USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot -122:sc= 0.613 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.557 F(o=0.032,f=1.2) USER MOD Set 2.1: A 48 TYR OH : rot 33:sc= 0.33 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.313 K(o=0.64,f=0.014) USER MOD Set 3.1: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0868 (180deg=-0.437) USER MOD Single : A 4 MET CE :methyl -161:sc=-0.00421 (180deg=-0.561) USER MOD Single : A 6 LYS NZ :NH3+ 143:sc= 0.675 (180deg=-0.301) USER MOD Single : A 11 LYS NZ :NH3+ -121:sc= -0.144 (180deg=-0.577) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -14:sc= 0.131! USER MOD Single : A 20 HIS : no HD1:sc= -0.793 K(o=-0.79,f=-1.9!) USER MOD Single : A 23 SER OG : rot -160:sc= 0 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.0951 (180deg=-0.57) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 45 GLN : amide:sc= -0.447 K(o=-0.45,f=-4.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -120:sc= -0.943 (180deg=-2.57!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -87:sc= 0.272 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -173:sc= -0.277 USER MOD Single : A 82 SER OG : rot -83:sc= 0.0347 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.751 F(o=-3.2!,f=-0.75) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= -1.03 (180deg=-1.07) USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= -0.853 (180deg=-2.65!) USER MOD Single : A 100 THR OG1 : rot -75:sc= 1.01 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.826 15.063 -3.859 1.00 0.00 N ATOM 2 CA MET A 1 7.976 15.207 -4.788 1.00 0.00 C ATOM 3 C MET A 1 9.298 15.219 -4.022 1.00 0.00 C ATOM 4 O MET A 1 9.502 16.050 -3.132 1.00 0.00 O ATOM 5 CB MET A 1 7.798 16.509 -5.581 1.00 0.00 C ATOM 6 CG MET A 1 8.838 16.718 -6.673 1.00 0.00 C ATOM 7 SD MET A 1 8.600 18.263 -7.573 1.00 0.00 S ATOM 8 CE MET A 1 9.962 18.191 -8.734 1.00 0.00 C ATOM 0 H1 MET A 1 6.112 14.437 -4.284 1.00 0.00 H new ATOM 0 H2 MET A 1 7.154 14.654 -2.961 1.00 0.00 H new ATOM 0 H3 MET A 1 6.405 15.997 -3.680 1.00 0.00 H new ATOM 0 HA MET A 1 8.004 14.358 -5.471 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.806 16.514 -6.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.838 17.351 -4.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.833 16.711 -6.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.796 15.884 -7.373 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.951 19.080 -9.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.904 18.146 -8.187 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.861 17.303 -9.358 1.00 0.00 H new ATOM 20 N GLY A 2 10.189 14.291 -4.379 1.00 0.00 N ATOM 21 CA GLY A 2 11.485 14.201 -3.725 1.00 0.00 C ATOM 22 C GLY A 2 11.719 12.846 -3.067 1.00 0.00 C ATOM 23 O GLY A 2 10.809 12.015 -3.040 1.00 0.00 O ATOM 0 H GLY A 2 10.034 13.599 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.271 14.385 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.562 14.985 -2.971 1.00 0.00 H new ATOM 27 N PRO A 3 12.939 12.587 -2.520 1.00 0.00 N ATOM 28 CA PRO A 3 13.255 11.319 -1.868 1.00 0.00 C ATOM 29 C PRO A 3 12.663 11.220 -0.464 1.00 0.00 C ATOM 30 O PRO A 3 12.610 12.209 0.272 1.00 0.00 O ATOM 31 CB PRO A 3 14.788 11.289 -1.813 1.00 0.00 C ATOM 32 CG PRO A 3 15.274 12.589 -2.363 1.00 0.00 C ATOM 33 CD PRO A 3 14.093 13.501 -2.495 1.00 0.00 C ATOM 0 HA PRO A 3 12.831 10.477 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.134 11.151 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.178 10.455 -2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.023 