0.00 O ATOM 186 CB ALA A 14 3.003 -18.338 -6.041 1.00 0.00 C ATOM 0 H ALA A 14 2.794 -17.841 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 14 3.269 -20.245 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.530 -18.618 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.932 -18.488 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.196 -17.289 -5.818 1.00 0.00 H new ATOM 192 N LEU A 15 5.424 -18.054 -3.974 1.00 0.00 N ATOM 193 CA LEU A 15 6.844 -17.814 -3.741 1.00 0.00 C ATOM 194 C LEU A 15 7.519 -19.056 -3.170 1.00 0.00 C ATOM 195 O LEU A 15 8.722 -19.255 -3.341 1.00 0.00 O ATOM 196 CB LEU A 15 7.031 -16.633 -2.787 1.00 0.00 C ATOM 197 CG LEU A 15 6.689 -15.254 -3.350 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.705 -14.207 -2.247 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.658 -14.875 -4.461 1.00 0.00 C ATOM 0 H LEU A 15 4.803 -17.387 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 15 7.310 -17.578 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.416 -16.805 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.069 -16.621 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 15 5.684 -15.294 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.459 -13.232 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.971 -14.469 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.697 -14.168 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.399 -13.890 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.674 -14.853 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.596 -15.610 -5.264 1.00 0.00 H new ATOM 211 N ARG A 16 6.738 -19.890 -2.492 1.00 0.00 N ATOM 212 CA ARG A 16 7.260 -21.114 -1.897 1.00 0.00 C ATOM 213 C ARG A 16 7.018 -22.311 -2.812 1.00 0.00 C ATOM 214 O ARG A 16 7.709 -23.325 -2.720 1.00 0.00 O ATOM 215 CB ARG A 16 6.611 -21.362 -0.534 1.00 0.00 C ATOM 216 CG ARG A 16 7.343 -22.390 0.312 1.00 0.00 C ATOM 217 CD ARG A 16 6.873 -23.803 0.003 1.00 0.00 C ATOM 218 NE ARG A 16 6.440 -24.511 1.205 1.00 0.00 N ATOM 219 CZ ARG A 16 5.230 -24.382 1.738 1.00 0.00 C ATOM 220 NH1 ARG A 16 4.337 -23.577 1.179 1.00 0.00 N ATOM 221 NH2 ARG A 16 4.911 -25.060 2.834 1.00 0.00 N ATOM 0 H ARG A 16 5.740 -19.740 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 16 8.335 -20.992 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.565 -20.420 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.584 -21.694 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.415 -22.314 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.182 -22.175 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.050 -23.763 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.681 -24.358 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 16 7.103 -25.139 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.578 -23.054 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.409 -23.480 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.595 -25.680 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.982 -24.961 3.243 1.00 0.00 H new ATOM 235 N ASP A 17 6.033 -22.184 -3.695 1.00 0.00 N ATOM 236 CA ASP A 17 5.700 -23.254 -4.628 1.00 0.00 C ATOM 237 C ASP A 17 6.220 -22.937 -6.026 1.00 0.00 C ATOM 238 O ASP A 17 5.743 -23.493 -7.017 1.00 0.00 O ATOM 239 CB ASP A 17 4.187 -23.471 -4.669 1.00 0.00 C ATOM 240 CG ASP A 17 3.815 -24.882 -5.080 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.872 -25.180 -6.292 1.00 0.00 O ATOM 242 OD2 ASP A 17 3.466 -25.687 -4.192 1.00 0.00 O ATOM 0 H ASP A 17 5.451 -21.351 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 17 6.180 -24.169 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.766 -23.259 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.740 -22.763 -5.367 1.00 0.00 H new ATOM 247 N CYS A 18 7.197 -22.040 -6.099 1.00 0.00 N ATOM 248 CA CYS A 18 7.780 -21.647 -7.377 1.00 0.00 C ATOM 249 C CYS A 18 9.303 -21.612 -7.292 1.00 0.00 C ATOM 250 O CYS A 18 9.975 -21.170 -8.224 1.00 0.00 O ATOM 251 CB CYS A 18 7.249 -20.279 -7.805 1.00 0.00 C ATOM 252 SG CYS A 18 8.097 -18.883 -7.029 1.00 0.00 S ATOM 0 H CYS A 18 7.602 -21.571 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 18 7.493 -22.389 -8.122 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.339 -20.189 -8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.187 -20.223 -7.567 1.00 0.00 H new ATOM 0 HG CYS A 18 7.967 -17.827 -7.775 1.00 0.00 H new ATOM 258 N GLN A 19 9.839 -22.078 -6.169 1.00 0.00 N ATOM 259 CA GLN A 19 11.282 -22.096 -5.962 1.00 0.00 C ATOM 260 C GLN A 19 11.976 -22.921 -7.041 1.00 0.00 C ATOM 261 O GLN A 19 13.171 -22.758 -7.287 1.00 0.00 O ATOM 262 CB GLN A 19 11.613 -22.662 -4.580 1.00 0.00 C ATOM 263 CG GLN A 19 11.000 -24.028 -4.319 1.00 0.00 C ATOM 264 CD GLN A 19 10.976 -24.386 -2.846 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.507 -25.419 -2.437 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.359 -23.531 -2.038 1.00 0.00 N ATOM 0 H GLN A 19 9.296 -22.448 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 19 11.645 -21.070 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.696 -22.733 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.264 -21.965 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.983 -24.046 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.564 -24.785 -4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.932 -22.687 -2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.312 -23.719 -1.037 1.00 0.00 H new ATOM 275 N ALA A 20 11.219 -23.806 -7.681 1.00 0.00 N ATOM 276 CA ALA A 20 11.761 -24.654 -8.735 1.00 0.00 C ATOM 277 C ALA A 20 12.133 -23.833 -9.965 1.00 0.00 C ATOM 278 O ALA A 20 11.662 -22.712 -10.158 1.00 0.00 O ATOM 279 CB ALA A 20 10.761 -25.740 -9.106 1.00 0.00 C ATOM 0 H ALA A 20 10.228 -23.954 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 20 12.669 -25.124 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.179 -26.366 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.548 -26.353 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.838 -25.280 -9.459 1.00 0.00 H new ATOM 285 N PRO A 21 12.999 -24.400 -10.817 1.00 0.00 N ATOM 286 CA PRO A 21 13.453 -23.737 -12.043 1.00 0.00 C ATOM 287 C PRO A 21 12.347 -23.627 -13.086 1.00 0.00 C ATOM 288 O PRO A 21 11.633 -24.594 -13.353 1.00 0.00 O ATOM 289 CB PRO A 21 14.574 -24.651 -12.546 1.00 0.00 C ATOM 290 CG PRO A 21 14.252 -25.991 -11.981 1.00 0.00 C ATOM 291 CD PRO A 21 13.601 -25.734 -10.650 1.00 0.00 C ATOM 0 HA PRO A 21 13.771 -22.711 -11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.604 -24.678 -13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.550 -24.303 -12.208 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.584 -26.543 -12.642 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.154 -26.592 -11.865 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.849 -26.488 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.328 -25.748 -9.838 1.00 0.00 H new ATOM 299 N ASP A 22 12.210 -22.444 -13.674 1.00 0.00 N ATOM 300 CA ASP A 22 11.191 -22.208 -14.690 1.00 0.00 C ATOM 301 C ASP A 22 9.810 -22.601 -14.176 1.00 0.00 C ATOM 302 O ASP A 22 8.924 -22.953 -14.955 1.00 0.00 O ATOM 303 CB ASP A 22 11.518 -22.991 -15.963 1.00 0.00 C ATOM 304 CG ASP A 22 10.769 -22.469 -17.173 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.041 -21.464 -17.032 1.00 0.00 O ATOM 306 OD2 ASP A 22 10.911 -23.065 -18.261 1.00 0.00 O ATOM 0 H ASP A 22 12.792 -21.633 -13.464 1.00 0.00 H new ATOM 0 HA ASP A 22 11.183 -21.143 -14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.590 -22.939 -16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.272 -24.042 -15.813 1.00 0.00 H new ATOM 311 N SER A 23 9.634 -22.540 -12.860 1.00 0.00 N ATOM 312 CA SER A 23 8.362 -22.894 -12.242 1.00 0.00 C ATOM 313 C SER A 23 7.557 -21.644 -11.900 1.00 0.00 C ATOM 314 O SER A 23 6.352 -21.715 -11.657 1.00 0.00 O ATOM 315 CB SER A 23 8.599 -23.723 -10.978 1.00 0.00 C ATOM 316 OG SER A 23 8.280 -25.087 -11.195 1.00 0.00 O ATOM 0 H SER A 23 10.356 -22.249 -12.201 1.00 0.00 H new ATOM 0 HA SER A 23 7.792 -23.488 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.641 -23.634 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.992 -23.330 -10.162 1.00 0.00 H new ATOM 0 HG SER A 23 7.828 -25.447 -10.403 1.00 0.00 H new ATOM 322 N PHE A 24 8.232 -20.500 -11.882 1.00 0.00 N ATOM 323 CA PHE A 24 7.582 -19.233 -11.569 1.00 0.00 C ATOM 324 C PHE A 24 7.319 -18.428 -12.838 1.00 0.00 C ATOM 325 O PHE A 24 8.113 -18.455 -13.779 1.00 0.00 O ATOM 326 CB PHE A 24 8.444 -18.417 -10.603 1.00 0.00 C ATOM 327 CG PHE A 24 7.750 -17.200 -10.062 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.469 -17.291 -9.542 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.379 -15.965 -10.073 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.828 -16.173 -9.042 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.743 -14.844 -9.575 1.00 0.00 C ATOM 332 CZ PHE A 24 6.465 -14.948 -9.060 1.00 0.00 C ATOM 0 H PHE A 24 9.230 -20.424 -12.081 1.00 0.00 H new ATOM 0 HA PHE A 24 6.626 -19.452 -11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.745 -19.054 -9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.356 -18.108 -11.114 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.966 -18.246 -9.527 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.377 -15.878 -10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.830 -16.258 -8.638 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.244 -13.887 -9.588 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.965 -14.073 -8.672 1.00 0.00 H new ATOM 342 N SER A 25 6.200 -17.712 -12.857 1.00 0.00 N ATOM 343 CA SER A 25 5.829 -16.902 -14.012 1.00 0.00 C ATOM 344 C SER A 25 4.658 -15.983 -13.678 1.00 0.00 C ATOM 345 O SER A 25 3.856 -16.257 -12.785 1.00 0.00 O ATOM 346 CB SER A 25 5.466 -17.801 -15.196 1.00 0.00 C ATOM 347 OG SER A 25 4.458 -18.731 -14.840 1.00 0.00 O ATOM 0 H SER A 25 5.534 -17.676 -12.085 1.00 0.00 H new ATOM 0 HA SER A 25 6.686 -16.285 -14.283 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.122 -17.189 -16.030 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.353 -18.334 -15.537 1.00 0.00 H new ATOM 0 HG SER A 25 4.243 -19.292 -15.614 1.00 0.00 H new ATOM 353 N PRO A 26 4.557 -14.865 -14.412 1.00 0.00 N ATOM 354 CA PRO A 26 3.488 -13.882 -14.214 1.00 0.00 C ATOM 355 C PRO A 26 2.126 -14.410 -14.652 1.00 0.00 C ATOM 356 O PRO A 26 1.086 -13.910 -14.222 1.00 0.00 O ATOM 357 CB PRO A 26 3.916 -12.709 -15.098 1.00 0.00 C ATOM 358 CG PRO A 26 4.773 -13.321 -16.152 1.00 0.00 C ATOM 359 CD PRO A 26 5.478 -14.475 -15.493 1.00 0.00 C ATOM 0 HA PRO A 26 3.366 -13.619 -13.163 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.053 -12.206 -15.533 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.466 -11.962 -14.525 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.172 -13.661 -16.995 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.489 -12.597 -16.542 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.647 -15.294 -16.192 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.453 -14.181 -15.104 1.00 0.00 H new ATOM 367 N LYS A 27 2.138 -15.425 -15.509 1.00 0.00 N ATOM 368 CA LYS A 27 0.904 -16.023 -16.005 1.00 0.00 C ATOM 369 C LYS A 27 0.563 -17.291 -15.228 1.00 0.00 C ATOM 370 O LYS A 27 -0.272 -18.088 -15.655 1.00 0.00 O ATOM 371 CB LYS A 27 1.033 -16.346 -17.496 1.00 0.00 C ATOM 372 CG LYS A 27 2.185 -17.281 -17.819 1.00 0.00 C ATOM 373 CD LYS A 27 1.995 -17.954 -19.168 1.00 0.00 C ATOM 374 CE LYS A 27 0.970 -19.075 -19.092 1.00 0.00 C ATOM 375 NZ LYS A 27 1.226 -20.131 -20.109 1.00 0.00 N ATOM 0 H LYS A 27 2.989 -15.851 -15.875 1.00 0.00 H new ATOM 0 HA LYS A 27 0.098 -15.303 -15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.103 -16.796 -17.843 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.164 -15.417 -18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.120 -16.721 -17.