USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 632 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 NoAdj : A 21 ASNHD21 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD NoAdj : A 21 ASNHD22 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ -168:sc= -0.017 (180deg=-0.21) USER MOD Single : A 4 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-5.3!) USER MOD Single : A 6 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.176 (180deg=-0.249!) USER MOD Single : A 27 SER OG : rot 180:sc=7.41e-05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -1.61 USER MOD Single : A 40 SER OG : rot 40:sc= 0.132 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0713 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.42) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 168:sc= -9.18! (180deg=-9.94!) USER MOD Single : A 55 THR OG1 : rot -27:sc= -2.42! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 64 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.35) USER MOD Single : A 67 THR OG1 : rot 60:sc= 1.2 USER MOD Single : A 73 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.701 -18.894 -0.298 1.00 0.00 N ATOM 2 CA ALA A 1 7.362 -18.439 -0.769 1.00 0.00 C ATOM 3 C ALA A 1 7.359 -16.915 -0.901 1.00 0.00 C ATOM 4 O ALA A 1 6.617 -16.352 -1.681 1.00 0.00 O ATOM 5 CB ALA A 1 6.294 -18.866 0.240 1.00 0.00 C ATOM 0 H1 ALA A 1 8.773 -19.926 -0.401 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.443 -18.437 -0.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.823 -18.637 0.702 1.00 0.00 H new ATOM 0 HA ALA A 1 7.146 -18.888 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.315 -18.533 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.296 -19.952 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.509 -18.417 1.210 1.00 0.00 H new ATOM 13 N ASP A 2 8.182 -16.242 -0.146 1.00 0.00 N ATOM 14 CA ASP A 2 8.223 -14.755 -0.230 1.00 0.00 C ATOM 15 C ASP A 2 6.795 -14.206 -0.237 1.00 0.00 C ATOM 16 O ASP A 2 6.481 -13.273 -0.949 1.00 0.00 O ATOM 17 CB ASP A 2 8.939 -14.337 -1.516 1.00 0.00 C ATOM 18 CG ASP A 2 10.423 -14.689 -1.412 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.838 -15.114 -0.345 1.00 0.00 O ATOM 20 OD2 ASP A 2 11.122 -14.528 -2.399 1.00 0.00 O ATOM 0 H ASP A 2 8.828 -16.657 0.525 1.00 0.00 H new ATOM 0 HA ASP A 2 8.761 -14.356 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.494 -14.842 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.819 -13.266 -1.680 1.00 0.00 H new ATOM 25 N ASP A 3 5.927 -14.781 0.551 1.00 25.00 N ATOM 26 CA ASP A 3 4.518 -14.295 0.589 1.00 25.00 C ATOM 27 C ASP A 3 4.490 -12.849 1.086 1.00 25.00 C ATOM 28 O ASP A 3 5.272 -12.455 1.928 1.00 25.00 O ATOM 29 CB ASP A 3 3.702 -15.175 1.537 1.00 25.00 C ATOM 30 CG ASP A 3 3.456 -16.537 0.885 1.00 25.00 C ATOM 31 OD1 ASP A 3 3.604 -16.629 -0.322 1.00 25.00 O ATOM 32 OD2 ASP A 3 3.122 -17.464 1.604 1.00 25.00 O ATOM 0 H ASP A 3 6.133 -15.566 1.170 1.00 25.00 H new ATOM 0 HA ASP A 3 4.090 -14.343 -0.412 1.00 25.00 H new ATOM 0 HB2 ASP A 3 4.234 -15.302 2.480 1.00 25.00 H new ATOM 0 HB3 ASP A 3 2.752 -14.694 1.769 1.00 25.00 H new ATOM 37 N HIS A 4 3.592 -12.053 0.572 1.00 25.00 N ATOM 38 CA HIS A 4 3.512 -10.633 1.016 1.00 25.00 C ATOM 39 C HIS A 4 2.206 -10.414 1.779 1.00 25.00 C ATOM 40 O HIS A 4 1.333 -11.259 1.788 1.00 25.00 O ATOM 41 CB HIS A 4 3.545 -9.699 -0.202 1.00 50.00 C ATOM 42 CG HIS A 4 3.134 -10.444 -1.445 1.00 50.00 C ATOM 43 ND1 HIS A 4 1.913 -11.092 -1.548 1.00 50.00 N ATOM 44 CD2 HIS A 4 3.771 -10.652 -2.643 1.00 50.00 C ATOM 45 CE1 HIS A 4 1.854 -11.653 -2.770 1.00 50.00 C ATOM 46 NE2 HIS A 4 2.962 -11.416 -3.478 1.00 50.00 N ATOM 0 H HIS A 4 2.910 -12.325 -0.136 1.00 25.00 H new ATOM 0 HA HIS A 4 4.362 -10.413 1.662 1.00 25.00 H new ATOM 0 HB2 HIS A 4 2.876 -8.854 -0.039 1.00 50.00 H new ATOM 0 HB3 HIS A 4 4.548 -9.292 -0.329 1.00 50.00 H new ATOM 0 HD2 HIS A 4 4.752 -10.279 -2.899 1.00 50.00 H new ATOM 0 HE1 HIS A 4 1.013 -12.225 -3.134 1.00 50.00 H new ATOM 0 HE2 HIS A 4 3.170 -11.728 -4.427 1.00 50.00 H new ATOM 54 N PRO A 5 2.070 -9.247 2.426 1.00 25.00 N ATOM 55 CA PRO A 5 0.865 -8.903 3.188 1.00 25.00 C ATOM 56 C PRO A 5 -0.336 -8.706 2.262 1.00 25.00 C ATOM 57 O PRO A 5 -1.475 -8.811 2.669 1.00 25.00 O ATOM 58 CB PRO A 5 1.235 -7.580 3.861 1.00 50.00 C ATOM 59 CG PRO A 5 2.297 -7.003 2.989 1.00 50.00 C ATOM 60 CD PRO A 5 3.077 -8.173 2.461 1.00 50.00 C ATOM 0 HA PRO A 5 0.579 -9.684 3.893 1.00 25.00 H new ATOM 0 HB2 PRO A 5 0.374 -6.915 3.931 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.598 -7.739 4.876 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.862 -6.424 2.174 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.940 -6.327 3.552 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.488 -7.972 1.472 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.916 -8.426 3.110 1.00 50.00 H new ATOM 68 N GLN A 6 -0.082 -8.427 1.014 1.00 25.00 N ATOM 69 CA GLN A 6 -1.192 -8.228 0.047 1.00 25.00 C ATOM 70 C GLN A 6 -1.970 -9.534 -0.106 1.00 25.00 C ATOM 71 O GLN A 6 -3.175 -9.539 -0.262 1.00 25.00 O ATOM 72 CB GLN A 6 -0.611 -7.820 -1.307 1.00 25.00 C ATOM 73 CG GLN A 6 -0.428 -6.302 -1.349 1.00 25.00 C ATOM 74 CD GLN A 6 0.405 -5.921 -2.575 1.00 25.00 C ATOM 75 OE1 GLN A 6 -0.079 -5.261 -3.472 1.00 25.00 O ATOM 76 NE2 GLN A 6 1.647 -6.315 -2.652 1.00 25.00 N ATOM 0 H GLN A 6 0.854 -8.328 0.622 1.00 25.00 H new ATOM 0 HA GLN A 6 -1.861 -7.447 0.409 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.346 -8.317 -1.468 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.275 -8.139 -2.110 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -1.399 -5.809 -1.389 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.066 -5.959 -0.440 1.00 25.00 H new ATOM 0 HE21 GLN A 6 2.054 -6.869 -1.899 1.00 25.00 H new ATOM 0 HE22 GLN A 6 2.211 -6.068 -3.466 1.00 25.00 H new ATOM 85 N ASP A 7 -1.288 -10.644 -0.064 1.00 16.66 N ATOM 86 CA ASP A 7 -1.987 -11.953 -0.208 1.00 16.66 C ATOM 87 C ASP A 7 -2.978 -12.127 0.942 1.00 16.66 C ATOM 88 O ASP A 7 -4.112 -12.515 0.745 1.00 16.66 O ATOM 89 CB ASP A 7 -0.963 -13.087 -0.174 1.00 16.66 C ATOM 90 CG ASP A 7 -0.376 -13.286 -1.573 1.00 16.66 C ATOM 91 OD1 ASP A 7 -1.076 -13.014 -2.533 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.767 -13.707 -1.660 1.00 50.00 O ATOM 0 H ASP A 7 -0.278 -10.702 0.064 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.521 -11.977 -1.158 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.169 -12.853 0.535 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.435 -14.008 0.168 1.00 16.66 H new ATOM 97 N LYS A 8 -2.557 -11.844 2.141 1.00 16.66 N ATOM 98 CA LYS A 8 -3.469 -11.991 3.309 1.00 16.66 C ATOM 99 C LYS A 8 -4.797 -11.301 3.009 1.00 16.66 C ATOM 100 O LYS A 8 -5.851 -11.763 3.400 1.00 16.66 O ATOM 101 CB LYS A 8 -2.827 -11.350 4.538 1.00 16.66 C ATOM 102 CG LYS A 8 -1.949 -12.382 5.245 1.00 16.66 C ATOM 103 CD LYS A 8 -1.793 -11.997 6.716 1.00 16.66 C ATOM 104 CE LYS A 8 -0.645 -12.799 7.333 1.00 50.00 C ATOM 105 NZ LYS A 8 0.277 -11.874 8.051 1.00 50.00 N ATOM 0 H LYS A 8 -1.617 -11.516 2.364 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.646 -13.049 3.501 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.229 -10.488 4.242 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.598 -10.985 5.217 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.396 -13.373 5.163 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.971 -12.433 4.766 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.594 -10.929 6.805 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.720 -12.194 7.255 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.038 -13.546 8.023 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.104 -13.338 6.555 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.058 -12.418 8.471 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.661 -11.178 7.381 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.244 -11.379 8.803 1.00 50.00 H new ATOM 119 N ALA A 9 -4.758 -10.201 2.316 1.00 16.66 N ATOM 120 CA ALA A 9 -6.021 -9.486 1.989 1.00 16.66 C ATOM 121 C ALA A 9 -6.924 -10.424 1.196 1.00 16.66 C ATOM 122 O ALA A 9 -8.099 -10.558 1.475 1.00 16.66 O ATOM 123 CB ALA A 9 -5.709 -8.243 1.153 1.00 16.66 C ATOM 0 H ALA A 9 -3.907 -9.765 1.961 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.521 -9.178 2.908 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.637 -7.722 0.915 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.054 -7.579 1.718 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.213 -8.541 0.229 1.00 16.66 H new ATOM 129 N GLU A 10 -6.379 -11.080 0.215 1.00 16.66 N ATOM 130 CA GLU A 10 -7.200 -12.022 -0.595 1.00 16.66 C ATOM 131 C GLU A 10 -7.607 -13.204 0.286 1.00 16.66 C ATOM 132 O GLU A 10 -8.720 -13.685 0.228 1.00 16.66 O ATOM 133 CB GLU A 10 -6.379 -12.528 -1.784 1.00 16.66 C ATOM 134 CG GLU A 10 -5.767 -11.339 -2.528 1.00 16.66 C ATOM 135 CD GLU A 10 -6.871 -10.568 -3.255 1.00 16.66 C ATOM 136 OE1 GLU A 10 -7.945 -11.123 -3.417 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.622 -9.437 -3.638 1.00 16.66 O ATOM 0 H GLU A 10 -5.400 -11.006 -0.063 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.089 -11.512 -0.967 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.592 -13.197 -1.437 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.013 -13.104 -2.458 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.253 -10.683 -1.826 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.022 -11.688 -3.243 1.00 16.66 H new ATOM 144 N ARG A 11 -6.705 -13.669 1.103 1.00 16.66 N ATOM 145 CA ARG A 11 -7.019 -14.816 1.999 1.00 16.66 C ATOM 146 C ARG A 11 -8.082 -14.399 3.014 1.00 16.66 C ATOM 147 O ARG A 11 -8.987 -15.146 3.329 1.00 16.66 O ATOM 148 CB ARG A 11 -5.751 -15.229 2.744 1.00 16.66 C ATOM 149 CG ARG A 11 -4.737 -15.793 1.749 1.00 16.66 C ATOM 150 CD ARG A 11 -3.787 -16.748 2.468 1.00 50.00 C ATOM 151 NE ARG A 11 -2.521 -16.849 1.693 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.359 -17.814 0.830 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.527 -18.786 1.085 1.00 50.00 N ATOM 154 NH2 ARG A 11 -3.031 -17.804 -0.288 1.00 50.00 N ATOM 0 H ARG A 11 -5.757 -13.301 1.189 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.392 -15.650 1.405 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.327 -14.371 3.265 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.988 -15.976 3.501 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.254 -16.316 0.945 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.173 -14.981 1.290 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.583 -16.388 3.476 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.246 -17.731 2.568 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.779 -16.164 1.836 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.002 -18.792 1.960 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.401 -19.540 0.410 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.681 -17.043 -0.486 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.906 -18.557 -0.965 1.00 50.00 H new ATOM 168 N GLU A 12 -7.974 -13.209 3.526 1.00 16.66 N ATOM 169 CA GLU A 12 -8.968 -12.727 4.523 1.00 16.66 C ATOM 170 C GLU A 12 -10.342 -12.612 3.862 1.00 16.66 C ATOM 171 O GLU A 12 -11.354 -12.941 4.448 1.00 16.66 O ATOM 172 CB GLU A 12 -8.536 -11.358 5.047 1.00 16.66 C ATOM 173 CG GLU A 12 -7.565 -11.541 6.214 1.00 16.66 C ATOM 174 CD GLU A 12 -7.442 -10.226 6.987 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.133 -9.286 6.631 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.659 -10.181 7.921 1.00 50.00 O ATOM 0 H GLU A 12 -7.236 -12.544 3.296 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.025 -13.433 5.351 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.060 -10.786 4.251 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.408 -10.789 5.371 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.919 -12.332 6.875 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.588 -11.850 5.843 1.00 16.66 H new ATOM 183 N ARG A 13 -10.387 -12.149 2.645 1.00 16.66 N ATOM 184 CA ARG A 13 -11.697 -12.017 1.948 1.00 16.66 C ATOM 185 C ARG A 13 -12.247 -13.408 1.645 1.00 16.66 C ATOM 186 O ARG A 13 -13.430 -13.662 1.765 1.00 16.66 O ATOM 187 CB ARG A 13 -11.507 -11.246 0.640 1.00 16.66 C ATOM 188 CG ARG A 13 -10.924 -9.866 0.943 1.00 16.66 C ATOM 189 CD ARG A 13 -10.410 -9.234 -0.353 1.00 16.66 C ATOM 190 NE ARG A 13 -11.560 -8.709 -1.141 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.523 -8.731 -2.445 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.603 -7.617 -3.120 1.00 50.00 N ATOM 193 NH2 ARG A 13 -11.405 -9.869 -3.075 1.00 50.00 N ATOM 0 H ARG A 13 -9.574 -11.856 2.102 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.397 -11.477 2.585 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.841 -11.796 -0.025 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.461 -11.144 0.123 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.685 -9.229 1.394 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.112 -9.953 1.665 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.713 -8.427 -0.125 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.862 -9.973 -0.938 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.377 -8.332 -0.661 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -11.695 -6.728 -2.628 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.574 -7.635 -4.139 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -11.342 -10.740 -2.548 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.376 -9.887 -4.094 1.00 50.00 H new ATOM 207 N ILE A 14 -11.395 -14.316 1.262 1.00 16.66 N ATOM 208 CA ILE A 14 -11.864 -15.694 0.962 1.00 16.66 C ATOM 209 C ILE A 14 -12.239 -16.386 2.270 1.00 16.66 C ATOM 210 O ILE A 14 -13.273 -17.020 2.377 1.00 16.66 O ATOM 211 CB ILE A 14 -10.745 -16.474 0.270 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.275 -15.702 -0.964 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.268 -17.847 -0.156 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.847 -16.120 -1.316 1.00 50.00 C ATOM 0 H ILE A 14 -10.394 -14.162 1.144 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.733 -15.655 0.305 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.910 -16.602 0.959 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.940 -15.900 -1.804 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.314 -14.630 -0.772 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.471 -18.403 -0.649 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.604 -18.397 0.723 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.102 -17.721 -0.846 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.513 -15.569 -2.195 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.186 -15.900 -0.477 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.822 -17.189 -1.526 1.00 50.00 H new ATOM 226 N PHE A 15 -11.414 -16.265 3.276 1.00 16.66 N ATOM 227 CA PHE A 15 -11.740 -16.910 4.575 1.00 16.66 C ATOM 228 C PHE A 15 -13.001 -16.263 5.145 1.00 16.66 C ATOM 229 O PHE A 15 -13.833 -16.917 5.742 1.00 16.66 O ATOM 230 CB PHE A 15 -10.579 -16.731 5.555 1.00 16.66 C ATOM 231 CG PHE A 15 -10.940 -17.393 6.864 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.690 -18.758 7.047 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.535 -16.647 7.889 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.035 -19.379 8.254 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.878 -17.268 9.098 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.628 -18.634 9.280 1.00 16.66 C ATOM 0 H PHE A 15 -10.534 -15.750 3.252 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.907 -17.976 4.422 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.670 -17.172 5.147 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.377 -15.671 5.711 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.231 -19.333 6.257 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.729 -15.594 7.748 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.843 -20.433 8.393 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.335 -16.693 9.890 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.893 -19.112 10.211 1.00 16.66 H new ATOM 246 N LYS A 16 -13.153 -14.982 4.954 1.00 16.66 N ATOM 247 CA LYS A 16 -14.366 -14.294 5.473 1.00 16.66 C ATOM 248 C LYS A 16 -15.590 -14.817 4.723 1.00 16.66 C ATOM 249 O LYS A 16 -16.687 -14.849 5.246 1.00 16.66 O ATOM 250 CB LYS A 16 -14.236 -12.786 5.249 1.00 50.00 C ATOM 251 CG LYS A 16 -13.395 -12.173 6.371 1.00 50.00 C ATOM 252 CD LYS A 16 -13.438 -10.648 6.263 1.00 50.00 C ATOM 253 CE LYS A 16 -12.278 -10.047 7.061 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.706 -8.755 7.666 1.00 50.00 N ATOM 0 H LYS A 16 -12.490 -14.383 4.462 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.473 -14.490 6.540 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.771 -12.590 4.283 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.223 -12.325 5.227 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.776 -12.491 7.341 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.366 -12.525 6.302 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.370 -10.345 5.218 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.388 -10.272 6.643 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.963 -10.739 7.842 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.419 -9.888 6.410 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.917 -8.347 8.208 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.986 -8.095 6.913 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.514 -8.919 8.300 1.00 50.00 H new ATOM 268 N ARG A 17 -15.408 -15.236 3.500 1.00 16.66 N ATOM 269 CA ARG A 17 -16.556 -15.767 2.715 1.00 16.66 C ATOM 270 C ARG A 17 -17.001 -17.098 3.319 1.00 16.66 C ATOM 271 O ARG A 17 -18.176 -17.391 3.407 1.00 16.66 O ATOM 272 CB ARG A 17 -16.126 -15.984 1.262 1.00 16.66 C ATOM 273 CG ARG A 17 -16.129 -14.644 0.525 1.00 16.66 C ATOM 274 CD ARG A 17 -16.285 -14.890 -0.977 1.00 50.00 C ATOM 275 NE ARG A 17 -15.949 -13.644 -1.720 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.857 -13.584 -2.433 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.816 -14.294 -2.092 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.806 -12.814 -3.485 1.00 50.00 N ATOM 0 H ARG A 17 -14.513 -15.233 3.011 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.381 -15.055 2.744 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.131 -16.428 1.228 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.803 -16.683 0.771 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.944 -14.018 0.889 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.202 -14.106 0.722 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.631 -15.703 -1.293 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.306 -15.197 -1.202 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.572 -12.838 -1.672 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.856 -14.895 -1.269 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.963 -14.248 -2.649 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.619 -12.259 -3.751 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.953 -12.767 -4.042 1.00 50.00 H new ATOM 292 N PHE A 18 -16.065 -17.904 3.739 1.00 16.66 N ATOM 293 CA PHE A 18 -16.428 -19.216 4.342 1.00 16.66 C ATOM 294 C PHE A 18 -17.115 -18.983 5.687 1.00 16.66 C ATOM 295 O PHE A 18 -18.187 -19.494 5.945 1.00 16.66 O ATOM 296 CB PHE A 18 -15.165 -20.053 4.550 1.00 16.66 C ATOM 297 CG PHE A 18 -14.723 -20.636 3.228 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.302 -21.820 2.757 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.735 -19.992 2.475 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.892 -22.361 1.532 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.324 -20.532 1.250 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.903 -21.716 0.779 1.00 16.66 C ATOM 0 H PHE A 18 -15.065 -17.710 3.690 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.106 -19.748 3.674 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.372 -19.435 4.970 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.359 -20.852 5.265 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.065 -22.316 3.338 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.289 -19.078 2.839 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.338 -23.275 1.168 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.561 -20.035 0.669 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.587 -22.133 -0.166 1.00 16.66 H new ATOM 312 N ASP A 19 -16.510 -18.209 6.542 1.00 16.66 N ATOM 313 CA ASP A 19 -17.136 -17.938 7.866 1.00 16.66 C ATOM 314 C ASP A 19 -18.557 -17.410 7.642 1.00 16.66 C ATOM 315 O ASP A 19 -18.755 -16.272 7.266 1.00 16.66 O ATOM 316 CB ASP A 19 -16.303 -16.896 8.623 1.00 16.66 C ATOM 317 CG ASP A 19 -16.563 -17.036 10.117 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.326 -17.911 10.478 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.991 -16.271 10.876 1.00 16.66 O ATOM 0 H ASP A 19 -15.612 -17.753 6.383 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.175 -18.854 8.455 