13.027 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.751 12.439 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.032 14.198 -1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.149 14.098 -3.405 1.00 0.00 H new ATOM 41 N MET A 4 12.208 10.015 -0.116 1.00 0.00 N ATOM 42 CA MET A 4 11.595 9.744 1.187 1.00 0.00 C ATOM 43 C MET A 4 11.747 8.255 1.554 1.00 0.00 C ATOM 44 O MET A 4 12.052 7.451 0.670 1.00 0.00 O ATOM 45 CB MET A 4 10.108 10.139 1.152 1.00 0.00 C ATOM 46 CG MET A 4 9.353 9.601 -0.054 1.00 0.00 C ATOM 47 SD MET A 4 7.575 9.839 0.083 1.00 0.00 S ATOM 48 CE MET A 4 7.107 8.415 1.059 1.00 0.00 C ATOM 0 H MET A 4 12.254 9.200 -0.728 1.00 0.00 H new ATOM 0 HA MET A 4 12.102 10.337 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.625 9.778 2.060 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.031 11.226 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.714 10.097 -0.955 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.566 8.538 -0.167 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.038 8.233 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.662 7.541 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.336 8.602 2.108 1.00 0.00 H new ATOM 58 N PRO A 5 11.548 7.857 2.861 1.00 0.00 N ATOM 59 CA PRO A 5 11.676 6.449 3.299 1.00 0.00 C ATOM 60 C PRO A 5 10.985 5.453 2.366 1.00 0.00 C ATOM 61 O PRO A 5 9.933 5.744 1.791 1.00 0.00 O ATOM 62 CB PRO A 5 10.999 6.451 4.667 1.00 0.00 C ATOM 63 CG PRO A 5 11.260 7.812 5.201 1.00 0.00 C ATOM 64 CD PRO A 5 11.202 8.734 4.014 1.00 0.00 C ATOM 0 HA PRO A 5 12.718 6.129 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.930 6.255 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.414 5.681 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.516 8.089 5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.234 7.861 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.211 9.174 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.907 9.559 4.114 1.00 0.00 H new ATOM 72 N LYS A 6 11.610 4.288 2.212 1.00 0.00 N ATOM 73 CA LYS A 6 11.109 3.228 1.340 1.00 0.00 C ATOM 74 C LYS A 6 9.964 2.438 1.974 1.00 0.00 C ATOM 75 O LYS A 6 9.315 1.653 1.280 1.00 0.00 O ATOM 76 CB LYS A 6 12.248 2.262 0.997 1.00 0.00 C ATOM 77 CG LYS A 6 13.455 2.929 0.349 1.00 0.00 C ATOM 78 CD LYS A 6 14.572 1.929 0.059 1.00 0.00 C ATOM 79 CE LYS A 6 14.252 1.028 -1.130 1.00 0.00 C ATOM 80 NZ LYS A 6 14.132 1.798 -2.399 1.00 0.00 N ATOM 0 H LYS A 6 12.480 4.052 2.689 1.00 0.00 H new ATOM 0 HA LYS A 6 10.724 3.709 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.570 1.759 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.868 1.492 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.149 3.410 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.832 3.714 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.498 2.470 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.743 1.313 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.034 0.276 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.320 0.495 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.529 1.241 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.129 1.998 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.653 2.694 -2.312 1.00 0.00 H new ATOM 94 N LEU A 7 9.754 2.634 3.295 1.00 0.00 N ATOM 95 CA LEU A 7 8.712 1.932 4.089 1.00 0.00 C ATOM 96 C LEU A 7 9.139 0.489 4.402 1.00 0.00 C ATOM 97 O LEU A 7 9.055 0.049 5.551 1.00 0.00 O ATOM 98 CB LEU A 7 7.309 1.929 3.411 1.00 0.00 C ATOM 99 CG LEU A 7 6.456 3.222 3.505 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.236 