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.268 -18.040 -17.041 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.674 -17.215 -19.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.948 -18.354 -19.514 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.989 -19.518 -18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.029 -18.664 -19.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.506 -20.877 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.182 -19.714 -21.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.169 -20.541 -19.954 1.00 0.00 H new ATOM 389 N LYS A 28 1.214 -17.470 -14.083 1.00 0.00 N ATOM 390 CA LYS A 28 0.979 -18.639 -13.244 1.00 0.00 C ATOM 391 C LYS A 28 0.558 -18.223 -11.838 1.00 0.00 C ATOM 392 O LYS A 28 -0.323 -18.837 -11.236 1.00 0.00 O ATOM 393 CB LYS A 28 2.238 -19.506 -13.176 1.00 0.00 C ATOM 394 CG LYS A 28 2.111 -20.691 -12.235 1.00 0.00 C ATOM 395 CD LYS A 28 1.086 -21.694 -12.736 1.00 0.00 C ATOM 396 CE LYS A 28 1.635 -22.524 -13.886 1.00 0.00 C ATOM 397 NZ LYS A 28 2.424 -23.691 -13.401 1.00 0.00 N ATOM 0 H LYS A 28 1.909 -16.820 -13.715 1.00 0.00 H new ATOM 0 HA LYS A 28 0.171 -19.219 -13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.472 -19.871 -14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.078 -18.888 -12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.080 -21.180 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.824 -20.340 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.790 -22.352 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.189 -21.167 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.810 -22.876 -14.506 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.264 -21.897 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.781 -24.231 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.226 -23.355 -12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.817 -24.303 -12.819 1.00 0.00 H new ATOM 411 N PHE A 29 1.193 -17.177 -11.321 1.00 0.00 N ATOM 412 CA PHE A 29 0.884 -16.679 -9.985 1.00 0.00 C ATOM 413 C PHE A 29 -0.345 -15.775 -10.013 1.00 0.00 C ATOM 414 O PHE A 29 -0.943 -15.489 -8.975 1.00 0.00 O ATOM 415 CB PHE A 29 2.080 -15.915 -9.414 1.00 0.00 C ATOM 416 CG PHE A 29 2.023 -14.435 -9.667 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.173 -13.933 -10.949 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.819 -13.547 -8.623 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.122 -12.572 -11.185 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.767 -12.185 -8.853 1.00 0.00 C ATOM 421 CZ PHE A 29 1.917 -11.697 -10.136 1.00 0.00 C ATOM 0 H PHE A 29 1.925 -16.657 -11.806 1.00 0.00 H new ATOM 0 HA PHE A 29 0.669 -17.535 -9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.133 -16.090 -8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.997 -16.315 -9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.332 -14.612 -11.773 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.699 -13.923 -7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.242 -12.193 -12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.609 -11.503 -8.030 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.874 -10.633 -10.319 1.00 0.00 H new ATOM 431 N PHE A 30 -0.717 -15.328 -11.208 1.00 0.00 N ATOM 432 CA PHE A 30 -1.873 -14.455 -11.372 1.00 0.00 C ATOM 433 C PHE A 30 -3.113 -15.069 -10.729 1.00 0.00 C ATOM 434 O PHE A 30 -4.018 -14.355 -10.296 1.00 0.00 O ATOM 435 CB PHE A 30 -2.133 -14.191 -12.857 1.00 0.00 C ATOM 436 CG PHE A 30 -2.834 -15.322 -13.553 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.182 -16.523 -13.782 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.145 -15.184 -13.980 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.825 -17.566 -14.422 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.793 -16.224 -14.620 1.00 0.00 C ATOM 441 CZ PHE A 30 -4.131 -17.416 -14.842 1.00 0.00 C ATOM 0 H PHE A 30 -0.234 -15.556 -12.077 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.657 -13.510 -10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.732 -13.286 -12.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.183 -14.001 -13.356 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.159 -16.646 -13.457 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.666 -14.253 -13.811 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.306 -18.497 -14.593 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.816 -16.105 -14.946 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.635 -18.229 -15.343 1.00 0.00 H new ATOM 451 N GLN A 31 -3.147 -16.396 -10.670 1.00 0.00 N ATOM 452 CA GLN A 31 -4.276 -17.106 -10.081 1.00 0.00 C ATOM 453 C GLN A 31 -4.008 -17.434 -8.616 1.00 0.00 C ATOM 454 O GLN A 31 -4.931 -17.481 -7.802 1.00 0.00 O ATOM 455 CB GLN A 31 -4.561 -18.391 -10.860 1.00 0.00 C ATOM 456 CG GLN A 31 -3.573 -19.510 -10.570 1.00 0.00 C ATOM 457 CD GLN A 31 -3.396 -20.452 -11.744 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.369 -20.970 -12.292 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.148 -20.678 -12.139 1.00 0.00 N ATOM 0 H GLN A 31 -2.406 -17.001 -11.023 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.149 -16.456 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.567 -18.735 -10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.544 -18.170 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.607 -19.078 -10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.915 -20.076 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.371 -20.227 -11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.967 -21.302 -12.925 1.00 0.00 H new ATOM 468 N ILE A 32 -2.741 -17.662 -8.288 1.00 0.00 N ATOM 469 CA ILE A 32 -2.352 -17.985 -6.921 1.00 0.00 C ATOM 470 C ILE A 32 -2.519 -16.780 -6.003 1.00 0.00 C ATOM 471 O ILE A 32 -3.091 -16.887 -4.918 1.00 0.00 O ATOM 472 CB ILE A 32 -0.893 -18.473 -6.851 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.721 -19.755 -7.668 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.479 -18.700 -5.405 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.653 -19.898 -8.285 1.00 0.00 C ATOM 0 H ILE A 32 -1.966 -17.629 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.010 -18.787 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.248 -17.704 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.913 -20.614 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.470 -19.775 -8.460 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.555 -19.045 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.568 -17.766 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.127 -19.452 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.703 -20.829 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.841 -19.058 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.406 -19.910 -7.497 1.00 0.00 H new ATOM 487 N SER A 33 -2.016 -15.631 -6.445 1.00 0.00 N ATOM 488 CA SER A 33 -2.107 -14.405 -5.662 1.00 0.00 C ATOM 489 C SER A 33 -3.518 -13.827 -5.720 1.00 0.00 C ATOM 490 O SER A 33 -4.122 -13.531 -4.690 1.00 0.00 O ATOM 491 CB SER A 33 -1.099 -13.373 -6.173 1.00 0.00 C ATOM 492 OG SER A 33 -1.425 -12.948 -7.485 1.00 0.00 O ATOM 0 H SER A 33 -1.541 -15.524 -7.341 1.00 0.00 H new ATOM 0 HA SER A 33 -1.875 -14.647 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.082 -12.514 -5.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.098 -13.803 -6.165 1.00 0.00 H new ATOM 0 HG SER A 33 -1.311 -13.695 -8.109 1.00 0.00 H new ATOM 498 N GLY A 34 -4.036 -13.668 -6.934 1.00 0.00 N ATOM 499 CA GLY A 34 -5.371 -13.125 -7.106 1.00 0.00 C ATOM 500 C GLY A 34 -5.399 -11.939 -8.049 1.00 0.00 C ATOM 501 O GLY A 34 -6.202 -11.022 -7.880 1.00 0.00 O ATOM 0 H GLY A 34 -3.555 -13.906 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.030 -13.904 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.764 -12.823 -6.135 1.00 0.00 H new ATOM 505 N MET A 35 -4.517 -11.955 -9.043 1.00 0.00 N ATOM 506 CA MET A 35 -4.444 -10.872 -10.016 1.00 0.00 C ATOM 507 C MET A 35 -5.477 -11.063 -11.122 1.00 0.00 C ATOM 508 O MET A 35 -5.878 -10.105 -11.782 1.00 0.00 O ATOM 509 CB MET A 35 -3.040 -10.795 -10.621 1.00 0.00 C ATOM 510 CG MET A 35 -2.005 -10.201 -9.680 1.00 0.00 C ATOM 511 SD MET A 35 -0.823 -9.137 -10.531 1.00 0.00 S ATOM 512 CE MET A 35 -0.312 -10.206 -11.874 1.00 0.00 C ATOM 0 H MET A 35 -3.843 -12.706 -9.196 1.00 0.00 H new ATOM 0 HA MET A 35 -4.661 -9.937 -9.499 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.723 -11.797 -10.911 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.078 -10.196 -11.531 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.512 -9.627 -8.904 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.468 -11.008 -9.181 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.750 -10.061 -12.071 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.492 -11.246 -11.600 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.883 -9.963 -12.770 1.00 0.00 H new ATOM 522 N SER A 36 -5.903 -12.307 -11.319 1.00 0.00 N ATOM 523 CA SER A 36 -6.886 -12.624 -12.348 1.00 0.00 C ATOM 524 C SER A 36 -8.133 -11.759 -12.193 1.00 0.00 C ATOM 525 O SER A 36 -8.779 -11.397 -13.177 1.00 0.00 O ATOM 526 CB SER A 36 -7.267 -14.104 -12.281 1.00 0.00 C ATOM 527 OG SER A 36 -7.602 -14.603 -13.564 1.00 0.00 O ATOM 0 H SER A 36 -5.583 -13.111 -10.780 1.00 0.00 H new ATOM 0 HA SER A 36 -6.438 -12.415 -13.320 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.437 -14.678 -11.869 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.112 -14.235 -11.604 1.00 0.00 H new ATOM 0 HG SER A 36 -6.812 -15.016 -13.971 1.00 0.00 H new ATOM 533 N LYS A 37 -8.466 -11.431 -10.949 1.00 0.00 N ATOM 534 CA LYS A 37 -9.635 -10.607 -10.662 1.00 0.00 C ATOM 535 C LYS A 37 -9.453 -9.195 -11.208 1.00 0.00 C ATOM 536 O LYS A 37 -10.423 -8.527 -11.566 1.00 0.00 O ATOM 537 CB LYS A 37 -9.888 -10.553 -9.153 1.00 0.00 C ATOM 538 CG LYS A 37 -9.802 -11.909 -8.473 1.00 0.00 C ATOM 539 CD LYS A 37 -10.750 -11.999 -7.289 1.00 0.00 C ATOM 540 CE LYS A 37 -10.139 -11.388 -6.038 1.00 0.00 C ATOM 541 NZ LYS A 37 -11.009 -11.582 -4.845 1.00 0.00 N ATOM 0 H LYS A 37 -7.943 -11.723 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.497 -11.059 -11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.163 -9.880 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.875 -10.128 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.040 -12.693 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.780 -12.084 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.682 -11.486 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.000 -13.043 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.163 -11.838 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.974 -10.323 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.558 -11.152 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.931 -11.131 