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.243 -17.037 8.411 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.564 -15.892 8.289 1.00 16.66 H new ATOM 324 N ALA A 20 -19.548 -18.239 7.843 1.00 16.66 N ATOM 325 CA ALA A 20 -20.957 -17.803 7.613 1.00 16.66 C ATOM 326 C ALA A 20 -21.387 -16.747 8.638 1.00 16.66 C ATOM 327 O ALA A 20 -21.890 -15.702 8.279 1.00 16.66 O ATOM 328 CB ALA A 20 -21.882 -19.017 7.724 1.00 50.00 C ATOM 0 H ALA A 20 -19.441 -19.203 8.158 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.023 -17.362 6.618 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.913 -18.705 7.557 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.601 -19.758 6.976 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.792 -19.454 8.719 1.00 50.00 H new ATOM 334 N ASN A 21 -21.209 -17.003 9.907 1.00 16.66 N ATOM 335 CA ASN A 21 -21.634 -15.992 10.918 1.00 16.66 C ATOM 336 C ASN A 21 -20.505 -14.986 11.147 1.00 16.66 C ATOM 337 O ASN A 21 -20.740 -13.844 11.489 1.00 16.66 O ATOM 338 CB ASN A 21 -22.015 -16.687 12.232 1.00 16.66 C ATOM 339 CG ASN A 21 -20.791 -17.341 12.879 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.860 -17.721 12.197 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.786 -17.481 14.176 1.00 16.66 N ATOM 0 H ASN A 21 -20.794 -17.855 10.283 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.509 -15.458 10.547 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.450 -15.961 12.919 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.777 -17.442 12.041 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.989 -17.917 14.639 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.579 -17.154 14.727 1.00 16.66 H new ATOM 348 N GLY A 22 -19.285 -15.393 10.944 1.00 16.66 N ATOM 349 CA GLY A 22 -18.147 -14.449 11.131 1.00 16.66 C ATOM 350 C GLY A 22 -17.658 -14.494 12.579 1.00 16.66 C ATOM 351 O GLY A 22 -17.306 -13.483 13.155 1.00 16.66 O ATOM 0 H GLY A 22 -19.025 -16.337 10.657 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.332 -14.711 10.456 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.459 -13.436 10.876 1.00 16.66 H new ATOM 355 N ASP A 23 -17.616 -15.654 13.170 1.00 16.66 N ATOM 356 CA ASP A 23 -17.128 -15.743 14.576 1.00 16.66 C ATOM 357 C ASP A 23 -15.633 -16.077 14.570 1.00 16.66 C ATOM 358 O ASP A 23 -15.030 -16.292 15.603 1.00 16.66 O ATOM 359 CB ASP A 23 -17.908 -16.815 15.349 1.00 16.66 C ATOM 360 CG ASP A 23 -17.728 -18.185 14.692 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.310 -18.226 13.550 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.025 -19.172 15.344 1.00 16.66 O ATOM 0 H ASP A 23 -17.896 -16.539 12.746 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.285 -14.785 15.072 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.561 -16.852 16.382 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.966 -16.554 15.377 1.00 16.66 H new ATOM 367 N GLY A 24 -15.026 -16.100 13.410 1.00 16.66 N ATOM 368 CA GLY A 24 -13.566 -16.396 13.334 1.00 16.66 C ATOM 369 C GLY A 24 -13.333 -17.892 13.112 1.00 16.66 C ATOM 370 O GLY A 24 -12.218 -18.326 12.901 1.00 16.66 O ATOM 0 H GLY A 24 -15.480 -15.926 12.513 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.116 -15.827 12.521 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.076 -16.078 14.254 1.00 16.66 H new ATOM 374 N LYS A 25 -14.363 -18.691 13.170 1.00 16.66 N ATOM 375 CA LYS A 25 -14.171 -20.155 12.975 1.00 16.66 C ATOM 376 C LYS A 25 -15.176 -20.682 11.946 1.00 16.66 C ATOM 377 O LYS A 25 -16.323 -20.268 11.900 1.00 16.66 O ATOM 378 CB LYS A 25 -14.374 -20.879 14.309 1.00 50.00 C ATOM 379 CG LYS A 25 -15.841 -20.790 14.722 1.00 50.00 C ATOM 380 CD LYS A 25 -16.107 -21.775 15.863 1.00 50.00 C ATOM 381 CE LYS A 25 -17.614 -21.993 16.003 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.208 -22.245 14.659 1.00 50.00 N ATOM 0 H LYS A 25 -15.324 -18.395 13.343 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.160 -20.338 12.611 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.074 -21.923 14.217 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.742 -20.432 15.077 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.080 -19.775 15.039 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.484 -21.018 13.872 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.608 -22.723 15.664 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.696 -21.388 16.796 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.810 -22.838 16.663 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -18.078 -21.118 16.459 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.182 -22.591 14.769 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.215 -21.361 14.111 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.642 -22.959 14.157 1.00 50.00 H new ATOM 396 N ILE A 26 -14.747 -21.604 11.125 1.00 16.66 N ATOM 397 CA ILE A 26 -15.657 -22.179 10.098 1.00 16.66 C ATOM 398 C ILE A 26 -15.939 -23.645 10.427 1.00 16.66 C ATOM 399 O ILE A 26 -15.043 -24.409 10.725 1.00 16.66 O ATOM 400 CB ILE A 26 -14.996 -22.085 8.724 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.290 -20.736 8.589 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.063 -22.213 7.635 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.741 -20.594 7.169 1.00 16.66 C ATOM 0 H ILE A 26 -13.800 -21.984 11.124 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.594 -21.622 10.091 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.268 -22.889 8.616 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.986 -19.925 8.805 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.479 -20.662 9.314 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.592 -22.146 6.654 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.567 -23.175 7.731 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.792 -21.409 7.743 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.237 -19.633 7.068 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.033 -21.398 6.971 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.562 -20.649 6.454 1.00 16.66 H new ATOM 415 N SER A 27 -17.179 -24.043 10.370 1.00 16.66 N ATOM 416 CA SER A 27 -17.527 -25.457 10.673 1.00 16.66 C ATOM 417 C SER A 27 -17.856 -26.176 9.367 1.00 16.66 C ATOM 418 O SER A 27 -18.019 -25.557 8.335 1.00 16.66 O ATOM 419 CB SER A 27 -18.747 -25.494 11.595 1.00 50.00 C ATOM 420 OG SER A 27 -19.928 -25.328 10.823 1.00 50.00 O ATOM 0 H SER A 27 -17.969 -23.446 10.125 1.00 16.66 H new ATOM 0 HA SER A 27 -16.687 -25.948 11.165 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.781 -26.441 12.133 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.675 -24.705 12.343 1.00 50.00 H new ATOM 0 HG SER A 27 -20.710 -25.353 11.413 1.00 50.00 H new ATOM 426 N ALA A 28 -17.957 -27.474 9.395 1.00 16.66 N ATOM 427 CA ALA A 28 -18.279 -28.211 8.145 1.00 16.66 C ATOM 428 C ALA A 28 -19.499 -27.566 7.495 1.00 16.66 C ATOM 429 O ALA A 28 -19.525 -27.312 6.309 1.00 16.66 O ATOM 430 CB ALA A 28 -18.580 -29.675 8.471 1.00 50.00 C ATOM 0 H ALA A 28 -17.831 -28.053 10.225 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.431 -28.169 7.462 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.816 -30.211 7.552 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.709 -30.129 8.943 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.430 -29.729 9.151 1.00 50.00 H new ATOM 436 N ALA A 29 -20.512 -27.298 8.267 1.00 16.66 N ATOM 437 CA ALA A 29 -21.734 -26.667 7.700 1.00 16.66 C ATOM 438 C ALA A 29 -21.354 -25.360 7.005 1.00 16.66 C ATOM 439 O ALA A 29 -21.843 -25.049 5.936 1.00 16.66 O ATOM 440 CB ALA A 29 -22.729 -26.376 8.826 1.00 50.00 C ATOM 0 H ALA A 29 -20.547 -27.489 9.268 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.192 -27.344 6.979 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.624 -25.914 8.410 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.999 -27.308 9.323 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.273 -25.699 9.548 1.00 50.00 H new ATOM 446 N GLU A 30 -20.481 -24.593 7.597 1.00 16.66 N ATOM 447 CA GLU A 30 -20.072 -23.312 6.964 1.00 16.66 C ATOM 448 C GLU A 30 -19.153 -23.605 5.779 1.00 16.66 C ATOM 449 O GLU A 30 -19.393 -23.168 4.671 1.00 16.66 O ATOM 450 CB GLU A 30 -19.340 -22.442 7.990 1.00 16.66 C ATOM 451 CG GLU A 30 -20.313 -22.043 9.105 1.00 16.66 C ATOM 452 CD GLU A 30 -19.602 -21.133 10.111 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.580 -21.533 10.621 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.092 -20.052 10.356 1.00 16.66 O ATOM 0 H GLU A 30 -20.035 -24.799 8.491 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.955 -22.779 6.612 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.494 -22.987 8.408 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.938 -21.551 7.507 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.175 -21.528 8.681 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.689 -22.934 9.608 1.00 16.66 H new ATOM 461 N LEU A 31 -18.102 -24.343 6.001 1.00 16.66 N ATOM 462 CA LEU A 31 -17.169 -24.666 4.888 1.00 16.66 C ATOM 463 C LEU A 31 -17.938 -25.411 3.798 1.00 16.66 C ATOM 464 O LEU A 31 -17.820 -25.117 2.625 1.00 16.66 O ATOM 465 CB LEU A 31 -16.044 -25.555 5.428 1.00 16.66 C ATOM 466 CG LEU A 31 -14.873 -25.580 4.440 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.607 -26.043 5.165 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.182 -26.551 3.299 1.00 16.66 C ATOM 0 H LEU A 31 -17.849 -24.737 6.907 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.744 -23.753 4.472 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.707 -25.181 6.395 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.415 -26.567 5.590 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.722 -24.579 4.035 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.772 -26.062 4.464 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.382 -25.354 5.979 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.764 -27.043 5.569 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.347 -26.566 2.598 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.334 -27.551 3.704 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.085 -26.228 2.781 1.00 16.66 H new ATOM 480 N GLY A 32 -18.725 -26.374 4.183 1.00 16.66 N ATOM 481 CA GLY A 32 -19.509 -27.143 3.181 1.00 16.66 C ATOM 482 C GLY A 32 -20.462 -26.203 2.447 1.00 16.66 C ATOM 483 O GLY A 32 -20.606 -26.265 1.242 1.00 16.66 O ATOM 0 H GLY A 32 -18.859 -26.662 5.152 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.837 -27.624 2.470 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.072 -27.935 3.675 1.00 16.66 H