3.652 4.951 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.057 4.359 2.692 1.00 0.00 C ATOM 0 H LEU A 7 10.306 3.289 3.848 1.00 0.00 H new ATOM 0 HA LEU A 7 8.617 2.499 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.448 1.696 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.730 1.114 3.844 1.00 0.00 H new ATOM 0 HG LEU A 7 5.483 2.984 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.635 4.561 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.717 2.860 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.199 3.843 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.429 5.245 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.057 4.583 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.116 4.065 1.644 1.00 0.00 H new ATOM 113 N ALA A 8 9.599 -0.233 3.374 1.00 0.00 N ATOM 114 CA ALA A 8 10.048 -1.615 3.510 1.00 0.00 C ATOM 115 C ALA A 8 11.228 -1.881 2.565 1.00 0.00 C ATOM 116 O ALA A 8 11.887 -0.937 2.123 1.00 0.00 O ATOM 117 CB ALA A 8 8.892 -2.565 3.229 1.00 0.00 C ATOM 0 H ALA A 8 9.669 0.130 2.423 1.00 0.00 H new ATOM 0 HA ALA A 8 10.389 -1.786 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.234 -3.595 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.086 -2.377 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.527 -2.404 2.215 1.00 0.00 H new ATOM 123 N ASP A 9 11.498 -3.158 2.257 1.00 0.00 N ATOM 124 CA ASP A 9 12.606 -3.512 1.367 1.00 0.00 C ATOM 125 C ASP A 9 12.123 -4.389 0.204 1.00 0.00 C ATOM 126 O ASP A 9 12.581 -4.230 -0.932 1.00 0.00 O ATOM 127 CB ASP A 9 13.708 -4.231 2.158 1.00 0.00 C ATOM 128 CG ASP A 9 15.035 -4.317 1.413 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.145 -3.760 0.297 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.975 -4.934 1.956 1.00 0.00 O ATOM 0 H ASP A 9 10.967 -3.955 2.609 1.00 0.00 H new ATOM 0 HA ASP A 9 13.013 -2.593 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.864 -3.711 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.371 -5.239 2.401 1.00 0.00 H new ATOM 135 N ARG A 10 11.198 -5.311 0.492 1.00 0.00 N ATOM 136 CA ARG A 10 10.657 -6.207 -0.536 1.00 0.00 C ATOM 137 C ARG A 10 9.136 -6.081 -0.637 1.00 0.00 C ATOM 138 O ARG A 10 8.484 -5.566 0.274 1.00 0.00 O ATOM 139 CB ARG A 10 11.025 -7.670 -0.261 1.00 0.00 C ATOM 140 CG ARG A 10 12.498 -8.009 -0.445 1.00 0.00 C ATOM 141 CD ARG A 10 13.312 -7.722 0.804 1.00 0.00 C ATOM 142 NE ARG A 10 14.685 -8.220 0.694 1.00 0.00 N ATOM 143 CZ ARG A 10 15.583 -8.183 1.684 1.00 0.00 C ATOM 144 NH1 ARG A 10 15.265 -7.689 2.878 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.806 -8.650 1.477 1.00 0.00 N ATOM 0 H ARG A 10 10.810 -5.456 1.424 1.00 0.00 H new ATOM 0 HA ARG A 10 11.105 -5.904 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.736 -7.916 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.436 -8.307 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.597 -9.062 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.900 -7.434 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.330 -6.647 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.828 -8.182 1.665 1.00 0.00 H new ATOM 0 HE ARG A 10 14.976 -8.622 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.325 -7.332 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.961 -7.668 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.058 -9.035 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.496 -8.625 2.228 1.00 0.00 H new ATOM 159 N LYS A 11 8.587 -6.555 -1.760 1.00 0.00 N ATOM 160 CA LYS A 11 7.147 -6.507 -2.013 1.00 0.00 C ATOM 161 C LYS A 11 6.622 -7.860 -2.503 1.00 