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.146 -12.599 -4.677 1.00 0.00 H new ATOM 555 N LYS A 38 -8.204 -8.746 -11.271 1.00 0.00 N ATOM 556 CA LYS A 38 -7.894 -7.414 -11.777 1.00 0.00 C ATOM 557 C LYS A 38 -8.522 -7.193 -13.149 1.00 0.00 C ATOM 558 O LYS A 38 -9.095 -8.111 -13.735 1.00 0.00 O ATOM 559 CB LYS A 38 -6.378 -7.218 -11.861 1.00 0.00 C ATOM 560 CG LYS A 38 -5.667 -7.404 -10.532 1.00 0.00 C ATOM 561 CD LYS A 38 -6.315 -6.581 -9.432 1.00 0.00 C ATOM 562 CE LYS A 38 -7.303 -7.409 -8.624 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.367 -6.966 -7.204 1.00 0.00 N ATOM 0 H LYS A 38 -7.389 -9.285 -10.978 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.311 -6.683 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.968 -7.923 -12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.170 -6.217 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.682 -8.458 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.621 -7.116 -10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.544 -6.185 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.829 -5.726 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.293 -7.333 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.015 -8.459 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.383 -7.799 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.533 -6.385 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.229 -6.404 -7.054 1.00 0.00 H new ATOM 577 N SER A 39 -8.410 -5.969 -13.656 1.00 0.00 N ATOM 578 CA SER A 39 -8.970 -5.627 -14.959 1.00 0.00 C ATOM 579 C SER A 39 -8.205 -4.469 -15.591 1.00 0.00 C ATOM 580 O SER A 39 -8.798 -3.574 -16.193 1.00 0.00 O ATOM 581 CB SER A 39 -10.449 -5.262 -14.822 1.00 0.00 C ATOM 582 OG SER A 39 -11.262 -6.423 -14.810 1.00 0.00 O ATOM 0 H SER A 39 -7.937 -5.198 -13.185 1.00 0.00 H new ATOM 0 HA SER A 39 -8.877 -6.498 -15.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.604 -4.696 -13.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.745 -4.615 -15.648 1.00 0.00 H new ATOM 0 HG SER A 39 -10.730 -7.192 -14.518 1.00 0.00 H new ATOM 588 N SER A 40 -6.883 -4.493 -15.450 1.00 0.00 N ATOM 589 CA SER A 40 -6.036 -3.444 -16.004 1.00 0.00 C ATOM 590 C SER A 40 -6.339 -2.099 -15.350 1.00 0.00 C ATOM 591 O SER A 40 -5.955 -1.047 -15.861 1.00 0.00 O ATOM 592 CB SER A 40 -6.235 -3.344 -17.517 1.00 0.00 C ATOM 593 OG SER A 40 -7.137 -2.301 -17.845 1.00 0.00 O ATOM 0 H SER A 40 -6.376 -5.228 -14.957 1.00 0.00 H new ATOM 0 HA SER A 40 -4.998 -3.703 -15.798 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.275 -3.165 -18.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.614 -4.291 -17.900 1.00 0.00 H new ATOM 0 HG SER A 40 -7.993 -2.454 -17.393 1.00 0.00 H new ATOM 599 N SER A 41 -7.030 -2.143 -14.215 1.00 0.00 N ATOM 600 CA SER A 41 -7.388 -0.928 -13.491 1.00 0.00 C ATOM 601 C SER A 41 -6.670 -0.865 -12.147 1.00 0.00 C ATOM 602 O SER A 41 -6.683 0.164 -11.473 1.00 0.00 O ATOM 603 CB SER A 41 -8.902 -0.865 -13.277 1.00 0.00 C ATOM 604 OG SER A 41 -9.326 0.463 -13.024 1.00 0.00 O ATOM 0 H SER A 41 -7.353 -3.006 -13.777 1.00 0.00 H new ATOM 0 HA SER A 41 -7.076 -0.072 -14.090 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.413 -1.252 -14.158 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.181 -1.505 -12.440 1.00 0.00 H new ATOM 0 HG SER A 41 -8.678 0.907 -12.439 1.00 0.00 H new ATOM 610 N GLN A 42 -6.045 -1.974 -11.764 1.00 0.00 N ATOM 611 CA GLN A 42 -5.322 -2.045 -10.500 1.00 0.00 C ATOM 612 C GLN A 42 -3.894 -2.535 -10.717 1.00 0.00 C ATOM 613 O GLN A 42 -3.067 -2.493 -9.805 1.00 0.00 O ATOM 614 CB GLN A 42 -6.049 -2.972 -9.524 1.00 0.00 C ATOM 615 CG GLN A 42 -7.514 -2.619 -9.327 1.00 0.00 C ATOM 616 CD GLN A 42 -8.448 -3.661 -9.911 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.446 -4.033 -9.292 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.130 -4.138 -11.108 1.00 0.00 N ATOM 0 H GLN A 42 -6.025 -2.835 -12.311 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.282 -1.042 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.977 -3.997 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.543 -2.939 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.718 -2.510 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.717 -1.654 -9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.294 -3.802 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.722 -4.841 -11.551 1.00 0.00 H new ATOM 627 N LEU A 43 -3.610 -2.999 -11.929 1.00 0.00 N ATOM 628 CA LEU A 43 -2.281 -3.498 -12.266 1.00 0.00 C ATOM 629 C LEU A 43 -1.247 -2.378 -12.202 1.00 0.00 C ATOM 630 O LEU A 43 -0.247 -2.481 -11.491 1.00 0.00 O ATOM 631 CB LEU A 43 -2.288 -4.123 -13.662 1.00 0.00 C ATOM 632 CG LEU A 43 -3.414 -5.117 -13.947 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.114 -5.918 -15.204 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.620 -6.044 -12.758 1.00 0.00 C ATOM 0 H LEU A 43 -4.282 -3.040 -12.695 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.010 -4.260 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.344 -3.320 -14.397 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.335 -4.630 -13.816 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.335 -4.557 -14.110 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.927 -6.620 -15.391 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.018 -5.241 -16.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.182 -6.468 -15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.425 -6.745 -12.978 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.701 -6.597 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.882 -5.455 -11.879 1.00 0.00 H new ATOM 646 N LYS A 44 -1.496 -1.308 -12.949 1.00 0.00 N ATOM 647 CA LYS A 44 -0.589 -0.166 -12.976 1.00 0.00 C ATOM 648 C LYS A 44 -0.874 0.782 -11.815 1.00 0.00 C ATOM 649 O LYS A 44 -0.273 1.851 -11.715 1.00 0.00 O ATOM 650 CB LYS A 44 -0.719 0.583 -14.304 1.00 0.00 C ATOM 651 CG LYS A 44 -1.811 1.639 -14.303 1.00 0.00 C ATOM 652 CD LYS A 44 -3.164 1.041 -13.954 1.00 0.00 C ATOM 653 CE LYS A 44 -4.245 2.109 -13.889 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.777 2.442 -15.240 1.00 0.00 N ATOM 0 H LYS A 44 -2.318 -1.207 -13.544 1.00 0.00 H new ATOM 0 HA LYS A 44 0.430 -0.540 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.234 1.058 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.921 -0.136 -15.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.562 2.421 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.863 2.111 -15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.435 0.292 -14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.100 0.528 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.060 1.763 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.839 3.009 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.511 3.173 -15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.005 2.796 -15.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.187 1.589 -15.672 1.00 0.00 H new ATOM 668 N GLU A 45 -1.792 0.382 -10.941 1.00 0.00 N ATOM 669 CA GLU A 45 -2.154 1.197 -9.788 1.00 0.00 C ATOM 670 C GLU A 45 -1.036 1.199 -8.750 1.00 0.00 C ATOM 671 O GLU A 45 -0.672 2.247 -8.216 1.00 0.00 O ATOM 672 CB GLU A 45 -3.449 0.681 -9.157 1.00 0.00 C ATOM 673 CG GLU A 45 -4.689 1.434 -9.610 1.00 0.00 C ATOM 674 CD GLU A 45 -4.709 2.870 -9.126 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.712 3.083 -7.896 1.00 0.00 O ATOM 676 OE2 GLU A 45 -4.720 3.783 -9.979 1.00 0.00 O ATOM 0 H GLU A 45 -2.298 -0.501 -11.010 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.308 2.220 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.566 -0.375 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.368 0.751 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.740 1.421 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.577 0.919 -9.243 1.00 0.00 H new ATOM 683 N ILE A 46 -0.495 0.018 -8.469 1.00 0.00 N ATOM 684 CA ILE A 46 0.581 -0.117 -7.496 1.00 0.00 C ATOM 685 C ILE A 46 1.902 0.390 -8.064 1.00 0.00 C ATOM 686 O ILE A 46 2.735 0.933 -7.337 1.00 0.00 O ATOM 687 CB ILE A 46 0.756 -1.581 -7.049 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.576 -2.149 -6.555 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.815 -1.680 -5.961 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.295 -2.988 -7.588 1.00 0.00 C ATOM 0 H ILE A 46 -0.785 -0.859 -8.902 1.00 0.00 H new ATOM 0 HA ILE A 46 0.303 0.487 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 46 1.086 -2.169 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.396 -2.755 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.223 -1.326 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.927 -2.720 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.766 -1.310 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.512 -1.081 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.231 -3.358 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.506 -2.380 -8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.667 -3.832 -7.873 1.00 0.00 H new ATOM 702 N PHE A 47 2.087 0.212 -9.368 1.00 0.00 N ATOM 703 CA PHE A 47 3.307 0.652 -10.035 1.00 0.00 C ATOM 704 C PHE A 47 4.539 0.038 -9.377 1.00 0.00 C ATOM 705 O PHE A 47 5.573 0.691 -9.239 1.00 0.00 O ATOM 706 CB PHE A 47 3.407 2.179 -10.005 1.00 0.00 C ATOM 707 CG PHE A 47 2.568 2.855 -11.051 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.643 2.463 -12.378 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.704 3.883 -10.708 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.873 3.084 -13.343 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.931 4.507 -11.669 1.00 0.00 C ATOM 712 CZ PHE A 47 1.015 4.107 -12.988 1.00 0.00 C ATOM 0 H PHE A 47 1.407 -0.234 -9.984 1.00 0.00 H new ATOM 0 HA PHE A 47 3.266 0.317 -11.071 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.103 2.536 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.449 2.470 -10.142 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.311 1.663 -12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.634 4.200 -9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.942 2.770 -14.374 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.262 5.307 -11.388 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.411 4.593 -13.740 1.00 0.00 H new ATOM 722 N ARG A 48 4.419 -1.222 -8.971 1.00 0.00 N ATOM 723 CA ARG A 48 5.521 -1.925 -8.326 1.00 0.00 C ATOM 724 C ARG A 48 5.488 -3.413 -8.662 1.00 0.00 C ATOM 725 O ARG A 48 6.130 -4.225 -7.994 1.00 0.00 O ATOM 726 CB ARG A 48 5.460 -1.732 -6.810 1.00 0.00 C ATOM 727 CG ARG A 48 5.706 -0.298 -6.368 1.00 0.00 C ATOM 728 CD ARG A 48 5.861 -0.199 -4.859 1.00 0.00 C ATOM 729 NE ARG A 48 4.586 0.056 -4.193 1.00 0.00 N ATOM 730 CZ ARG A 48 4.485 0.510 -2.949 1.00 0.00 C ATOM 731 NH1 ARG A 48 5.577 0.757 -2.239 1.00 0.00 N ATOM 732 NH2 ARG A 48 3.289 0.718 -2.412 1.00 0.00 N ATOM 0 H ARG A 48 3.570 -1.777 -9.077 1.00 0.00 H new ATOM 0 HA ARG A 48 6.455 -1.506 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.482 -2.051 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.199 -2.380 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.604 0.084 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.877 0.331 -6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.290 -1.125 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.562 0.600 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 