new ATOM 487 N GLU A 33 -21.120 -25.337 3.163 1.00 16.66 N ATOM 488 CA GLU A 33 -22.070 -24.399 2.511 1.00 16.66 C ATOM 489 C GLU A 33 -21.339 -23.571 1.458 1.00 16.66 C ATOM 490 O GLU A 33 -21.850 -23.330 0.383 1.00 16.66 O ATOM 491 CB GLU A 33 -22.666 -23.473 3.569 1.00 50.00 C ATOM 492 CG GLU A 33 -23.827 -24.179 4.270 1.00 50.00 C ATOM 493 CD GLU A 33 -25.127 -23.899 3.514 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.100 -23.076 2.613 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.127 -24.514 3.845 1.00 50.00 O ATOM 0 H GLU A 33 -21.040 -25.239 4.175 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.866 -24.965 2.028 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -21.903 -23.196 4.296 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.014 -22.550 3.105 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.642 -25.252 4.311 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.910 -23.830 5.299 1.00 50.00 H new ATOM 502 N ALA A 34 -20.146 -23.137 1.748 1.00 16.66 N ATOM 503 CA ALA A 34 -19.395 -22.332 0.748 1.00 16.66 C ATOM 504 C ALA A 34 -18.949 -23.251 -0.386 1.00 16.66 C ATOM 505 O ALA A 34 -18.966 -22.885 -1.544 1.00 16.66 O ATOM 506 CB ALA A 34 -18.169 -21.703 1.412 1.00 50.00 C ATOM 0 H ALA A 34 -19.660 -23.304 2.629 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.032 -21.540 0.355 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.620 -21.114 0.678 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.489 -21.057 2.230 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.523 -22.489 1.802 1.00 50.00 H new ATOM 512 N LEU A 35 -18.543 -24.444 -0.055 1.00 99.99 N ATOM 513 CA LEU A 35 -18.084 -25.395 -1.099 1.00 99.99 C ATOM 514 C LEU A 35 -19.210 -25.662 -2.099 1.00 99.99 C ATOM 515 O LEU A 35 -18.962 -25.904 -3.263 1.00 99.99 O ATOM 516 CB LEU A 35 -17.670 -26.709 -0.436 1.00 99.99 C ATOM 517 CG LEU A 35 -16.279 -26.558 0.182 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.788 -27.921 0.674 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.304 -26.017 -0.867 1.00 99.99 C ATOM 0 H LEU A 35 -18.510 -24.801 0.900 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.235 -24.963 -1.629 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.392 -26.983 0.333 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.667 -27.513 -1.171 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.332 -25.863 1.020 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.797 -27.813 1.114 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.478 -28.307 1.424 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.739 -28.615 -0.165 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.314 -25.911 -0.423 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.252 -26.709 -1.707 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.650 -25.045 -1.219 1.00 99.99 H new ATOM 531 N LYS A 36 -20.442 -25.631 -1.664 1.00 99.99 N ATOM 532 CA LYS A 36 -21.565 -25.894 -2.607 1.00 99.99 C ATOM 533 C LYS A 36 -21.317 -25.149 -3.920 1.00 99.99 C ATOM 534 O LYS A 36 -21.757 -25.566 -4.973 1.00 99.99 O ATOM 535 CB LYS A 36 -22.878 -25.414 -1.987 1.00 99.99 C ATOM 536 CG LYS A 36 -23.725 -26.624 -1.588 1.00 99.99 C ATOM 537 CD LYS A 36 -24.963 -26.151 -0.823 1.00 99.99 C ATOM 538 CE LYS A 36 -25.158 -27.024 0.419 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.557 -27.536 0.452 1.00 99.99 N ATOM 0 H LYS A 36 -20.717 -25.436 -0.701 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.628 -26.964 -2.804 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.675 -24.794 -1.113 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.423 -24.793 -2.698 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.024 -27.181 -2.476 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.139 -27.303 -0.968 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.847 -25.107 -0.532 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.843 -26.208 -1.463 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.455 -27.857 0.405 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.950 -26.446 1.319 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.690 -28.129 1.296 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.219 -26.735 0.484 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.740 -28.102 -0.401 1.00 99.99 H new ATOM 553 N THR A 37 -20.618 -24.051 -3.866 1.00 99.99 N ATOM 554 CA THR A 37 -20.343 -23.282 -5.111 1.00 99.99 C ATOM 555 C THR A 37 -19.733 -24.217 -6.156 1.00 99.99 C ATOM 556 O THR A 37 -19.862 -24.007 -7.346 1.00 99.99 O ATOM 557 CB THR A 37 -19.366 -22.143 -4.798 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.387 -21.199 -5.859 1.00 99.99 O ATOM 559 CG2 THR A 37 -17.950 -22.701 -4.635 1.00 99.99 C ATOM 0 H THR A 37 -20.225 -23.652 -3.013 1.00 99.99 H new ATOM 0 HA THR A 37 -21.271 -22.863 -5.500 1.00 99.99 H new ATOM 0 HB THR A 37 -19.666 -21.656 -3.870 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.507 -20.298 -5.493 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.261 -21.886 -4.413 1.00 99.99 H new ATOM 0 HG22 THR A 37 -17.935 -23.422 -3.818 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.644 -23.193 -5.558 1.00 99.99 H new ATOM 567 N LEU A 38 -19.072 -25.252 -5.718 1.00 16.66 N ATOM 568 CA LEU A 38 -18.456 -26.206 -6.681 1.00 16.66 C ATOM 569 C LEU A 38 -19.544 -26.777 -7.591 1.00 16.66 C ATOM 570 O LEU A 38 -19.318 -27.052 -8.752 1.00 16.66 O ATOM 571 CB LEU A 38 -17.783 -27.347 -5.913 1.00 50.00 C ATOM 572 CG LEU A 38 -16.582 -26.802 -5.137 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.742 -27.970 -4.614 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.727 -25.934 -6.062 1.00 50.00 C ATOM 0 H LEU A 38 -18.932 -25.478 -4.733 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.710 -25.686 -7.283 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.494 -27.807 -5.227 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.460 -28.124 -6.605 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.934 -26.201 -4.298 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.886 -27.584 -4.061 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.350 -28.589 -3.955 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.391 -28.570 -5.453 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.872 -25.546 -5.509 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.375 -26.534 -6.901 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.325 -25.103 -6.436 1.00 50.00 H new ATOM 586 N GLY A 39 -20.727 -26.951 -7.069 1.00 16.66 N ATOM 587 CA GLY A 39 -21.837 -27.499 -7.897 1.00 16.66 C ATOM 588 C GLY A 39 -21.612 -28.994 -8.141 1.00 16.66 C ATOM 589 O GLY A 39 -22.379 -29.641 -8.826 1.00 16.66 O ATOM 0 H GLY A 39 -20.973 -26.737 -6.103 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.791 -27.343 -7.393 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -21.889 -26.970 -8.848 1.00 16.66 H new ATOM 593 N SER A 40 -20.568 -29.548 -7.588 1.00 16.66 N ATOM 594 CA SER A 40 -20.301 -30.999 -7.797 1.00 16.66 C ATOM 595 C SER A 40 -19.446 -31.535 -6.647 1.00 16.66 C ATOM 596 O SER A 40 -18.373 -32.067 -6.857 1.00 16.66 O ATOM 597 CB SER A 40 -19.553 -31.190 -9.116 1.00 16.66 C ATOM 598 OG SER A 40 -20.460 -31.629 -10.117 1.00 16.66 O ATOM 0 H SER A 40 -19.890 -29.060 -7.002 1.00 16.66 H new ATOM 0 HA SER A 40 -21.246 -31.541 -7.828 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.085 -30.253 -9.420 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.753 -31.920 -8.990 1.00 16.66 H new ATOM 0 HG SER A 40 -21.312 -31.154 -10.018 1.00 16.66 H new ATOM 604 N ILE A 41 -19.908 -31.404 -5.434 1.00 16.66 N ATOM 605 CA ILE A 41 -19.112 -31.913 -4.281 1.00 16.66 C ATOM 606 C ILE A 41 -20.043 -32.589 -3.268 1.00 16.66 C ATOM 607 O ILE A 41 -21.250 -32.486 -3.352 1.00 16.66 O ATOM 608 CB ILE A 41 -18.365 -30.744 -3.617 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.132 -31.279 -2.885 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.278 -30.029 -2.615 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.242 -30.109 -2.463 1.00 16.66 C ATOM 0 H ILE A 41 -20.798 -30.969 -5.192 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.386 -32.645 -4.634 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.061 -30.036 -4.388 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.436 -31.853 -2.010 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.577 -31.957 -3.533 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.736 -29.204 -2.153 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.155 -29.641 -3.134 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.594 -30.732 -1.844 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.364 -30.490 -1.942 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.927 -29.554 -3.347 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.800 -29.448 -1.799 1.00 16.66 H new ATOM 623 N THR A 42 -19.485 -33.274 -2.310 1.00 16.66 N ATOM 624 CA THR A 42 -20.328 -33.952 -1.286 1.00 16.66 C ATOM 625 C THR A 42 -19.907 -33.466 0.096 1.00 16.66 C ATOM 626 O THR A 42 -18.857 -32.878 0.261 1.00 16.66 O ATOM 627 CB THR A 42 -20.136 -35.480 -1.360 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.374 -35.919 -0.243 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.403 -35.859 -2.648 1.00 16.66 C ATOM 0 H THR A 42 -18.479 -33.394 -2.191 1.00 16.66 H new ATOM 0 HA THR A 42 -21.376 -33.717 -1.472 1.00 16.66 H new ATOM 0 HB THR A 42 -21.116 -35.958 -1.351 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.741 -36.610 -0.530 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.274 -36.941 -2.688 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.986 -35.531 -3.508 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.426 -35.376 -2.666 1.00 16.66 H new ATOM 637 N PRO A 43 -20.731 -33.738 1.111 1.00 16.66 N ATOM 638 CA PRO A 43 -20.424 -33.346 2.485 1.00 16.66 C ATOM 639 C PRO A 43 -19.252 -34.166 3.016 1.00 16.66 C ATOM 640 O PRO A 43 -18.452 -33.698 3.801 1.00 16.66 O ATOM 641 CB PRO A 43 -21.705 -33.683 3.250 1.00 50.00 C ATOM 642 CG PRO A 43 -22.354 -34.752 2.438 1.00 50.00 C ATOM 643 CD PRO A 43 -22.019 -34.446 1.005 1.00 50.00 C ATOM 0 HA PRO A 43 -20.139 -32.298 2.579 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.485 -34.030 4.260 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.351 -32.810 3.347 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.984 -35.737 2.723 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.433 -34.759 2.593 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.933 -35.354 0.408 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.783 -33.827 0.535 1.00 50.00 H new ATOM 651 N ASP A 44 -19.154 -35.396 2.591 1.00 16.66 N ATOM 652 CA ASP A 44 -18.045 -36.269 3.065 1.00 16.66 C ATOM 653 C ASP A 44 -16.698 -35.696 2.621 1.00 16.66 C ATOM 654 O ASP A 44 -15.689 -35.904 3.264 1.00 16.66 O ATOM 655 CB ASP A 44 -18.215 -37.672 2.480 1.00 50.00 C ATOM 656 CG ASP A 44 -19.432 -38.346 3.116 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.943 -37.809 4.085 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.832 -39.388 2.623 1.00 50.00 O ATOM 0 H ASP A 44 -19.798 -35.835 1.933 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.072 -36.317 4.154 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.342 -37.614 1.399 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.320 -38.265 2.664 1.00 50.00 H new ATOM 663 N GLU A 45 -16.664 -34.974 1.534 1.00 16.66 N ATOM 664 CA GLU A 45 -15.372 -34.396 1.077 1.00 16.66 C ATOM 665 C GLU A 45 -15.104 -33.126 1.876 1.00 16.66 C ATOM 666 O GLU A 45 -13.981 -32.819 2.224 1.00 16.66 O ATOM 667 CB GLU A 45 -15.455 -34.062 -0.413 1.00 16.66 C ATOM 668 CG GLU A 45 -15.610 -35.355 -1.217 1.00 16.66 C ATOM 669 CD GLU A 45 -15.633 -35.028 -2.712 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.573 -33.856 -3.043 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.710 -35.956 -3.500 1.00 16.66 O ATOM 0 H GLU A 45 -17.471 -34.761 0.947 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.565 -35.112 1.231 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.300 -33.400 -0.602 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.557 -33.530 -0.728 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.787 -36.034 -0.995 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.530 -35.865 -0.931 1.00 16.66 H new ATOM 678 N VAL A 46 -16.136 -32.393 2.178 1.00 16.66 N ATOM 679 CA VAL A 46 -15.957 -31.145 2.966 1.00 16.66 C ATOM 680 C VAL A 46 -15.486 -31.506 4.374 1.00 16.66 C ATOM 681 O VAL A 46 -14.700 -30.805 4.979 1.00 16.66 O ATOM 682 CB VAL A 46 -17.289 -30.403 3.054 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.151 -29.215 4.011 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.677 -29.904 1.662 1.00 50.00 C ATOM 0 H VAL A 46 -17.098 -32.605 1.913 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.218 -30.508 2.481 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.061 -31.075 3.428 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.102 -28.686 4.073 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.871 -29.576 5.001 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.382 -28.537 3.641 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.627 -29.373 1.718 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.906 -29.230 1.289 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.775 -30.753 0.985 1.00 50.00 H new ATOM 694 N LYS A 47 -15.957 -32.604 4.891 1.00 16.66 N ATOM 695 CA LYS A 47 -15.534 -33.025 6.253 1.00 16.66 C ATOM 696 C LYS A 47 -14.058 -33.412 6.214 1.00 16.66 C ATOM 697 O LYS A 47 -13.306 -33.139 7.128 1.00 16.66 O ATOM 698 CB LYS A 47 -16.369 -34.223 6.707 1.00 16.66 C ATOM 699 CG LYS A 47 -15.848 -34.727 8.055 1.00 16.66 C ATOM 700 CD LYS A 47 -16.652 -35.953 8.489 1.00 16.66 C ATOM 701 CE LYS A 47 -16.162 -37.182 7.719 1.00 50.00 C ATOM 702 NZ LYS A 47 -17.332 -38.005 7.301 1.00 50.00 N ATOM 0 H LYS A 47 -16.617 -33.229 4.429 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.683 -32.204 6.955 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -17.417 -33.937 6.794 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.316 -35.019 5.964 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -14.791 -34.982 7.976 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -15.931 -33.941 8.805 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -16.540 -36.114 9.561 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -17.713 -35.791 8.300 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -15.590 -36.872 6.844 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -15.493 -37.773 8.344 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -17.000 -38.840 6.778 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -17.860 -38.311 8.143 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -17.954 -37.439 6.690 1.00 50.00 H new ATOM 716 N HIS A 48 -13.638 -34.043 5.154 1.00 16.66 N ATOM 717 CA HIS A 48 -12.210 -34.445 5.044 1.00 16.66 C ATOM 718 C HIS A 48 -11.341 -33.191 4.929 1.00 16.66 C ATOM 719 O HIS A 48 -10.258 -33.123 5.479 1.00 16.66 O ATOM 720 CB HIS A 48 -12.018 -35.312 3.801 1.00 16.66 C ATOM 721 CG HIS A 48 -10.577 -35.728 3.696 1.00 16.66 C ATOM 722 ND1 HIS A 48 -9.926 -35.836 2.477 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.648 -36.066 4.649 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.661 -36.224 2.727 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.439 -36.378 4.034 1.00 50.00 N ATOM 0 H HIS A 48 -14.223 -34.298 4.358 1.00 16.66 H new ATOM 0 HA HIS A 48 -11.921 -35.012 5.929 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.658 -36.192 3.856 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.313 -34.759 2.910 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.828 -36.087 5.714 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -7.916 -36.390 1.963 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.570 -36.663 4.485 1.00 50.00 H new ATOM 733 N MET A 49 -11.806 -32.194 4.225 1.00 16.66 N ATOM 734 CA MET A 49 -11.004 -30.952 4.087 1.00 16.66 C ATOM 735 C MET A 49 -10.803 -30.339 5.469 1.00 16.66 C ATOM 736 O MET A 49 -9.710 -29.960 5.843 1.00 16.66 O ATOM 737 CB MET A 49 -11.749 -29.965 3.192 1.00 16.66 C ATOM 738 CG MET A 49 -11.509 -30.327 1.725 1.00 16.66 C ATOM 739 SD MET A 49 -11.848 -28.885 0.685 1.00 16.66 S ATOM 740 CE MET A 49 -12.601 -29.776 -0.698 1.00 16.66 C ATOM 0 H MET A 49 -12.704 -32.189 3.742 1.00 16.66 H new ATOM 0 HA MET A 49 -10.036 -31.181 3.641 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.816 -29.990 3.414 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.406 -28.949 3.388 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.480 -30.656 1.584 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.152 -31.158 1.434 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.893 -29.066 -1.472 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.882 -30.486 -1.108 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.482 -30.313 -0.348 1.00 16.66 H new ATOM 750 N MET A 50 -11.852 -30.246 6.232 1.00 16.66 N ATOM 751 CA MET A 50 -11.732 -29.666 7.594 1.00 16.66 C ATOM 752 C MET A 50 -10.787 -30.532 8.424 1.00 16.66 C ATOM 753 O MET A 50 -9.887 -30.043 9.073 1.00 16.66 O ATOM 754 CB MET A 50 -13.111 -29.633 8.250 1.00 16.66 C ATOM 755 CG MET A 50 -13.843 -28.359 7.829 1.00 16.66 C ATOM 756 SD MET A 50 -15.224 -28.058 8.957 1.00 16.66 S ATOM 757 CE MET A 50 -14.251 -27.394 10.330 1.00 50.00 C ATOM 0 H MET A 50 -12.790 -30.548 5.970 1.00 16.66 H new ATOM 0 HA MET A 50 -11.337 -28.652 7.533 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.687 -30.511 7.956 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.011 -29.666 9.335 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.158 -27.512 7.842 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.209 -28.458 6.807 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.918 -26.941 11.063 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.689 -28.200 10.801 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.559 -26.640 9.954 1.00 50.00 H new ATOM 767 N ALA A 51 -10.984 -31.817 8.401 1.00 16.66 N ATOM 768 CA ALA A 51 -10.098 -32.723 9.184 1.00 16.66 C ATOM 769 C ALA A 51 -8.651 -32.537 8.721 1.00 16.66 C ATOM 770 O ALA A 51 -7.716 -32.879 9.417 1.00 16.66 O ATOM 771 CB ALA A 51 -10.524 -34.175 8.958 1.00 50.00 C ATOM 0 H ALA A 51 -11.722 -32.283 7.873 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.176 -32.485 10.245 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.876 -34.838 9.531 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.556 -34.306 9.284 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.444 -34.417 7.898 1.00 50.00 H new ATOM 777 N GLU A 52 -8.461 -31.991 7.551 1.00 16.66 N ATOM 778 CA GLU A 52 -7.075 -31.777 7.046 1.00 16.66 C ATOM 779 C GLU A 52 -6.659 -30.335 7.329 1.00 16.66 C ATOM 780 O GLU A 52 -5.518 -30.053 7.637 1.00 16.66 O ATOM 781 CB GLU A 52 -7.034 -32.037 5.538 1.00 16.66 C ATOM 782 CG GLU A 52 -6.898 -33.538 5.282 1.00 16.66 C ATOM 783 CD GLU A 52 -6.360 -33.767 3.868 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.364 -32.824 3.094 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.952 -34.882 3.584 1.00 16.66 O ATOM 0 H GLU A 52 -9.204 -31.684 6.924 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.390 -32.462 7.546 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.942 -31.658 5.068 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.196 -31.503 5.089 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.226 -33.983 6.015 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.865 -34.027 5.398 1.00 16.66 H new ATOM 792 N ILE A 53 -7.582 -29.422 7.227 1.00 16.66 N ATOM 793 CA ILE A 53 -7.260 -27.995 7.487 1.00 16.66 C ATOM 794 C ILE A 53 -7.286 -27.724 8.992 1.00 16.66 C ATOM 795 O ILE A 53 -6.549 -26.901 9.498 1.00 16.66 O ATOM 796 CB ILE A 53 -8.306 -27.125 6.797 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.268 -27.389 5.293 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.002 -25.656 7.075 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.392 -26.610 4.611 1.00 50.00 C ATOM 0 H ILE A 53 -8.553 -29.606 6.973 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.267 -27.765 7.102 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.298 -27.365 7.179 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.303 -27.089 4.884 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.379 -28.455 5.097 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.747 -25.031 6.583 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.029 -25.476 8.150 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.012 -25.410 6.691 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.366 -26.798 3.538 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.353 -26.932 5.012 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.260 -25.544 4.796 1.00 50.00 H new ATOM 811 N ASP A 54 -8.125 -28.413 9.712 1.00 16.66 N ATOM 812 CA ASP A 54 -8.204 -28.208 11.182 1.00 16.66 C ATOM 813 C ASP A 54 -6.833 -28.501 11.800 1.00 16.66 C ATOM 814 O ASP A 54 -6.445 -29.639 11.967 1.00 16.66 O ATOM 815 CB ASP A 54 -9.253 -29.171 11.740 1.00 16.66 C ATOM 