0.00 C ATOM 162 O LYS A 11 7.403 -8.750 -2.847 1.00 0.00 O ATOM 163 CB LYS A 11 6.844 -5.413 -3.042 1.00 0.00 C ATOM 164 CG LYS A 11 7.681 -5.514 -4.310 1.00 0.00 C ATOM 165 CD LYS A 11 7.675 -4.207 -5.079 1.00 0.00 C ATOM 166 CE LYS A 11 8.609 -4.254 -6.280 1.00 0.00 C ATOM 167 NZ LYS A 11 8.184 -5.271 -7.280 1.00 0.00 N ATOM 0 H LYS A 11 9.126 -6.980 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 11 6.639 -6.276 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.788 -5.461 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.012 -4.439 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.706 -5.782 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.292 -6.312 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.662 -3.988 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.974 -3.394 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.641 -3.272 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.621 -4.478 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.948 -5.963 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.332 -5.759 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.975 -4.802 -8.185 1.00 0.00 H new ATOM 181 N LEU A 12 5.293 -7.998 -2.536 1.00 0.00 N ATOM 182 CA LEU A 12 4.645 -9.231 -2.987 1.00 0.00 C ATOM 183 C LEU A 12 3.833 -8.971 -4.251 1.00 0.00 C ATOM 184 O LEU A 12 3.059 -8.014 -4.309 1.00 0.00 O ATOM 185 CB LEU A 12 3.720 -9.796 -1.898 1.00 0.00 C ATOM 186 CG LEU A 12 4.373 -10.122 -0.546 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.305 -10.494 0.471 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.390 -11.250 -0.677 1.00 0.00 C ATOM 0 H LEU A 12 4.642 -7.265 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 12 5.427 -9.960 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.918 -9.078 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.257 -10.705 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 12 4.903 -9.233 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.777 -10.724 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.616 -9.659 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.755 -11.367 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.833 -11.455 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.893 -12.147 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.172 -10.955 -1.376 1.00 0.00 H new ATOM 200 N CYS A 13 4.017 -9.830 -5.253 1.00 0.00 N ATOM 201 CA CYS A 13 3.309 -9.711 -6.529 1.00 0.00 C ATOM 202 C CYS A 13 2.734 -11.058 -6.959 1.00 0.00 C ATOM 203 O CYS A 13 3.080 -12.096 -6.392 1.00 0.00 O ATOM 204 CB CYS A 13 4.255 -9.202 -7.618 1.00 0.00 C ATOM 205 SG CYS A 13 4.932 -7.536 -7.333 1.00 0.00 S ATOM 0 H CYS A 13 4.656 -10.623 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 13 2.493 -9.001 -6.392 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.084 -9.903 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.724 -9.204 -8.570 1.00 0.00 H new ATOM 210 N ALA A 14 1.872 -11.029 -7.981 1.00 0.00 N ATOM 211 CA ALA A 14 1.261 -12.247 -8.513 1.00 0.00 C ATOM 212 C ALA A 14 2.268 -13.008 -9.366 1.00 0.00 C ATOM 213 O ALA A 14 2.314 -14.240 -9.343 1.00 0.00 O ATOM 214 CB ALA A 14 0.017 -11.912 -9.319 1.00 0.00 C ATOM 0 H ALA A 14 1.583 -10.173 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 14 0.962 -12.882 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.424 -12.831 -9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.705 -11.405 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.286 -11.260 -10.150 1.00 0.00 H new ATOM 220 N ASP A 15 3.083 -12.250 -10.096 1.00 0.00 N ATOM 