48 3.726 -0.124 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.498 0.598 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.496 1.106 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.446 0.529 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.213 1.067 -1.456 1.00 0.00 H new ATOM 746 N ILE A 49 4.735 -3.764 -9.699 1.00 0.00 N ATOM 747 CA ILE A 49 4.618 -5.154 -10.123 1.00 0.00 C ATOM 748 C ILE A 49 4.741 -5.279 -11.637 1.00 0.00 C ATOM 749 O ILE A 49 4.593 -6.367 -12.196 1.00 0.00 O ATOM 750 CB ILE A 49 3.279 -5.769 -9.674 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.114 -5.090 -10.397 1.00 0.00 C ATOM 752 CG2 ILE A 49 3.118 -5.645 -8.167 1.00 0.00 C ATOM 753 CD1 ILE A 49 1.780 -3.719 -9.851 1.00 0.00 C ATOM 0 H ILE A 49 4.197 -3.105 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 49 5.435 -5.698 -9.649 1.00 0.00 H new ATOM 0 HB ILE A 49 3.277 -6.828 -9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.356 -5.001 -11.456 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.232 -5.726 -10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.167 -6.084 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.934 -6.169 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.138 -4.592 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.945 -3.298 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.506 -3.803 -8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.648 -3.067 -9.949 1.00 0.00 H new ATOM 765 N LEU A 50 5.013 -4.159 -12.298 1.00 0.00 N ATOM 766 CA LEU A 50 5.158 -4.142 -13.749 1.00 0.00 C ATOM 767 C LEU A 50 6.491 -3.523 -14.157 1.00 0.00 C ATOM 768 O LEU A 50 7.377 -4.210 -14.665 1.00 0.00 O ATOM 769 CB LEU A 50 4.005 -3.365 -14.387 1.00 0.00 C ATOM 770 CG LEU A 50 2.635 -3.537 -13.731 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.681 -2.446 -14.193 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.065 -4.913 -14.039 1.00 0.00 C ATOM 0 H LEU A 50 5.138 -3.250 -11.852 1.00 0.00 H new ATOM 0 HA LEU A 50 5.134 -5.172 -14.104 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.259 -2.305 -14.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.925 -3.665 -15.432 1.00 0.00 H new ATOM 0 HG LEU A 50 2.757 -3.450 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.711 -2.585 -13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.084 -1.471 -13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.564 -2.500 -15.275 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.090 -5.017 -13.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.958 -5.029 -15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.739 -5.680 -13.657 1.00 0.00 H new ATOM 784 N ASP A 51 6.627 -2.221 -13.927 1.00 0.00 N ATOM 785 CA ASP A 51 7.854 -1.509 -14.267 1.00 0.00 C ATOM 786 C ASP A 51 8.340 -0.672 -13.089 1.00 0.00 C ATOM 787 O ASP A 51 7.640 0.224 -12.620 1.00 0.00 O ATOM 788 CB ASP A 51 7.627 -0.614 -15.486 1.00 0.00 C ATOM 789 CG ASP A 51 6.483 -1.097 -16.356 1.00 0.00 C ATOM 790 OD1 ASP A 51 5.315 -0.920 -15.952 1.00 0.00 O ATOM 791 OD2 ASP A 51 6.757 -1.652 -17.441 1.00 0.00 O ATOM 0 H ASP A 51 5.903 -1.638 -13.507 1.00 0.00 H new ATOM 0 HA ASP A 51 8.620 -2.247 -14.505 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.421 0.403 -15.153 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.540 -0.576 -16.080 1.00 0.00 H new ATOM 796 N ASN A 52 9.545 -0.972 -12.614 1.00 0.00 N ATOM 797 CA ASN A 52 10.125 -0.248 -11.489 1.00 0.00 C ATOM 798 C ASN A 52 10.576 1.147 -11.913 1.00 0.00 C ATOM 799 O ASN A 52 10.145 2.150 -11.344 1.00 0.00 O ATOM 800 CB ASN A 52 11.309 -1.025 -10.911 1.00 0.00 C ATOM 801 CG ASN A 52 12.024 -0.259 -9.815 1.00 0.00 C ATOM 802 OD1 ASN A 52 11.421 0.114 -8.808 1.00 0.00 O ATOM 803 ND2 ASN A 52 13.317 -0.021 -10.005 1.00 0.00 N ATOM 0 H ASN A 52 10.138 -1.711 -12.991 1.00 0.00 H new ATOM 0 HA ASN A 52 9.358 -0.145 -10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.956 -1.977 -10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.014 -1.254 -11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.850 0.489 -9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.776 -0.349 -10.855 1.00 0.00 H new ATOM 810 N ASP A 53 11.445 1.202 -12.916 1.00 0.00 N ATOM 811 CA ASP A 53 11.953 2.473 -13.419 1.00 0.00 C ATOM 812 C ASP A 53 10.872 3.224 -14.190 1.00 0.00 C ATOM 813 O ASP A 53 10.941 4.443 -14.344 1.00 0.00 O ATOM 814 CB ASP A 53 13.169 2.240 -14.317 1.00 0.00 C ATOM 815 CG ASP A 53 12.960 1.097 -15.291 1.00 0.00 C ATOM 816 OD1 ASP A 53 11.791 0.795 -15.608 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.966 0.504 -15.734 1.00 0.00 O ATOM 0 H ASP A 53 11.813 0.381 -13.397 1.00 0.00 H new ATOM 0 HA ASP A 53 12.252 3.080 -12.565 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.386 3.152 -14.873 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.040 2.030 -13.696 1.00 0.00 H new ATOM 822 N GLN A 54 9.876 2.487 -14.672 1.00 0.00 N ATOM 823 CA GLN A 54 8.782 3.084 -15.429 1.00 0.00 C ATOM 824 C GLN A 54 9.315 3.970 -16.549 1.00 0.00 C ATOM 825 O GLN A 54 8.692 4.967 -16.916 1.00 0.00 O ATOM 826 CB GLN A 54 7.879 3.900 -14.502 1.00 0.00 C ATOM 827 CG GLN A 54 6.411 3.860 -14.893 1.00 0.00 C ATOM 828 CD GLN A 54 5.880 2.446 -15.021 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.914 1.853 -16.100 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.385 1.897 -13.918 1.00 0.00 N ATOM 0 H GLN A 54 9.804 1.477 -14.552 1.00 0.00 H new ATOM 0 HA GLN A 54 8.199 2.278 -15.875 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.985 3.526 -13.484 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.217 4.936 -14.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.825 4.398 -14.147 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.277 4.382 -15.841 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.377 2.425 -13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.013 0.948 -13.944 1.00 0.00 H new ATOM 839 N SER A 55 10.472 3.601 -17.090 1.00 0.00 N ATOM 840 CA SER A 55 11.091 4.366 -18.166 1.00 0.00 C ATOM 841 C SER A 55 10.267 4.268 -19.446 1.00 0.00 C ATOM 842 O SER A 55 10.466 5.034 -20.387 1.00 0.00 O ATOM 843 CB SER A 55 12.514 3.865 -18.423 1.00 0.00 C ATOM 844 OG SER A 55 12.551 2.450 -18.493 1.00 0.00 O ATOM 0 H SER A 55 10.999 2.777 -16.801 1.00 0.00 H new ATOM 0 HA SER A 55 11.131 5.411 -17.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.889 4.288 -19.355 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.174 4.210 -17.627 1.00 0.00 H new ATOM 0 HG SER A 55 12.765 2.173 -19.408 1.00 0.00 H new ATOM 850 N GLY A 56 9.338 3.317 -19.473 1.00 0.00 N ATOM 851 CA GLY A 56 8.496 3.134 -20.641 1.00 0.00 C ATOM 852 C GLY A 56 8.566 1.724 -21.191 1.00 0.00 C ATOM 853 O GLY A 56 8.031 1.441 -22.264 1.00 0.00 O ATOM 0 H GLY A 56 9.153 2.670 -18.706 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.464 3.368 -20.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.797 3.838 -21.416 1.00 0.00 H new ATOM 857 N PHE A 57 9.228 0.836 -20.457 1.00 0.00 N ATOM 858 CA PHE A 57 9.368 -0.553 -20.879 1.00 0.00 C ATOM 859 C PHE A 57 10.073 -1.379 -19.807 1.00 0.00 C ATOM 860 O PHE A 57 10.468 -0.855 -18.765 1.00 0.00 O ATOM 861 CB PHE A 57 10.146 -0.633 -22.194 1.00 0.00 C ATOM 862 CG PHE A 57 11.586 -0.227 -22.063 1.00 0.00 C ATOM 863 CD1 PHE A 57 11.929 1.096 -21.838 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.597 -1.169 -22.167 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.254 1.473 -21.717 1.00 0.00 C ATOM 866 CE2 PHE A 57 13.923 -0.798 -22.046 1.00 0.00 C ATOM 867 CZ PHE A 57 14.252 0.525 -21.822 1.00 0.00 C ATOM 0 H PHE A 57 9.676 1.053 -19.567 1.00 0.00 H new ATOM 0 HA PHE A 57 8.369 -0.963 -21.030 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.097 -1.653 -22.574 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.662 0.006 -22.933 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.152 1.842 -21.756 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.346 -2.204 -22.345 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.508 2.508 -21.541 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.702 -1.542 -22.127 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.288 0.817 -21.729 1.00 0.00 H new ATOM 877 N ILE A 58 10.226 -2.672 -20.070 1.00 0.00 N ATOM 878 CA ILE A 58 10.883 -3.570 -19.129 1.00 0.00 C ATOM 879 C ILE A 58 11.976 -4.382 -19.816 1.00 0.00 C ATOM 880 O ILE A 58 11.907 -4.644 -21.016 1.00 0.00 O ATOM 881 CB ILE A 58 9.877 -4.535 -18.475 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.632 -3.773 -18.014 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.523 -5.262 -17.305 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.515 -4.674 -17.535 1.00 0.00 C ATOM 0 H ILE A 58 9.904 -3.121 -20.927 1.00 0.00 H new ATOM 0 HA ILE A 58 11.329 -2.945 -18.356 1.00 0.00 H new ATOM 0 HB ILE A 58 9.574 -5.276 -19.215 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.910 -3.093 -17.209 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.266 -3.160 -18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.799 -5.940 -16.854 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.382 -5.832 -17.660 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.852 -4.535 -16.562 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.665 -4.066 -17.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.210 -5.337 -18.345 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.864 -5.269 -16.691 1.00 0.00 H new ATOM 896 N GLU A 59 12.983 -4.780 -19.045 1.00 0.00 N ATOM 897 CA GLU A 59 14.091 -5.564 -19.579 1.00 0.00 C ATOM 898 C GLU A 59 14.504 -6.659 -18.601 1.00 0.00 C ATOM 899 O GLU A 59 14.047 -6.690 -17.459 1.00 0.00 O ATOM 900 CB GLU A 59 15.286 -4.658 -19.883 1.00 0.00 C ATOM 901 CG GLU A 59 16.151 -5.155 -21.029 1.00 0.00 C ATOM 902 CD GLU A 59 17.006 -4.058 -21.633 1.00 0.00 C ATOM 903 OE1 GLU A 59 16.489 -3.305 -22.484 1.00 0.00 O ATOM 904 OE2 GLU A 59 18.192 -3.953 -21.255 1.00 0.00 O ATOM 0 H GLU A 59 13.055 -4.573 -18.049 1.00 0.00 H new ATOM 0 HA GLU A 59 13.757 -6.035 -20.