816 CG ASP A 54 -9.831 -28.626 13.050 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.468 -27.527 13.427 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.638 -29.318 13.649 1.00 16.66 O ATOM 0 H ASP A 54 -8.765 -29.115 9.341 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.485 -27.182 11.418 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.052 -29.311 11.012 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.804 -30.149 11.912 1.00 16.66 H new ATOM 823 N THR A 55 -6.087 -27.475 12.118 1.00 16.66 N ATOM 824 CA THR A 55 -4.728 -27.682 12.702 1.00 16.66 C ATOM 825 C THR A 55 -4.828 -28.214 14.131 1.00 16.66 C ATOM 826 O THR A 55 -4.166 -29.165 14.496 1.00 16.66 O ATOM 827 CB THR A 55 -3.979 -26.349 12.716 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.685 -25.421 13.527 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.870 -25.807 11.290 1.00 50.00 C ATOM 0 H THR A 55 -6.361 -26.500 11.998 1.00 16.66 H new ATOM 0 HA THR A 55 -4.194 -28.411 12.093 1.00 16.66 H new ATOM 0 HB THR A 55 -2.978 -26.498 13.121 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.636 -25.656 13.541 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.336 -24.857 11.302 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.327 -26.521 10.670 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.869 -25.657 10.881 1.00 50.00 H new ATOM 837 N ASP A 56 -5.641 -27.608 14.945 1.00 16.66 N ATOM 838 CA ASP A 56 -5.768 -28.084 16.356 1.00 16.66 C ATOM 839 C ASP A 56 -6.799 -29.212 16.424 1.00 16.66 C ATOM 840 O ASP A 56 -6.697 -30.109 17.237 1.00 16.66 O ATOM 841 CB ASP A 56 -6.198 -26.930 17.270 1.00 16.66 C ATOM 842 CG ASP A 56 -7.151 -26.000 16.523 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.132 -26.492 15.996 1.00 16.66 O ATOM 844 OD2 ASP A 56 -6.884 -24.810 16.488 1.00 16.66 O ATOM 0 H ASP A 56 -6.223 -26.807 14.701 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.800 -28.455 16.694 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.685 -27.324 18.162 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.322 -26.374 17.605 1.00 16.66 H new ATOM 849 N GLY A 57 -7.783 -29.186 15.569 1.00 16.66 N ATOM 850 CA GLY A 57 -8.805 -30.270 15.581 1.00 16.66 C ATOM 851 C GLY A 57 -9.993 -29.872 16.462 1.00 16.66 C ATOM 852 O GLY A 57 -10.667 -30.716 17.019 1.00 16.66 O ATOM 0 H GLY A 57 -7.924 -28.463 14.864 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.147 -30.468 14.565 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.361 -31.193 15.953 1.00 16.66 H new ATOM 856 N ASP A 58 -10.261 -28.602 16.598 1.00 16.66 N ATOM 857 CA ASP A 58 -11.414 -28.183 17.447 1.00 16.66 C ATOM 858 C ASP A 58 -12.710 -28.295 16.639 1.00 16.66 C ATOM 859 O ASP A 58 -13.790 -28.059 17.144 1.00 16.66 O ATOM 860 CB ASP A 58 -11.223 -26.741 17.931 1.00 50.00 C ATOM 861 CG ASP A 58 -10.592 -25.901 16.824 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.996 -26.060 15.687 1.00 50.00 O ATOM 863 OD2 ASP A 58 -9.714 -25.111 17.132 1.00 50.00 O ATOM 0 H ASP A 58 -9.738 -27.842 16.163 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.471 -28.837 18.317 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.184 -26.315 18.220 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.588 -26.727 18.817 1.00 50.00 H new ATOM 868 N GLY A 59 -12.615 -28.672 15.389 1.00 16.66 N ATOM 869 CA GLY A 59 -13.844 -28.818 14.558 1.00 16.66 C ATOM 870 C GLY A 59 -14.040 -27.588 13.667 1.00 16.66 C ATOM 871 O GLY A 59 -14.901 -27.568 12.811 1.00 16.66 O ATOM 0 H GLY A 59 -11.740 -28.884 14.910 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.768 -29.713 13.940 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.713 -28.949 15.203 1.00 16.66 H new ATOM 875 N PHE A 60 -13.264 -26.558 13.862 1.00 16.66 N ATOM 876 CA PHE A 60 -13.437 -25.339 13.020 1.00 16.66 C ATOM 877 C PHE A 60 -12.092 -24.835 12.491 1.00 16.66 C ATOM 878 O PHE A 60 -11.035 -25.070 13.066 1.00 16.66 O ATOM 879 CB PHE A 60 -14.081 -24.229 13.848 1.00 50.00 C ATOM 880 CG PHE A 60 -15.293 -24.764 14.566 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.527 -24.808 13.911 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.183 -25.209 15.888 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.653 -25.299 14.578 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.309 -25.701 16.555 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.546 -25.746 15.900 1.00 50.00 C ATOM 0 H PHE A 60 -12.523 -26.506 14.561 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.073 -25.604 12.175 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.363 -23.838 14.569 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.367 -23.400 13.201 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.610 -24.463 12.891 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.229 -25.172 16.393 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.607 -25.333 14.073 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.225 -26.046 17.575 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.417 -26.125 16.414 1.00 50.00 H new ATOM 895 N ILE A 61 -12.127 -24.115 11.404 1.00 16.66 N ATOM 896 CA ILE A 61 -10.878 -23.561 10.833 1.00 16.66 C ATOM 897 C ILE A 61 -10.859 -22.053 11.084 1.00 16.66 C ATOM 898 O ILE A 61 -11.804 -21.353 10.778 1.00 16.66 O ATOM 899 CB ILE A 61 -10.842 -23.830 9.328 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.195 -25.296 9.058 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.439 -23.534 8.793 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.174 -26.206 9.743 1.00 16.66 C ATOM 0 H ILE A 61 -12.976 -23.888 10.887 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.011 -24.029 11.299 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.566 -23.188 8.827 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.197 -25.513 9.429 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.204 -25.486 7.985 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.411 -23.725 7.720 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.190 -22.490 8.982 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.715 -24.176 9.295 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.428 -27.248 9.549 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.179 -25.996 9.351 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.187 -26.023 10.817 1.00 16.66 H new ATOM 914 N SER A 62 -9.793 -21.541 11.629 1.00 16.66 N ATOM 915 CA SER A 62 -9.719 -20.079 11.888 1.00 16.66 C ATOM 916 C SER A 62 -8.990 -19.414 10.725 1.00 16.66 C ATOM 917 O SER A 62 -8.380 -20.074 9.906 1.00 16.66 O ATOM 918 CB SER A 62 -8.954 -19.824 13.188 1.00 16.66 C ATOM 919 OG SER A 62 -8.010 -20.865 13.394 1.00 16.66 O ATOM 0 H SER A 62 -8.968 -22.073 11.907 1.00 16.66 H new ATOM 0 HA SER A 62 -10.724 -19.667 11.982 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.445 -18.861 13.140 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.648 -19.776 14.027 1.00 16.66 H new ATOM 0 HG SER A 62 -7.519 -20.701 14.226 1.00 16.66 H new ATOM 925 N PHE A 63 -9.040 -18.117 10.638 1.00 16.66 N ATOM 926 CA PHE A 63 -8.341 -17.437 9.518 1.00 16.66 C ATOM 927 C PHE A 63 -6.881 -17.877 9.519 1.00 16.66 C ATOM 928 O PHE A 63 -6.301 -18.159 8.489 1.00 16.66 O ATOM 929 CB PHE A 63 -8.413 -15.922 9.695 1.00 16.66 C ATOM 930 CG PHE A 63 -7.685 -15.269 8.550 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.037 -15.584 7.234 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.652 -14.360 8.800 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.360 -14.988 6.166 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.973 -13.763 7.733 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.328 -14.077 6.414 1.00 16.66 C ATOM 0 H PHE A 63 -9.530 -17.503 11.288 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.817 -17.703 8.574 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.452 -15.593 9.719 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.964 -15.630 10.644 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.833 -16.289 7.042 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.379 -14.119 9.817 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.634 -15.231 5.150 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.176 -13.060 7.925 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.805 -13.616 5.589 1.00 16.66 H new ATOM 945 N GLN A 64 -6.288 -17.944 10.675 1.00 16.66 N ATOM 946 CA GLN A 64 -4.869 -18.372 10.765 1.00 16.66 C ATOM 947 C GLN A 64 -4.736 -19.792 10.208 1.00 16.66 C ATOM 948 O GLN A 64 -3.891 -20.068 9.380 1.00 16.66 O ATOM 949 CB GLN A 64 -4.439 -18.352 12.230 1.00 16.66 C ATOM 950 CG GLN A 64 -2.930 -18.593 12.325 1.00 16.66 C ATOM 951 CD GLN A 64 -2.187 -17.458 11.617 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.365 -16.302 11.947 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.356 -17.741 10.652 1.00 50.00 N ATOM 0 H GLN A 64 -6.729 -17.719 11.567 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.236 -17.697 10.188 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.694 -17.393 12.681 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.976 -19.119 12.788 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.624 -18.646 13.370 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.674 -19.550 11.869 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.207 -18.711 10.375 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.855 -16.992 10.174 1.00 50.00 H new ATOM 962 N GLU A 65 -5.570 -20.694 10.652 1.00 16.66 N ATOM 963 CA GLU A 65 -5.500 -22.091 10.146 1.00 16.66 C ATOM 964 C GLU A 65 -5.698 -22.084 8.632 1.00 16.66 C ATOM 965 O GLU A 65 -4.966 -22.714 7.893 1.00 16.66 O ATOM 966 CB GLU A 65 -6.606 -22.922 10.796 1.00 16.66 C ATOM 967 CG GLU A 65 -6.141 -23.431 12.163 1.00 16.66 C ATOM 968 CD GLU A 65 -7.276 -24.212 12.833 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.415 -23.947 12.524 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.987 -25.062 13.645 1.00 16.66 O ATOM 0 H GLU A 65 -6.298 -20.521 11.345 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.529 -22.522 10.390 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.507 -22.319 10.910 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.865 -23.764 10.154 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.266 -24.070 12.046 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.842 -22.593 12.792 1.00 16.66 H new ATOM 977 N PHE A 66 -6.685 -21.372 8.166 1.00 16.66 N ATOM 978 CA PHE A 66 -6.941 -21.313 6.701 1.00 16.66 C ATOM 979 C PHE A 66 -5.750 -20.655 6.005 1.00 16.66 C ATOM 980 O PHE A 66 -5.378 -21.020 4.908 1.00 16.66 