221 CA ASP A 15 4.127 -12.810 -10.947 1.00 0.00 C ATOM 222 C ASP A 15 5.391 -11.961 -10.842 1.00 0.00 C ATOM 223 O ASP A 15 5.383 -10.914 -10.189 1.00 0.00 O ATOM 224 CB ASP A 15 3.658 -12.922 -12.406 1.00 0.00 C ATOM 225 CG ASP A 15 2.957 -11.676 -12.911 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.558 -10.585 -12.861 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.804 -11.797 -13.369 1.00 0.00 O ATOM 0 H ASP A 15 3.037 -11.231 -10.113 1.00 0.00 H new ATOM 0 HA ASP A 15 4.351 -13.819 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.519 -13.128 -13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.983 -13.772 -12.498 1.00 0.00 H new ATOM 232 N GLN A 16 6.473 -12.421 -11.471 1.00 0.00 N ATOM 233 CA GLN A 16 7.755 -11.710 -11.431 1.00 0.00 C ATOM 234 C GLN A 16 7.703 -10.370 -12.180 1.00 0.00 C ATOM 235 O GLN A 16 8.636 -9.568 -12.084 1.00 0.00 O ATOM 236 CB GLN A 16 8.866 -12.588 -12.010 1.00 0.00 C ATOM 237 CG GLN A 16 8.996 -13.946 -11.336 1.00 0.00 C ATOM 238 CD GLN A 16 10.104 -14.794 -11.934 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.075 -15.127 -13.120 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.088 -15.148 -11.116 1.00 0.00 N ATOM 0 H GLN A 16 6.489 -13.284 -12.015 1.00 0.00 H new ATOM 0 HA GLN A 16 7.968 -11.492 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.680 -12.738 -13.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.815 -12.059 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.188 -13.802 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.050 -14.481 -11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.072 -14.850 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.860 -15.718 -11.463 1.00 0.00 H new ATOM 249 N GLU A 17 6.613 -10.131 -12.917 1.00 0.00 N ATOM 250 CA GLU A 17 6.446 -8.887 -13.673 1.00 0.00 C ATOM 251 C GLU A 17 5.723 -7.827 -12.851 1.00 0.00 C ATOM 252 O GLU A 17 5.805 -6.636 -13.172 1.00 0.00 O ATOM 253 CB GLU A 17 5.643 -9.132 -14.958 1.00 0.00 C ATOM 254 CG GLU A 17 6.230 -10.194 -15.872 1.00 0.00 C ATOM 255 CD GLU A 17 5.466 -10.357 -17.178 1.00 0.00 C ATOM 256 OE1 GLU A 17 4.462 -9.638 -17.386 1.00 0.00 O ATOM 257 OE2 GLU A 17 5.874 -11.208 -17.997 1.00 0.00 O ATOM 0 H GLU A 17 5.834 -10.783 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 17 7.447 -8.533 -13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.628 -9.423 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.569 -8.195 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.266 -9.939 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.243 -11.149 -15.346 1.00 0.00 H new ATOM 264 N CYS A 18 4.980 -8.273 -11.817 1.00 0.00 N ATOM 265 CA CYS A 18 4.183 -7.378 -10.959 1.00 0.00 C ATOM 266 C CYS A 18 3.179 -6.598 -11.814 1.00 0.00 C ATOM 267 O CYS A 18 2.837 -5.447 -11.525 1.00 0.00 O ATOM 268 CB CYS A 18 5.080 -6.421 -10.153 1.00 0.00 C ATOM 269 SG CYS A 18 6.149 -7.249 -8.933 1.00 0.00 S ATOM 0 H CYS A 18 4.917 -9.257 -11.556 1.00 0.00 H new ATOM 0 HA CYS A 18 3.637 -7.989 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.706 -5.858 -10.845 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.449 -5.699 -9.635 1.00 0.00 H new ATOM 274 N SER A 19 2.732 -7.255 -12.889 1.00 0.00 N ATOM 275 CA SER A 19 1.790 -6.678 -13.840 1.00 0.00 C ATOM 276 C SER A 19 0.358 -7.166 -13.592 1.00 0.00 C ATOM 277 O SER A 19 -0.600 -6.596 -14.123 1.00 0.00 O ATOM 278 CB SER A 19 2.248 -7.021 -15.258 1.00 0.00 C ATOM 279 OG SER A 19 1.263 -6.693 -16.223 1.00 0.00 O ATOM 0 H SER A 19 3.018 -8.206 -13.121 1.00 0.00 H new ATOM 0 HA SER A 19 1.777 -5.596 -13.710 