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.922 -3.658 -20.121 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.901 -4.569 -18.987 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.796 -5.957 -20.671 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.512 -5.581 -21.803 1.00 0.00 H new ATOM 911 N GLU A 60 15.373 -7.556 -19.058 1.00 0.00 N ATOM 912 CA GLU A 60 15.847 -8.654 -18.224 1.00 0.00 C ATOM 913 C GLU A 60 16.504 -8.126 -16.952 1.00 0.00 C ATOM 914 O GLU A 60 16.602 -8.836 -15.951 1.00 0.00 O ATOM 915 CB GLU A 60 16.839 -9.522 -19.000 1.00 0.00 C ATOM 916 CG GLU A 60 16.190 -10.365 -20.086 1.00 0.00 C ATOM 917 CD GLU A 60 15.803 -9.549 -21.304 1.00 0.00 C ATOM 918 OE1 GLU A 60 16.406 -8.476 -21.515 1.00 0.00 O ATOM 919 OE2 GLU A 60 14.898 -9.984 -22.046 1.00 0.00 O ATOM 0 H GLU A 60 15.763 -7.544 -20.001 1.00 0.00 H new ATOM 0 HA GLU A 60 14.986 -9.261 -17.943 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.594 -8.880 -19.453 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.357 -10.180 -18.302 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.877 -11.156 -20.386 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.302 -10.851 -19.682 1.00 0.00 H new ATOM 926 N ASP A 61 16.951 -6.876 -16.999 1.00 0.00 N ATOM 927 CA ASP A 61 17.598 -6.251 -15.851 1.00 0.00 C ATOM 928 C ASP A 61 16.570 -5.861 -14.793 1.00 0.00 C ATOM 929 O ASP A 61 16.925 -5.398 -13.710 1.00 0.00 O ATOM 930 CB ASP A 61 18.388 -5.018 -16.292 1.00 0.00 C ATOM 931 CG ASP A 61 19.263 -4.465 -15.185 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.918 -5.268 -14.488 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.293 -3.228 -15.015 1.00 0.00 O ATOM 0 H ASP A 61 16.877 -6.275 -17.820 1.00 0.00 H new ATOM 0 HA ASP A 61 18.285 -6.975 -15.414 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.011 -5.276 -17.149 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.695 -4.245 -16.623 1.00 0.00 H new ATOM 938 N GLU A 62 15.294 -6.050 -15.117 1.00 0.00 N ATOM 939 CA GLU A 62 14.215 -5.715 -14.195 1.00 0.00 C ATOM 940 C GLU A 62 13.321 -6.926 -13.942 1.00 0.00 C ATOM 941 O GLU A 62 12.150 -6.783 -13.588 1.00 0.00 O ATOM 942 CB GLU A 62 13.382 -4.558 -14.749 1.00 0.00 C ATOM 943 CG GLU A 62 13.908 -3.187 -14.360 1.00 0.00 C ATOM 944 CD GLU A 62 13.044 -2.059 -14.888 1.00 0.00 C ATOM 945 OE1 GLU A 62 12.994 -1.876 -16.122 1.00 0.00 O ATOM 946 OE2 GLU A 62 12.418 -1.358 -14.065 1.00 0.00 O ATOM 0 H GLU A 62 14.983 -6.433 -16.010 1.00 0.00 H new ATOM 0 HA GLU A 62 14.661 -5.410 -13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.352 -4.631 -15.836 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.356 -4.658 -14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.964 -3.118 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.923 -3.070 -14.740 1.00 0.00 H new ATOM 953 N LEU A 63 13.880 -8.116 -14.128 1.00 0.00 N ATOM 954 CA LEU A 63 13.135 -9.353 -13.920 1.00 0.00 C ATOM 955 C LEU A 63 13.720 -10.154 -12.762 1.00 0.00 C ATOM 956 O LEU A 63 12.991 -10.636 -11.895 1.00 0.00 O ATOM 957 CB LEU A 63 13.144 -10.197 -15.196 1.00 0.00 C ATOM 958 CG LEU A 63 12.763 -9.469 -16.485 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.699 -10.444 -17.650 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.433 -8.748 -16.318 1.00 0.00 C ATOM 0 H LEU A 63 14.847 -8.251 -14.423 1.00 0.00 H new ATOM 0 HA LEU A 63 12.106 -9.091 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.141 -10.619 -15.322 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.459 -11.034 -15.059 1.00 0.00 H new ATOM 0 HG LEU A 63 13.532 -8.727 -16.700 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.426 -9.908 -18.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.673 -10.914 -17.785 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.952 -11.210 -17.443 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.178 -8.235 -17.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.654 -9.472 -16.078 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.513 -8.020 -15.511 1.00 0.00 H new ATOM 972 N LYS A 64 15.042 -10.292 -12.753 1.00 0.00 N ATOM 973 CA LYS A 64 15.727 -11.032 -11.700 1.00 0.00 C ATOM 974 C LYS A 64 15.508 -10.373 -10.342 1.00 0.00 C ATOM 975 O LYS A 64 15.841 -10.945 -9.303 1.00 0.00 O ATOM 976 CB LYS A 64 17.225 -11.118 -12.002 1.00 0.00 C ATOM 977 CG LYS A 64 17.955 -9.795 -11.843 1.00 0.00 C ATOM 978 CD LYS A 64 19.454 -9.961 -12.024 1.00 0.00 C ATOM 979 CE LYS A 64 19.871 -9.724 -13.467 1.00 0.00 C ATOM 980 NZ LYS A 64 19.689 -10.943 -14.304 1.00 0.00 N ATOM 0 H LYS A 64 15.660 -9.901 -13.464 1.00 0.00 H new ATOM 0 HA LYS A 64 15.311 -12.039 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.679 -11.855 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.361 -11.478 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.576 -9.079 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.750 -9.382 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.980 -9.263 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.749 -10.965 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.285 -8.906 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.916 -9.415 -13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.338 -10.907 -15.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.893 -11.789 -13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.708 -10.985 -14.647 1.00 0.00 H new ATOM 994 N TYR A 65 14.946 -9.170 -10.357 1.00 0.00 N ATOM 995 CA TYR A 65 14.684 -8.434 -9.126 1.00 0.00 C ATOM 996 C TYR A 65 13.184 -8.270 -8.898 1.00 0.00 C ATOM 997 O TYR A 65 12.703 -7.171 -8.622 1.00 0.00 O ATOM 998 CB TYR A 65 15.357 -7.061 -9.174 1.00 0.00 C ATOM 999 CG TYR A 65 16.853 -7.127 -9.380 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.639 -7.999 -8.637 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.481 -6.317 -10.319 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.006 -8.062 -8.822 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.848 -6.375 -10.511 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.606 -7.248 -9.760 1.00 0.00 C ATOM 1005 OH TYR A 65 20.968 -7.309 -9.947 1.00 0.00 O ATOM 0 H TYR A 65 14.663 -8.684 -11.208 1.00 0.00 H new ATOM 0 HA TYR A 65 15.099 -9.006 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.913 -6.476 -9.980 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.150 -6.531 -8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.173 -8.639 -7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.891 -5.631 -10.908 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.602 -8.745 -8.235 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.320 -5.740 -11.246 1.00 0.00 H new ATOM 0 HH TYR A 65 21.231 -6.673 -10.644 1.00 0.00 H new ATOM 1015 N PHE A 66 12.451 -9.372 -9.016 1.00 0.00 N ATOM 1016 CA PHE A 66 11.005 -9.352 -8.823 1.00 0.00 C ATOM 1017 C PHE A 66 10.640 -9.763 -7.400 1.00 0.00 C ATOM 1018 O PHE A 66 10.074 -8.976 -6.640 1.00 0.00 O ATOM 1019 CB PHE A 66 10.323 -10.285 -9.826 1.00 0.00 C ATOM 1020 CG PHE A 66 8.831 -10.119 -9.881 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.261 -9.090 -10.613 1.00 0.00 C ATOM 1022 CD2 PHE A 66 7.999 -10.991 -9.199 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.889 -8.935 -10.666 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.626 -10.842 -9.248 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.070 -9.811 -9.981 1.00 0.00 C ATOM 0 H PHE A 66 12.834 -10.290 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 66 10.656 -8.333 -8.989 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.737 -10.104 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.556 -11.318 -9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.897 -8.401 -11.149 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.428 -11.797 -8.622 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.458 -8.130 -11.242 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.988 -11.531 -8.714 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.997 -9.690 -10.018 1.00 0.00 H new ATOM 1035 N LEU A 67 10.968 -11.000 -7.046 1.00 0.00 N ATOM 1036 CA LEU A 67 10.675 -11.518 -5.714 1.00 0.00 C ATOM 1037 C LEU A 67 11.227 -10.591 -4.636 1.00 0.00 C ATOM 1038 O LEU A 67 10.745 -10.585 -3.503 1.00 0.00 O ATOM 1039 CB LEU A 67 11.264 -12.920 -5.548 1.00 0.00 C ATOM 1040 CG LEU A 67 10.962 -13.912 -6.672 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.492 -15.294 -6.321 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.466 -13.967 -6.946 1.00 0.00 C ATOM 0 H LEU A 67 11.437 -11.663 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 67 9.592 -11.571 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.346 -12.829 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.895 -13.339 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 67 11.465 -13.571 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.268 -15.987 -7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.571 -15.244 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.017 -15.644 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.269 -14.678 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.942 -14.284 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.114 -12.979 -7.242 1.00 0.00 H new ATOM 1054 N GLN A 68 12.239 -9.809 -4.997 1.00 0.00 N ATOM 1055 CA GLN A 68 12.856 -8.877 -4.060 1.00 0.00 C ATOM 1056 C GLN A 68 11.806 -7.974 -3.420 1.00 0.00 C ATOM 1057 O GLN A 68 12.013 -7.442 -2.329 1.00 0.00 O ATOM 1058 CB GLN A 68 13.910 -8.028 -4.772 1.00 0.00 C ATOM 1059 CG GLN A 68 15.116 -7.702 -3.906 1.00 0.00 C ATOM 1060 CD GLN A 68 16.413 -7.689 -4.691 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.196 -6.744 -4.602 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.646 -8.742 -5.466 1.00 0.00 N ATOM 0 H GLN A 68 12.649 -9.802 -5.931 1.00 0.00 H new ATOM 0 HA GLN A 68 13.338 -9.457 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.246 -8.555 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.450 -7.098 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.970 -6.729 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.190 -8.435 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.969 -9.503 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.502 -8.789 -6.018 1.00 0.00 H new ATOM 1071 N ARG A 69 10.680 -7.806 -4.106 1.00 0.00 N ATOM 1072 CA ARG A 69 9.599 -6.966 -3.604 1.00 0.00 C ATOM 1073 C ARG A 69 8.689 -7.754 -2.666 1.00 0.00 C ATOM 1074 O ARG A 69 8.711 -7.555 -1.451 1.00 0.00 O ATOM 1075 CB ARG A 69 8.783 -6.401 -4.768 1.00 0.00 C ATOM 1076 CG ARG A 69 9.477 -5.267 -5.505 1.00 0.00 C ATOM 1077 CD ARG A 69 9.167 -3.919 -4.872 1.00 0.00 C ATOM 1078 NE ARG A 69 10.019 -3.647 -3.718 1.00 0.00 N ATOM 1079 CZ ARG A 69 11.272 -3.216 -3.814 1.00 0.00 C ATOM 1080 NH1 ARG A 69 11.815 -3.007 -5.006 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.984 -2.991 -2.717 1.00 0.00 N ATOM 0 H ARG A 69 10.493 -8.240 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 69 10.042 -6.142 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.568 -7.204 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.825 -6.044 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.554 -5.434 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.160 -5.262 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.299 -3.131 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.122 -3.895 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 69 9.631 -3.796 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.270 -3.177 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.777 -2.676 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.569 -3.149 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.946 -2.660 -2.792 1.00 0.00 H new ATOM 1095 N PHE A 70 7.890 -8.649 -3.238 1.00 0.00 N ATOM 1096 CA PHE A 70 6.971 -9.465 -2.454 1.00 0.00 C ATOM 1097 C PHE A 70 7.703 -10.161 -1.310 1.00 0.00 C ATOM 1098 O PHE A 70 7.386 -9.952 -0.139 1.00 0.00 O ATOM 1099 CB PHE A 70 6.291 -10.505 -3.346 1.00 0.00 C ATOM 1100 CG PHE A 70 5.343 -9.908 -4.347 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.142 -9.353 -3.938 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.653 -9.904 -5.698 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.267 -8.802 -4.856 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.783 -9.355 -6.620 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.588 -8.804 -6.199 1.00 0.00 C ATOM 0 H PHE A 70 7.861 -8.827 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 70 6.212 -8.808 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.056 -11.073 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.747 -11.211 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.886 -9.350 