O ATOM 981 CB PHE A 66 -8.205 -20.491 6.443 1.00 16.66 C ATOM 982 CG PHE A 66 -8.525 -20.501 4.968 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.926 -19.567 4.115 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.425 -21.442 4.453 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.226 -19.574 2.748 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.725 -21.449 3.085 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.126 -20.515 2.233 1.00 16.66 C ATOM 0 H PHE A 66 -7.328 -20.826 8.740 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.077 -22.321 6.310 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.040 -20.903 7.009 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.061 -19.467 6.787 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.232 -18.841 4.512 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.888 -22.163 5.111 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.763 -18.853 2.090 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.419 -22.175 2.688 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.358 -20.520 1.178 1.00 16.66 H new ATOM 997 N THR A 67 -5.146 -19.690 6.640 1.00 16.66 N ATOM 998 CA THR A 67 -3.976 -19.007 6.023 1.00 16.66 C ATOM 999 C THR A 67 -2.817 -19.999 5.911 1.00 16.66 C ATOM 1000 O THR A 67 -2.198 -20.132 4.873 1.00 16.66 O ATOM 1001 CB THR A 67 -3.554 -17.825 6.899 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.581 -16.843 6.892 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.259 -17.219 6.355 1.00 50.00 C ATOM 0 H THR A 67 -5.413 -19.344 7.562 1.00 16.66 H new ATOM 0 HA THR A 67 -4.245 -18.643 5.031 1.00 16.66 H new ATOM 0 HB THR A 67 -3.388 -18.170 7.920 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.408 -17.232 7.247 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.960 -16.378 6.980 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.473 -17.974 6.363 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.420 -16.873 5.334 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.518 -20.696 6.972 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.400 -21.679 6.928 1.00 25.00 C ATOM 1013 C ASP A 68 -1.693 -22.734 5.860 1.00 25.00 C ATOM 1014 O ASP A 68 -0.802 -23.222 5.193 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.259 -22.356 8.293 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.831 -21.321 9.334 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.494 -20.216 8.938 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.846 -21.649 10.508 1.00 50.00 O ATOM 0 H ASP A 68 -3.000 -20.627 7.868 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.471 -21.163 6.684 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.206 -22.811 8.585 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.523 -23.158 8.239 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.937 -23.088 5.690 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.294 -24.105 4.668 1.00 25.00 C ATOM 1025 C PHE A 69 -3.324 -23.423 3.296 1.00 25.00 C ATOM 1026 O PHE A 69 -2.920 -23.990 2.299 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.667 -24.701 5.036 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.446 -25.067 3.796 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.012 -24.057 3.015 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.601 -26.407 3.432 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.734 -24.386 1.863 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.323 -26.740 2.281 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.889 -25.728 1.495 1.00 50.00 C ATOM 0 H PHE A 69 -3.724 -22.713 6.219 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.564 -24.914 4.634 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.529 -25.586 5.658 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.234 -23.981 5.627 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.892 -23.022 3.300 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.163 -27.186 4.039 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.171 -23.606 1.258 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.444 -27.775 1.999 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.445 -25.983 0.605 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.795 -22.208 3.241 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.844 -21.484 1.940 1.00 16.66 C ATOM 1045 C GLY A 70 -2.432 -21.408 1.357 1.00 16.66 C ATOM 1046 O GLY A 70 -2.246 -21.345 0.158 1.00 16.66 O ATOM 0 H GLY A 70 -4.149 -21.685 4.042 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.510 -21.999 1.248 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.247 -20.481 2.082 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.437 -21.423 2.200 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.036 -21.363 1.700 1.00 25.00 C ATOM 1052 C ARG A 71 0.307 -22.695 1.034 1.00 25.00 C ATOM 1053 O ARG A 71 1.071 -22.756 0.091 1.00 25.00 O ATOM 1054 CB ARG A 71 0.916 -21.118 2.872 1.00 50.00 C ATOM 1055 CG ARG A 71 0.753 -19.681 3.368 1.00 50.00 C ATOM 1056 CD ARG A 71 1.784 -19.399 4.462 1.00 50.00 C ATOM 1057 NE ARG A 71 1.697 -20.456 5.509 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.517 -20.438 6.524 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.147 -19.896 7.652 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.707 -20.963 6.412 1.00 50.00 N ATOM 0 H ARG A 71 -1.534 -21.474 3.214 1.00 25.00 H new ATOM 0 HA ARG A 71 0.066 -20.551 0.980 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.704 -21.819 3.679 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.946 -21.292 2.561 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.884 -18.983 2.541 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.255 -19.531 3.756 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.787 -19.376 4.035 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.603 -18.419 4.903 1.00 50.00 H new ATOM 0 HE ARG A 71 0.997 -21.193 5.432 1.00 50.00 H new ATOM 0 HH11 ARG A 71 1.217 -19.487 7.740 1.00 50.00 H new ATOM 0 HH12 ARG A 71 2.788 -19.882 8.445 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.996 -21.388 5.531 1.00 50.00 H new ATOM 0 HH22 ARG A 71 4.348 -20.949 7.206 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.259 -23.763 1.521 1.00 25.00 N ATOM 1075 CA ALA A 72 0.019 -25.099 0.926 1.00 25.00 C ATOM 1076 C ALA A 72 -0.550 -25.148 -0.494 1.00 25.00 C ATOM 1077 O ALA A 72 -0.141 -25.950 -1.311 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.647 -26.179 1.780 1.00 50.00 C ATOM 0 H ALA A 72 -0.906 -23.768 2.310 1.00 25.00 H new ATOM 0 HA ALA A 72 1.095 -25.271 0.893 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.446 -27.159 1.348 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.247 -26.140 2.793 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.723 -26.008 1.808 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.488 -24.291 -0.794 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.084 -24.282 -2.159 1.00 25.00 C ATOM 1086 C ASN A 73 -2.580 -22.872 -2.480 1.00 25.00 C ATOM 1087 O ASN A 73 -3.735 -22.666 -2.799 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.259 -25.261 -2.211 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.961 -26.464 -1.314 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.154 -27.306 -1.655 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.584 -26.579 -0.174 1.00 50.00 N ATOM 0 H ASN A 73 -1.867 -23.596 -0.151 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.332 -24.582 -2.889 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.173 -24.766 -1.882 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.426 -25.591 -3.236 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.394 -27.377 0.433 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.261 -25.871 0.111 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.717 -21.899 -2.396 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.136 -20.502 -2.694 1.00 25.00 C ATOM 1100 C ARG A 74 -2.901 -20.490 -4.013 1.00 25.00 C ATOM 1101 O ARG A 74 -3.829 -19.730 -4.203 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.901 -19.606 -2.808 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.006 -20.114 -3.940 1.00 25.00 C ATOM 1104 CD ARG A 74 1.275 -19.280 -3.990 1.00 25.00 C ATOM 1105 NE ARG A 74 0.925 -17.836 -4.090 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.583 -17.059 -4.907 1.00 50.00 C ATOM 1107 NH1 ARG A 74 2.854 -17.265 -5.122 1.00 50.00 N ATOM 1108 NH2 ARG A 74 0.971 -16.076 -5.509 1.00 50.00 N ATOM 0 H ARG A 74 -0.738 -22.011 -2.133 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.773 -20.128 -1.892 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -1.202 -18.576 -3.002 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.351 -19.605 -1.867 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.237 -21.165 -3.782 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.533 -20.048 -4.892 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.873 -19.459 -3.096 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.882 -19.578 -4.845 1.00 25.00 H new ATOM 0 HE ARG A 74 0.171 -17.454 -3.520 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.333 -18.033 -4.652 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.368 -16.658 -5.760 1.00 50.00 H new ATOM 0 HH21 ARG A 74 -0.022 -15.914 -5.341 1.00 50.00 H new ATOM 0 HH22 ARG A 74 1.486 -15.469 -6.147 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.517 -21.337 -4.923 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.213 -21.395 -6.232 1.00 25.00 C ATOM 1124 C GLY A 75 -4.682 -21.754 -6.009 1.00 25.00 C ATOM 1125 O GLY A 75 -5.556 -21.337 -6.743 1.00 25.00 O ATOM 0 H GLY A 75 -1.746 -21.995 -4.814 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.135 -20.434 -6.741 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.739 -22.136 -6.876 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.961 -22.527 -4.995 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.371 -22.919 -4.719 1.00 25.00 C ATOM 1131 C LEU A 76 -7.176 -21.685 -4.317 1.00 25.00 C ATOM 1132 O LEU A 76 -8.288 -21.481 -4.764 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.405 -23.936 -3.576 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.843 -25.273 -4.059 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.857 -26.277 -2.903 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.704 -25.803 -5.207 1.00 50.00 C ATOM 0 H LEU A 76 -4.271 -22.904 -4.345 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.803 -23.361 -5.616 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.821 -23.569 -2.732 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.428 -24.067 -3.223 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.820 -25.134 -4.408 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.457 -27.231 -3.245 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.244 -25.899 -2.085 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.880 -26.417 -2.555 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.304 -26.756 -5.552 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.727 -25.944 -4.859 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.695 -25.087 -6.029 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.628 -20.865 -3.468 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.363 -19.648 -3.024 1.00 25.00 C ATOM 1150 C LEU A 77 -7.430 -18.635 -4.169 1.00 25.00 C ATOM 1151 O LEU A 77 -8.252 -17.742 -4.168 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.641 -19.020 -1.830 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.103 -20.122 -0.912 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.678 -19.509 0.423 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.194 -21.167 -0.666 1.00 50.00 C ATOM 0 H LEU A 77 -5.701 -20.984 -3.061 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.375 -19.928 -2.732 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.821 -18.392 -2.178 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.325 -18.375 -1.278 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.245 -20.599 -1.386 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.295 -20.292 1.077 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.899 -18.767 0.251 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.537 -19.031 0.894 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.808 -21.949 -0.013 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.054 -20.691 -0.194 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.499 -21.606 -1.616 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.576 -18.766 -5.147 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.604 -17.807 -6.286 1.00 25.00 C ATOM 1169 C LYS A 78 -7.722 -18.203 -7.252 1.00 25.00 C ATOM 1170 O LYS A 78 -8.284 -17.376 -7.941 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.260 -17.839 -7.016 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.171 -17.274 -6.102 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.039 -16.695 -6.953 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.219 -17.837 -7.556 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.768 -17.457 -8.925 1.00 50.00 N ATOM 0 H LYS A 78 -5.863 -19.493 -5.206 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.786 -16.800 -5.911 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.014 -18.861 -7.304 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.319 -17.255 -7.934 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.588 -16.500 -5.458 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.786 -18.058 -5.450 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.449 -16.069 -7.746 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.400 -16.057 -6.342 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.357 -18.053 -6.925 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.819 -18.746 -7.599 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.211 -18.233 -9.335 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.597 -17.272 -9.525 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.181 -16.600 -8.872 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.048 -19.466 -7.307 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.126 -19.919 -8.227 1.00 25.00 C ATOM 1191 C ASP A 79 -10.469 -19.865 -7.500 1.00 25.00 C ATOM 1192 O ASP A 79 -11.451 -19.378 -8.023 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.845 -21.357 -8.658 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.950 -21.352 -9.899 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.814 -20.302 -10.505 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.415 -22.401 -10.224 1.00 50.00 O ATOM 0 H ASP A 79 -7.613 -20.203 -6.753 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.158 -19.270 -9.102 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.359 -21.902 -7.849 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.781 -21.873 -8.873 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.514 -20.360 -6.298 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.789 -20.339 -5.530 1.00 25.00 C ATOM 1203 C VAL A 80 -12.261 -18.895 -5.391 1.00 25.00 C ATOM 1204 O VAL A 80 -13.422 -18.582 -5.561 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.550 -20.941 -4.142 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.858 -19.919 -3.234 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.890 -21.345 -3.525 1.00 50.00 C ATOM 0 H VAL A 80 -9.722 -20.780 -5.812 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.549 -20.922 -6.050 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.910 -21.818 -4.241 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.694 -20.359 -2.250 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.900 -19.635 -3.669 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.488 -19.035 -3.135 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.721 -21.774 -2.537 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.529 -20.466 -3.435 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.376 -22.083 -4.163 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.355 -18.020 -5.076 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.721 -16.585 -4.911 1.00 25.00 C ATOM 1219 C ALA A 81 -12.499 -16.105 -6.138 1.00 25.00 C ATOM 1220 O ALA A 81 -13.433 -15.334 -6.030 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.450 -15.748 -4.754 1.00 50.00 C ATOM 0 H ALA A 81 -10.370 -18.235 -4.924 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.343 -16.473 -4.023 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.718 -14.698 -4.633 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.899 -16.085 -3.876 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.826 -15.864 -5.641 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.119 -16.546 -7.302 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.833 -16.106 -8.536 1.00 25.00 C ATOM 1229 C LYS A 82 -14.243 -16.700 -8.553 1.00 25.00 C ATOM 1230 O LYS A 82 -15.153 -16.145 -9.136 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.063 -16.588 -9.767 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.634 -16.045 -9.721 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.897 -16.437 -11.003 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.469 -15.889 -10.959 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.505 -16.994 -11.224 1.00 50.00 N ATOM 0 H LYS A 82 -11.345 -17.192 -7.455 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.899 -15.018 -8.548 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.048 -17.678 -9.796 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.562 -16.251 -10.676 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.649 -14.960 -9.615 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.110 -16.443 -8.852 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.878 -17.522 -11.107 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.423 -16.042 -11.872 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.348 -15.100 -11.701 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.269 -15.443 -9.985 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.534 -16.622 -11.194 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.615 -17.732 -10.500 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.692 -17.400 -12.163 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.430 -17.823 -7.919 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.780 -18.450 -7.900 1.00 25.00 C ATOM 1251 C ILE A 83 -16.773 -17.497 -7.240 1.00 25.00 C ATOM 1252 O ILE A 83 -17.880 -17.311 -7.704 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.721 -19.756 -7.108 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.610 -20.644 -7.674 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.066 -20.477 -7.218 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.757 -22.065 -7.124 1.00 50.00 C ATOM 0 H ILE A 83 -13.706 -18.334 -7.413 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.101 -18.658 -8.921 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.512 -19.541 -6.060 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.661 -20.658 -8.763 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.634 -20.239 -7.406 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.026 -21.409 -6.654 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.854 -19.841 -6.814 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.277 -20.695 -8.265 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.965 -22.695 -7.528 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.684 -22.044 -6.037 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.727 -22.469 -7.415 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.381 -16.888 -6.158 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.294 -15.941 -5.459 1.00 25.00 C ATOM 1270 C PHE A 84 -17.047 -14.522 -5.975 1.00 25.00 C ATOM 1271 O PHE A 84 -17.239 -14.301 -7.159 1.00 25.00 O ATOM 1272 CB PHE A 84 -17.025 -15.991 -3.954 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.370 -17.363 -3.427 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.415 -18.386 -3.463 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.644 -17.611 -2.903 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.735 -19.658 -2.974 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.964 -18.884 -2.415 1.00 50.00 C ATOM 1278 CZ PHE A 84 -18.009 -19.908 -2.450 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.670 -13.679 -5.176 1.00 99.99 O ATOM 0 H PHE A 84 -15.465 -17.005 -5.725 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.329 -16.223 -5.652 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.978 -15.765 -3.753 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.618 -15.233 -3.442 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.432 -18.194 -3.868 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.380 -16.821 -2.875 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.998 -20.447 -3.001 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.947 -19.076 -2.012 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.255 -20.890 -2.073 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.277 -19.463 11.914 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.342 -25.375 14.298 1.00 13.26 CA