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.585 -10.335 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.334 -8.371 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.037 -9.357 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.906 -8.376 -6.919 1.00 0.00 H new ATOM 1115 N GLU A 71 8.683 -10.989 -1.659 1.00 0.00 N ATOM 1116 CA GLU A 71 9.459 -11.717 -0.661 1.00 0.00 C ATOM 1117 C GLU A 71 10.010 -10.767 0.398 1.00 0.00 C ATOM 1118 O GLU A 71 9.945 -9.547 0.248 1.00 0.00 O ATOM 1119 CB GLU A 71 10.608 -12.474 -1.330 1.00 0.00 C ATOM 1120 CG GLU A 71 11.052 -13.707 -0.562 1.00 0.00 C ATOM 1121 CD GLU A 71 11.617 -14.786 -1.466 1.00 0.00 C ATOM 1122 OE1 GLU A 71 12.154 -14.438 -2.539 1.00 0.00 O ATOM 1123 OE2 GLU A 71 11.523 -15.976 -1.101 1.00 0.00 O ATOM 0 H GLU A 71 8.958 -11.172 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 71 8.797 -12.432 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.301 -12.772 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.458 -11.801 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.806 -13.421 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.204 -14.110 -0.008 1.00 0.00 H new ATOM 1130 N SER A 72 10.551 -11.336 1.471 1.00 0.00 N ATOM 1131 CA SER A 72 11.109 -10.541 2.558 1.00 0.00 C ATOM 1132 C SER A 72 12.395 -9.848 2.120 1.00 0.00 C ATOM 1133 O SER A 72 12.704 -8.745 2.569 1.00 0.00 O ATOM 1134 CB SER A 72 11.382 -11.425 3.777 1.00 0.00 C ATOM 1135 OG SER A 72 12.093 -10.713 4.774 1.00 0.00 O ATOM 0 H SER A 72 10.614 -12.344 1.610 1.00 0.00 H new ATOM 0 HA SER A 72 10.379 -9.777 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.439 -11.786 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.954 -12.302 3.474 1.00 0.00 H new ATOM 0 HG SER A 72 12.254 -11.299 5.543 1.00 0.00 H new ATOM 1141 N GLY A 73 13.143 -10.505 1.238 1.00 0.00 N ATOM 1142 CA GLY A 73 14.388 -9.938 0.753 1.00 0.00 C ATOM 1143 C GLY A 73 15.063 -10.820 -0.279 1.00 0.00 C ATOM 1144 O GLY A 73 16.200 -11.250 -0.090 1.00 0.00 O ATOM 0 H GLY A 73 12.909 -11.419 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.192 -8.958 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.065 -9.783 1.593 1.00 0.00 H new ATOM 1148 N ALA A 74 14.360 -11.090 -1.374 1.00 0.00 N ATOM 1149 CA ALA A 74 14.898 -11.925 -2.441 1.00 0.00 C ATOM 1150 C ALA A 74 16.251 -11.406 -2.915 1.00 0.00 C ATOM 1151 O ALA A 74 16.704 -10.344 -2.488 1.00 0.00 O ATOM 1152 CB ALA A 74 13.919 -11.992 -3.604 1.00 0.00 C ATOM 0 H ALA A 74 13.416 -10.743 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 74 15.043 -12.930 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.334 -12.619 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.976 -12.417 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.745 -10.988 -3.992 1.00 0.00 H new ATOM 1158 N ARG A 75 16.893 -12.162 -3.799 1.00 0.00 N ATOM 1159 CA ARG A 75 18.196 -11.779 -4.330 1.00 0.00 C ATOM 1160 C ARG A 75 18.184 -11.783 -5.855 1.00 0.00 C ATOM 1161 O ARG A 75 18.224 -10.728 -6.490 1.00 0.00 O ATOM 1162 CB ARG A 75 19.279 -12.729 -3.815 1.00 0.00 C ATOM 1163 CG ARG A 75 18.748 -14.093 -3.404 1.00 0.00 C ATOM 1164 CD ARG A 75 19.820 -15.165 -3.519 1.00 0.00 C ATOM 1165 NE ARG A 75 19.427 -16.405 -2.854 1.00 0.00 N ATOM 1166 CZ ARG A 75 18.525 -17.247 -3.345 1.00 0.00 C ATOM 1167 NH1 ARG A 75 17.926 -16.985 -4.499 1.00 0.00 N ATOM 1168 NH2 ARG A 75 18.220 -18.356 -2.682 1.00 0.00 N ATOM 0 H ARG A 75 16.532 -13.044 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 75 18.417 -10.768 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.033 -12.861 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.777 -12.270 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.384 -14.049 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.898 -14.358 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.021 -15.366 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.749 -14.798 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 75 19.869 -16.637 -1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.158 -16.135 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.234 -17.634 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.679 -18.562 -1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.527 -19.002 -3.060 1.00 0.00 H new ATOM 1182 N VAL A 76 18.130 -12.976 -6.439 1.00 0.00 N ATOM 1183 CA VAL A 76 18.113 -13.117 -7.890 1.00 0.00 C ATOM 1184 C VAL A 76 17.275 -14.317 -8.315 1.00 0.00 C ATOM 1185 O VAL A 76 17.084 -15.260 -7.545 1.00 0.00 O ATOM 1186 CB VAL A 76 19.537 -13.272 -8.456 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.567 -12.913 -9.934 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.518 -12.416 -7.671 1.00 0.00 C ATOM 0 H VAL A 76 18.097 -13.859 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 76 17.668 -12.206 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 76 19.838 -14.315 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.581 -13.029 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.895 -13.573 -10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.246 -11.879 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.519 -12.538 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.222 -11.369 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.517 -12.727 -6.626 1.00 0.00 H new ATOM 1198 N LEU A 77 16.777 -14.278 -9.546 1.00 0.00 N ATOM 1199 CA LEU A 77 15.959 -15.363 -10.076 1.00 0.00 C ATOM 1200 C LEU A 77 16.740 -16.186 -11.095 1.00 0.00 C ATOM 1201 O LEU A 77 17.874 -15.854 -11.441 1.00 0.00 O ATOM 1202 CB LEU A 77 14.689 -14.804 -10.720 1.00 0.00 C ATOM 1203 CG LEU A 77 13.575 -14.388 -9.759 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.013 -13.029 -10.148 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.473 -15.436 -9.734 1.00 0.00 C ATOM 0 H LEU A 77 16.926 -13.506 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 77 15.682 -16.014 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.963 -13.938 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.291 -15.555 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 77 13.997 -14.310 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.221 -12.750 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.807 -12.283 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.607 -13.079 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.689 -15.123 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.054 -15.547 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.885 -16.390 -9.405 1.00 0.00 H new ATOM 1217 N THR A 78 16.124 -17.263 -11.575 1.00 0.00 N ATOM 1218 CA THR A 78 16.761 -18.133 -12.556 1.00 0.00 C ATOM 1219 C THR A 78 16.752 -17.499 -13.942 1.00 0.00 C ATOM 1220 O THR A 78 16.229 -16.401 -14.129 1.00 0.00 O ATOM 1221 CB THR A 78 16.062 -19.504 -12.627 1.00 0.00 C ATOM 1222 OG1 THR A 78 14.675 -19.332 -12.936 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.205 -20.253 -11.311 1.00 0.00 C ATOM 0 H THR A 78 15.185 -17.553 -11.300 1.00 0.00 H new ATOM 0 HA THR A 78 17.792 -18.274 -12.231 1.00 0.00 H new ATOM 0 HB THR A 78 16.538 -20.089 -13.413 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.173 -19.172 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 78 15.704 -21.218 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.262 -20.409 -11.094 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.752 -19.670 -10.509 1.00 0.00 H new ATOM 1231 N ALA A 79 17.335 -18.197 -14.911 1.00 0.00 N ATOM 1232 CA ALA A 79 17.392 -17.702 -16.281 1.00 0.00 C ATOM 1233 C ALA A 79 16.101 -18.013 -17.031 1.00 0.00 C ATOM 1234 O ALA A 79 15.927 -17.608 -18.180 1.00 0.00 O ATOM 1235 CB ALA A 79 18.586 -18.302 -17.009 1.00 0.00 C ATOM 0 H ALA A 79 17.775 -19.107 -14.773 1.00 0.00 H new ATOM 0 HA ALA A 79 17.509 -16.619 -16.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.617 -17.924 -18.031 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.504 -18.025 -16.492 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.493 -19.388 -17.027 1.00 0.00 H new ATOM 1241 N SER A 80 15.199 -18.735 -16.373 1.00 0.00 N ATOM 1242 CA SER A 80 13.926 -19.104 -16.980 1.00 0.00 C ATOM 1243 C SER A 80 12.794 -18.235 -16.439 1.00 0.00 C ATOM 1244 O SER A 80 12.036 -17.639 -17.203 1.00 0.00 O ATOM 1245 CB SER A 80 13.621 -20.580 -16.718 1.00 0.00 C ATOM 1246 OG SER A 80 14.175 -21.403 -17.729 1.00 0.00 O ATOM 0 H SER A 80 15.327 -19.076 -15.420 1.00 0.00 H new ATOM 0 HA SER A 80 14.003 -18.942 -18.055 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.023 -20.871 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.542 -20.729 -16.674 1.00 0.00 H new ATOM 0 HG SER A 80 14.255 -22.321 -17.396 1.00 0.00 H new ATOM 1252 N GLU A 81 12.688 -18.170 -15.115 1.00 0.00 N ATOM 1253 CA GLU A 81 11.649 -17.375 -14.472 1.00 0.00 C ATOM 1254 C GLU A 81 11.579 -15.976 -15.078 1.00 0.00 C ATOM 1255 O GLU A 81 10.499 -15.476 -15.393 1.00 0.00 O ATOM 1256 CB GLU A 81 11.908 -17.278 -12.967 1.00 0.00 C ATOM 1257 CG GLU A 81 11.769 -18.604 -12.238 1.00 0.00 C ATOM 1258 CD GLU A 81 12.194 -18.518 -10.785 1.00 0.00 C ATOM 1259 OE1 GLU A 81 11.353 -18.138 -9.943 1.00 0.00 O ATOM 1260 OE2 GLU A 81 13.366 -18.831 -10.490 1.00 0.00 O ATOM 0 H GLU A 81 13.308 -18.658 -14.468 1.00 0.00 H new ATOM 0 HA GLU A 81 10.693 -17.872 -14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.912 -16.887 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.212 -16.560 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.732 -18.936 -12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.371 -19.358 -12.745 1.00 0.00 H new ATOM 1267 N THR A 82 12.740 -15.349 -15.240 1.00 0.00 N ATOM 1268 CA THR A 82 12.813 -14.009 -15.807 1.00 0.00 C ATOM 1269 C THR A 82 12.453 -14.018 -17.288 1.00 0.00 C ATOM 1270 O THR A 82 11.662 -13.196 -17.751 1.00 0.00 O ATOM 1271 CB THR A 82 14.218 -13.401 -15.635 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.189 -14.217 -16.301 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.577 -13.277 -14.162 1.00 0.00 C ATOM 0 H THR A 82 13.643 -15.749 -14.986 1.00 0.00 H new ATOM 0 HA THR A 82 12.092 -13.397 -15.265 1.00 0.00 H new ATOM 0 HB THR A 82 14.216 -12.405 -16.077 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.543 -14.882 -15.674 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.573 -12.845 -14.065 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.853 -12.633 -13.664 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.563 -14.264 -13.700 1.00 0.00 H new ATOM 1281 N LYS A 83 13.038 -14.953 -18.029 1.00 0.00 N ATOM 1282 CA LYS A 83 12.778 -15.071 -19.458 1.00 0.00 C ATOM 1283 C LYS A 83 11.279 -15.081 -19.740 1.00 0.00 C ATOM 1284 O LYS A 83 10.806 -14.422 -20.667 1.00 0.00 O ATOM 1285 CB LYS A 83 13.419 -16.347 -20.010 1.00 0.00 C ATOM 1286 CG LYS A 83 13.043 -16.642 -21.452 1.00 0.00 C ATOM 1287 CD LYS A 83 13.516 -15.542 -22.388 1.00 0.00 C ATOM 1288 CE LYS A 83 15.032 -15.525 -22.507 1.00 0.00 C ATOM 1289 NZ LYS A 83 15.567 -16.837 -22.964 1.00 0.00 N ATOM 0 H LYS A 83 13.696 -15.641 -17.662 1.00 0.00 H new ATOM 0 HA LYS A 83 13.218 -14.206 -19.954 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.503 -16.260 -19.937 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.124 -17.191 -19.386 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.481 -17.593 -21.756 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.961 -16.749 -21.532 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.074 -15.687 -23.374 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.168 -14.576 -22.021 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.333 -14.746 -23.208 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.469 -15.271 -21.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.522 -16.706 -23.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.609 -17.494 -22.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.944 -17.229 -23.699 1.00 0.00 H new ATOM 1303 N THR A 84 10.535 -15.831 -18.933 1.00 0.00 N ATOM 1304 CA THR A 84 9.089 -15.925 -19.095 1.00 0.00 C ATOM 1305 C THR A 84 8.376 -14.825 -18.319 1.00 0.00 C ATOM 1306 O THR A 84 7.344 -15.063 -17.690 1.00 0.00 O ATOM 1307 CB THR A 84 8.560 -17.294 -18.627 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.156 -17.393 -18.891 1.00 0.00 O ATOM 1309 CG2 THR A 84 8.817 -17.495 -17.141 1.00 0.00 C ATOM 0 H THR A 84 10.910 -16.382 -18.161 1.00 0.00 H new ATOM 0 HA THR A 84 8.882 -15.807 -20.159 1.00 0.00 H new ATOM 0 HB THR A 84 9.089 -18.071 -19.179 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.692 -16.631 -18.486 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.435 -18.469 -16.834 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.889 -17.449 -16.948 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.312 -16.712 -16.575 1.00 0.00 H new ATOM 1317 N PHE A 85 8.931 -13.618 -18.367 1.00 0.00 N ATOM 1318 CA PHE A 85 8.347 -12.480 -17.667 1.00 0.00 C ATOM 1319 C PHE A 85 7.983 -11.367 -18.646 1.00 0.00 C ATOM 1320 O PHE A 85 6.868 -10.845 -18.625 1.00 0.00 O ATOM 1321 CB PHE A 85 9.319 -11.949 -16.612 1.00 0.00 C ATOM 1322 CG PHE A 85 8.694 -10.974 -15.657 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.407 -9.678 -16.056 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.393 -11.352 -14.358 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.830 -8.779 -15.180 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.817 -10.457 -13.477 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.536 -9.168 -13.888 1.00 0.00 C ATOM 0 H PHE A 85 9.784 -13.403 -18.883 1.00 0.00 H new ATOM 0 HA PHE A 85 7.436 -12.818 -17.174 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.724 -12.789 -16.048 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.158 -11.467 -17.113 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.637 -9.367 -17.064 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.611 -12.358 -14.031 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.609 -7.773 -15.505 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.587 -10.765 -12.468 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.087 -8.466 -13.200 1.00 0.00 H new ATOM 1337 N LEU A 86 8.932 -11.010 -19.504 1.00 0.00 N ATOM 1338 CA LEU A 86 8.714 -9.959 -20.492 1.00 0.00 C ATOM 1339 C LEU A 86 8.835 -10.510 -21.909 1.00 0.00 C ATOM 1340 O LEU A 86 8.298 -9.937 -22.857 1.00 0.00 O ATOM 1341 CB LEU A 86 9.718 -8.823 -20.288 1.00 0.00 C ATOM 1342 CG LEU A 86 11.194 -9.201 -20.413 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.577 -9.382 -21.873 1.00 0.00 C ATOM 1344 CD2 LEU A 86 12.072 -8.145 -19.756 1.00 0.00 C ATOM 0 H LEU A 86 9.860 -11.433 -19.536 1.00 0.00 H new ATOM 0 HA LEU A 86 7.704 -9.572 -20.357 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.502 -8.039 -21.014 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.556 -8.395 -19.299 1.00 0.00 H new ATOM 0 HG LEU A 86 11.352 -10.148 -19.898 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.631 -9.651 -21.942 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.971 -10.174 -22.313 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.404 -8.451 -22.413 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.119 -8.430 -19.854 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.910 -7.183 -20.243 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.816 -8.064 -18.700 1.00 0.00 H new ATOM 1356 N ALA A 87 9.541 -11.627 -22.046 1.00 0.00 N ATOM 1357 CA ALA A 87 9.729 -12.259 -23.346 1.00 0.00 C ATOM 1358 C ALA A 87 8.660 -13.316 -23.602 1.00 0.00 C ATOM 1359 O ALA A 87 8.747 -14.079 -24.564 1.00 0.00 O ATOM 1360 CB ALA A 87 11.117 -12.875 -23.439 1.00 0.00 C ATOM 0 H ALA A 87 9.993 -12.114 -21.272 1.00 0.00 H new ATOM 0 HA ALA A 87 9.634 -11.490 -24.113 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.243 -13.343 -24.415 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.870 -12.097 -23.310 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.235 -13.627 -22.658 1.00 0.00 H new ATOM 1366 N ALA A 88 7.653 -13.355 -22.736 1.00 0.00 N ATOM 1367 CA ALA A 88 6.567 -14.318 -22.869 1.00 0.00 C ATOM 1368 C ALA A 88 5.331 -13.669 -23.484 1.00 0.00 C ATOM 1369 O ALA A 88 4.627 -14.286 -24.283 1.00 0.00 O ATOM 1370 CB ALA A 88 6.230 -14.924 -21.515 1.00 0.00 C ATOM 0 H ALA A 88 7.567 -12.730 -21.934 1.00 0.00 H new ATOM 0 HA ALA A 88 6.898 -15.113 -23.537 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.417 -15.641 -21.630 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.108 -15.431 -21.115 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.923 -14.134 -20.829 1.00 0.00 H new ATOM 1376 N ALA A 89 5.073 -12.422 -23.104 1.00 0.00 N ATOM 1377 CA ALA A 89 3.922 -11.690 -23.619 1.00 0.00 C ATOM 1378 C ALA A 89 3.874 -11.743 -25.143 1.00 0.00 C ATOM 1379 O ALA A 89 3.021 -12.414 -25.723 1.00 0.00 O ATOM 1380 CB ALA A 89 3.958 -10.246 -23.141 1.00 0.00 C ATOM 0 H ALA A 89 5.645 -11.898 -22.442 1.00 0.00 H new ATOM 0 HA ALA A 89 3.019 -12.166 -23.236 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.093 -9.711 -23.533 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.936 -10.223 -22.051 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.871 -9.768 -23.496 1.00 0.00 H new ATOM 1386 N ASP A 90 4.795 -11.033 -25.784 1.00 0.00 N ATOM 1387 CA ASP A 90 4.858 -10.999 -27.240 1.00 0.00 C ATOM 1388 C ASP A 90 6.077 -10.214 -27.714 1.00 0.00 C ATOM 1389 O ASP A 90 6.850 -9.699 -26.905 1.00 0.00 O ATOM 1390 CB ASP A 90 3.583 -10.380 -27.813 1.00 0.00 C ATOM 1391 CG ASP A 90 3.223 -10.947 -29.173 1.00 0.00 C ATOM 1392 OD1 ASP A 90 3.163 -12.188 -29.300 1.00 0.00 O ATOM 1393 OD2 ASP A 90 3.003 -10.151 -30.109 1.00 0.00 O ATOM 0 H ASP A 90 5.509 -10.473 -25.318 1.00 0.00 H new ATOM 0 HA ASP A 90 4.947 -12.024 -27.598 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.758 -10.551 -27.122 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.712 -9.301 -27.895 1.00 0.00 H new ATOM 1398 N HIS A 91 6.244 -10.127 -29.030 1.00 0.00 N ATOM 1399 CA HIS A 91 7.370 -9.404 -29.611 1.00 0.00 C ATOM 1400 C HIS A 91 6.886 -8.358 -30.611 1.00 0.00 C ATOM 1401 O HIS A 91 7.470 -8.192 -31.682 1.00 0.00 O ATOM 1402 CB HIS A 91 8.328 -10.378 -30.298 1.00 0.00 C ATOM 1403 CG HIS A 91 9.762 -9.947 -30.242 1.00 0.00 C ATOM 1404 ND1 HIS A 91 10.636 -10.369 -29.263 1.00 0.00 N ATOM 1405 CD2 HIS A 91 10.473 -9.129 -31.053 1.00 0.00 C ATOM 1406 CE1 HIS A 91 11.823 -9.827 -29.473 1.00 0.00 C ATOM 1407 NE2 HIS A 91 11.750 -9.070 -30.553 1.00 0.00 N ATOM 0 H HIS A 91 5.615 -10.548 -29.714 1.00 0.00 H new ATOM 0 HA HIS A 91 7.898 -8.894 -28.805 1.00 0.00 H new ATOM 0 HB2 HIS A 91 8.233 -11.358 -29.831 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.032 -10.492 -31.341 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.403 -11.001 -28.497 1.00 0.00 H new ATOM 0 HD2 HIS A 91 10.104 -8.618 -31.930 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.703 -9.977 -28.865 1.00 0.00 H new ATOM 1415 N ASP A 92 5.816 -7.656 -30.253 1.00 0.00 N ATOM 1416 CA ASP A 92 5.254 -6.625 -31.118 1.00 0.00 C ATOM 1417 C ASP A 92 6.331 -5.638 -31.559 1.00 0.00 C ATOM 1418 O ASP A 92 6.259 -5.071 -32.648 1.00 0.00 O ATOM 1419 CB ASP A 92 4.128 -5.883 -30.397 1.00 0.00 C ATOM 1420 CG ASP A 92 3.781 -4.567 -31.066 1.00 0.00 C ATOM 1421 OD1 ASP A 92 4.493 -3.571 -30.823 1.00 0.00 O ATOM 1422 OD2 ASP A 92 2.797 -4.534 -31.834 1.00 0.00 O ATOM 0 H ASP A 92 5.321 -7.782 -29.370 1.00 0.00 H new ATOM 0 HA ASP A 92 4.848 -7.111 -32.005 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.241 -6.516 -30.365 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.423 -5.696 -29.364 1.00 0.00 H new ATOM 1427 N GLY A 93 7.328 -5.438 -30.703 1.00 0.00 N ATOM 1428 CA GLY A 93 8.405 -4.518 -31.021 1.00 0.00 C ATOM 1429 C GLY A 93 9.762 -5.194 -31.026 1.00 0.00 C ATOM 1430 O GLY A 93 10.267 -5.579 -32.081 1.00 0.00 O ATOM 0 H GLY A 93 7.409 -5.896 -29.795 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.221 -4.072 -31.998 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.410 -3.705 -30.295 1.00 0.00 H new ATOM 1434 N ASP A 94 10.355 -5.336 -29.846 1.00 0.00 N ATOM 1435 CA ASP A 94 11.662 -5.969 -29.719 1.00 0.00 C ATOM 1436 C ASP A 94 11.711 -6.873 -28.491 1.00 0.00 C ATOM 1437 O ASP A 94 12.787 -7.244 -28.023 1.00 0.00 O ATOM 1438 CB ASP A 94 12.760 -4.908 -29.631 1.00 0.00 C ATOM 1439 CG ASP A 94 14.129 -5.462 -29.973 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.252 -6.138 -31.016 1.00 0.00 O ATOM 1441 OD2 ASP A 94 15.078 -5.218 -29.199 1.00 0.00 O ATOM 0 H ASP A 94 9.951 -5.021 -28.964 1.00 0.00 H new ATOM 0 HA ASP A 94 11.830 -6.581 -30.605 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.524 -4.088 -30.309 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.780 -4.493 -28.623 1.00 0.00 H new ATOM 1446 N GLY A 95 10.538 -7.222 -27.972 1.00 0.00 N ATOM 1447 CA GLY A 95 10.469 -8.078 -26.802 1.00 0.00 C ATOM 1448 C GLY A 95 10.453 -7.290 -25.507 1.00 0.00 C ATOM 1449 O GLY A 95 10.751 -7.828 -24.440 1.00 0.00 O ATOM 0 H GLY A 95 9.634 -6.927 -28.341 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.572 -8.695 -26.859 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.323 -8.756 -26.801 1.00 0.00 H new ATOM 1453 N LYS A 96 10.104 -6.011 -25.599 1.00 0.00 N ATOM 1454 CA LYS A 96 10.050 -5.147 -24.427 1.00 0.00 C ATOM 1455 C LYS A 96 8.606 -4.873 -24.019 1.00 0.00 C ATOM 1456 O LYS A 96 7.824 -4.325 -24.797 1.00 0.00 O ATOM 1457 CB LYS A 96 10.770 -3.826 -24.708 1.00 0.00 C ATOM 1458 CG LYS A 96 10.211 -3.070 -25.901 1.00 0.00 C ATOM 1459 CD LYS A 96 11.080 -1.878 -26.263 1.00 0.00 C ATOM 1460 CE LYS A 96 10.955 -1.524 -27.737 1.00 0.00 C ATOM 1461 NZ LYS A 96 11.927 -0.470 -28.139 1.00 0.00 N ATOM 0 H LYS A 96 9.854 -5.550 -26.474 1.00 0.00 H new ATOM 0 HA LYS A 96 10.551 -5.660 -23.606 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.706 -3.192 -23.824 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.827 -4.028 -24.879 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.138 -3.741 -26.757 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.200 -2.730 -25.676 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.793 -1.019 -25.656 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.121 -2.101 -26.028 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.118 -2.417 -28.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.941 -1.181 -27.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.810 -0.257 -29.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.755 0.391 -27.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.896 -0.807 -27.966 1.00 0.00 H new ATOM 1475 N ILE A 97 8.259 -5.257 -22.795 1.00 0.00 N ATOM 1476 CA ILE A 97 6.910 -5.050 -22.284 1.00 0.00 C ATOM 1477 C ILE A 97 6.769 -3.673 -21.644 1.00 0.00 C ATOM 1478 O ILE A 97 7.719 -3.143 -21.071 1.00 0.00 O ATOM 1479 CB ILE A 97 6.529 -6.126 -21.249 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.749 -7.524 -21.830 1.00 0.00 C ATOM 1481 CG2 ILE A 97 5.082 -5.950 -20.811 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.997 -7.768 -23.120 1.00 0.00 C ATOM 0 H ILE A 97 8.893 -5.713 -22.139 1.00 0.00 H new ATOM 0 HA ILE A 97 6.235 -5.122 -23.137 1.00 0.00 H new ATOM 0 HB ILE A 97 7.170 -6.012 -20.375 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.814 -7.672 -22.007 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.442 -8.267 -21.094 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.827 -6.717 -20.080 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.955 -4.965 -20.362 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.426 -6.042 -21.677 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.200 -8.779 -23.474 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.927 -7.653 -22.945 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.321 -7.048 -23.872 1.00 0.00 H new ATOM 1494 N GLY A 98 5.574 -3.099 -21.746 1.00 0.00 N ATOM 1495 CA GLY A 98 5.329 -1.789 -21.171 1.00 0.00 C ATOM 1496 C GLY A 98 4.177 -1.794 -20.186 1.00 0.00 C ATOM 1497 O GLY A 98 4.366 -2.065 -19.000 1.00 0.00 O ATOM 0 H GLY A 98 4.772 -3.518 -22.216 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.232 -1.442 -20.668 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.116 -1.079 -21.970 1.00 0.00 H new ATOM 1501 N ALA A 99 2.980 -1.492 -20.677 1.00 0.00 N ATOM 1502 CA ALA A 99 1.793 -1.463 -19.831 1.00 0.00 C ATOM 1503 C ALA A 99 0.533 -1.747 -20.643 1.00 0.00 C ATOM 1504 O ALA A 99 -0.572 -1.390 -20.235 1.00 0.00 O ATOM 1505 CB ALA A 99 1.678 -0.118 -19.128 1.00 0.00 C ATOM 0 H ALA A 99 2.806 -1.264 -21.656 1.00 0.00 H new ATOM 0 HA ALA A 99 1.894 -2.246 -19.079 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.787 -0.111 -18.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.560 0.045 -18.509 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.604 0.676 -19.871 1.00 0.00 H new ATOM 1511 N GLU A 100 0.709 -2.390 -21.793 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.415 -2.720 -22.662 1.00 0.00 C ATOM 1513 C GLU A 100 -0.499 -4.226 -22.894 1.00 0.00 C ATOM 1514 O GLU A 100 -1.581 -4.770 -23.111 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.283 -1.992 -24.001 1.00 0.00 C ATOM 1516 CG GLU A 100 1.105 -2.087 -24.611 1.00 0.00 C ATOM 1517 CD GLU A 100 1.090 -1.949 -26.121 1.00 0.00 C ATOM 1518 OE1 GLU A 100 0.636 -0.896 -26.616 1.00 0.00 O ATOM 1519 OE2 GLU A 100 1.533 -2.893 -26.808 1.00 0.00 O ATOM 0 H GLU A 100 1.618 -2.692 -22.144 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.331 -2.395 -22.169 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.008 -2.405 -24.702 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.538 -0.942 -23.861 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.739 -1.309 -24.185 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.551 -3.044 -24.342 1.00 0.00 H new ATOM 1526 N GLU A 101 0.651 -4.891 -22.848 1.00 0.00 N ATOM 1527 CA GLU A 101 0.707 -6.333 -23.055 1.00 0.00 C ATOM 1528 C GLU A 101 0.650 -7.077 -21.723 1.00 0.00 C ATOM 1529 O GLU A 101 -0.088 -8.051 -21.574 1.00 0.00 O ATOM 1530 CB GLU A 101 1.983 -6.713 -23.809 1.00 0.00 C ATOM 1531 CG GLU A 101 2.122 -6.023 -25.156 1.00 0.00 C ATOM 1532 CD GLU A 101 1.252 -6.654 -26.226 1.00 0.00 C ATOM 1533 OE1 GLU A 101 0.770 -7.785 -26.008 1.00 0.00 O ATOM 1534 OE2 GLU A 101 1.054 -6.016 -27.282 1.00 0.00 O ATOM 0 H GLU A 101 1.555 -4.455 -22.669 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.159 -6.622 -23.651 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.847 -6.465 -23.192 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.998 -7.792 -23.960 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.857 -4.971 -25.051 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.164 -6.059 -25.473 1.00 0.00 H new ATOM 1541 N PHE A 102 1.435 -6.610 -20.758 1.00 0.00 N ATOM 1542 CA PHE A 102 1.476 -7.231 -19.439 1.00 0.00 C ATOM 1543 C PHE A 102 0.068 -7.419 -18.883 1.00 0.00 C ATOM 1544 O PHE A 102 -0.281 -8.497 -18.402 1.00 0.00 O ATOM 1545 CB PHE A 102 2.307 -6.379 -18.477 1.00 0.00 C ATOM 1546 CG PHE A 102 2.650 -7.084 -17.196 1.00 0.00 C ATOM 1547 CD1 PHE A 102 1.672 -7.345 -16.250 1.00 0.00 C ATOM 1548 CD2 PHE A 102 3.950 -7.487 -16.937 1.00 0.00 C ATOM 1549 CE1 PHE A 102 1.985 -7.993 -15.070 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.269 -8.136 -15.759 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.285 -8.390 -14.825 1.00 0.00 C ATOM 0 H PHE A 102 2.051 -5.804 -20.864 1.00 0.00 H new ATOM 0 HA PHE A 102 1.942 -8.211 -19.540 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.229 -6.078 -18.975 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.757 -5.467 -18.245 1.00 0.00 H new ATOM 0 HD1 PHE A 102 0.653 -7.039 -16.437 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.724 -7.292 -17.665 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.214 -8.189 -14.340 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.287 -8.444 -15.570 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.531 -8.898 -13.904 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.735 -6.363 -18.951 1.00 0.00 N ATOM 1562 CA GLN A 103 -2.105 -6.411 -18.453 1.00 0.00 C ATOM 1563 C GLN A 103 -2.836 -7.637 -18.990 1.00 0.00 C ATOM 1564 O GLN A 103 -3.383 -8.429 -18.224 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.859 -5.140 -18.848 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.606 -3.968 -17.914 1.00 0.00 C ATOM 1567 CD GLN A 103 -1.147 -3.838 -17.522 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.793 -3.969 -16.350 1.00 0.00 O ATOM 1569 NE2 GLN A 103 -0.291 -3.579 -18.504 1.00 0.00 N ATOM 0 H GLN A 103 -0.461 -5.463 -19.346 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.067 -6.479 -17.366 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.571 -4.856 -19.860 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.928 -5.353 -18.869 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.932 -3.047 -18.397 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.210 -4.088 -17.015 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.628 -3.478 -19.461 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.704 -3.481 -18.301 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.841 -7.787 -20.311 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.506 -8.916 -20.949 1.00 0.00 C ATOM 1580 C GLU A 104 -2.998 -10.239 -20.382 1.00 0.00 C ATOM 1581 O GLU A 104 -3.783 -11.117 -20.027 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.284 -8.879 -22.463 1.00 0.00 C ATOM 1583 CG GLU A 104 -4.197 -7.905 -23.188 1.00 0.00 C ATOM 1584 CD GLU A 104 -4.405 -8.274 -24.644 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -5.347 -9.041 -24.934 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -3.625 -7.795 -25.494 1.00 0.00 O ATOM 0 H GLU A 104 -2.392 -7.141 -20.960 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.574 -8.838 -20.743 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.247 -8.610 -22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.438 -9.879 -22.869 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.163 -7.874 -22.683 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.773 -6.902 -23.128 1.00 0.00 H new ATOM 1593 N MET A 105 -1.678 -10.372 -20.301 1.00 0.00 N ATOM 1594 CA MET A 105 -1.064 -11.587 -19.776 1.00 0.00 C ATOM 1595 C MET A 105 -1.686 -11.977 -18.439 1.00 0.00 C ATOM 1596 O MET A 105 -1.714 -13.153 -18.076 1.00 0.00 O ATOM 1597 CB MET A 105 0.445 -11.391 -19.612 1.00 0.00 C ATOM 1598 CG MET A 105 1.096 -12.422 -18.704 1.00 0.00 C ATOM 1599 SD MET A 105 2.759 -12.867 -19.239 1.00 0.00 S ATOM 1600 CE MET A 105 3.586 -11.283 -19.127 1.00 0.00 C ATOM 0 H MET A 105 -1.014 -9.655 -20.592 1.00 0.00 H new ATOM 0 HA MET A 105 -1.244 -12.392 -20.488 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.917 -11.433 -20.593 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.632 -10.395 -19.210 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.138 -12.030 -17.688 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.476 -13.318 -18.675 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.596 -11.371 -19.527 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.031 -10.541 -19.702 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.635 -10.971 -18.084 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.184 -10.983 -17.711 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.806 -11.222 -16.414 1.00 0.00 C ATOM 1612 C VAL A 106 -4.278 -11.587 -16.571 1.00 0.00 C ATOM 1613 O VAL A 106 -4.746 -12.573 -16.002 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.689 -9.989 -15.499 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.212 -10.306 -14.106 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.248 -9.505 -15.439 1.00 0.00 C ATOM 0 H VAL A 106 -2.169 -10.004 -17.997 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.274 -12.056 -15.956 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.300 -9.189 -15.917 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.121 -9.423 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.259 -10.601 -14.169 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.631 -11.122 -13.676 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.184 -8.633 -14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.614 -10.299 -15.045 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.913 -9.235 -16.441 1.00 0.00 H new ATOM 1626 N GLN A 107 -5.002 -10.786 -17.346 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.422 -11.026 -17.577 1.00 0.00 C ATOM 1628 C GLN A 107 -6.667 -12.467 -18.013 1.00 0.00 C ATOM 1629 O GLN A 107 -7.657 -13.085 -17.620 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.958 -10.062 -18.636 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.791 -8.597 -18.266 1.00 0.00 C ATOM 1632 CD GLN A 107 -7.496 -8.238 -16.972 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -8.715 -8.373 -16.858 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -6.731 -7.779 -15.989 1.00 0.00 N ATOM 0 H GLN A 107 -4.629 -9.966 -17.824 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.951 -10.855 -16.639 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.446 -10.250 -19.579 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.016 -10.268 -18.801 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.729 -8.369 -18.172 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.181 -7.976 -19.072 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.725 -7.683 -16.128 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.149 -7.522 -15.095 1.00 0.00 H new ATOM 1643 N SER A 108 -5.759 -12.996 -18.827 1.00 0.00 N ATOM 1644 CA SER A 108 -5.879 -14.363 -19.320 1.00 0.00 C ATOM 1645 C SER A 108 -5.557 -15.368 -18.218 1.00 0.00 C ATOM 1646 O SER A 108 -5.758 -16.570 -18.383 1.00 0.00 O ATOM 1647 CB SER A 108 -4.947 -14.581 -20.513 1.00 0.00 C ATOM 1648 OG SER A 108 -3.691 -13.960 -20.300 1.00 0.00 O ATOM 0 H SER A 108 -4.933 -12.499 -19.159 1.00 0.00 H new ATOM 0 HA SER A 108 -6.909 -14.519 -19.640 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.805 -15.649 -20.677 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.407 -14.179 -21.416 1.00 0.00 H new ATOM 0 HG SER A 108 -3.471 -13.987 -19.345 1.00 0.00 H new TER 1654 SER A 108