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.170 -6.484 -15.482 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.476 -8.085 -15.319 1.00 0.00 H new ATOM 0 HG SER A 19 0.411 -6.516 -15.773 1.00 0.00 H new ATOM 285 N HIS A 20 0.222 -8.215 -12.779 1.00 0.00 N ATOM 286 CA HIS A 20 -1.089 -8.785 -12.453 1.00 0.00 C ATOM 287 C HIS A 20 -1.613 -8.282 -11.098 1.00 0.00 C ATOM 288 O HIS A 20 -0.819 -7.933 -10.222 1.00 0.00 O ATOM 289 CB HIS A 20 -1.006 -10.315 -12.424 1.00 0.00 C ATOM 290 CG HIS A 20 -1.299 -11.004 -13.727 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.403 -12.371 -13.818 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.534 -10.529 -14.976 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.695 -12.713 -15.054 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.778 -11.615 -15.782 1.00 0.00 N ATOM 0 H HIS A 20 1.006 -8.690 -12.332 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.784 -8.462 -13.228 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.006 -10.601 -12.099 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.703 -10.685 -11.673 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.530 -9.493 -15.280 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.842 -13.721 -15.412 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.989 -11.579 -16.779 1.00 0.00 H new ATOM 303 N PRO A 21 -2.967 -8.248 -10.895 1.00 0.00 N ATOM 304 CA PRO A 21 -3.570 -7.804 -9.645 1.00 0.00 C ATOM 305 C PRO A 21 -3.827 -8.970 -8.685 1.00 0.00 C ATOM 306 O PRO A 21 -4.397 -9.996 -9.074 1.00 0.00 O ATOM 307 CB PRO A 21 -4.892 -7.181 -10.109 1.00 0.00 C ATOM 308 CG PRO A 21 -5.219 -7.829 -11.426 1.00 0.00 C ATOM 309 CD PRO A 21 -4.020 -8.648 -11.850 1.00 0.00 C ATOM 0 HA PRO A 21 -2.930 -7.118 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.683 -7.358 -9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.796 -6.101 -10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.100 -8.463 -11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.450 -7.073 -12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.226 -9.717 -11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.731 -8.432 -12.878 1.00 0.00 H new ATOM 317 N ILE A 22 -3.398 -8.815 -7.435 1.00 0.00 N ATOM 318 CA ILE A 22 -3.577 -9.863 -6.434 1.00 0.00 C ATOM 319 C ILE A 22 -5.033 -9.948 -5.981 1.00 0.00 C ATOM 320 O ILE A 22 -5.675 -10.978 -6.164 1.00 0.00 O ATOM 321 CB ILE A 22 -2.663 -9.652 -5.200 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.196 -9.522 -5.644 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.829 -10.815 -4.212 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.258 -9.027 -4.559 1.00 0.00 C ATOM 0 H ILE A 22 -2.926 -7.978 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.294 -10.801 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.955 -8.730 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.847 -10.493 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.144 -8.839 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.182 -10.655 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.867 -10.867 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.557 -11.750 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.756 -8.964 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.578 -8.041 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.276 -9.720 -3.718 1.00 0.00 H new ATOM 336 N SER A 23 -5.538 -8.873 -5.378 1.00 0.00 N ATOM 337 CA SER A 23 -6.914 -8.850 -4.886 1.00 0.00 C ATOM 338 C SER A 23 -7.592 -7.511 -5.154 1.00 0.00 C ATOM 339 O SER A 23 -6.943 -6.460 -5.157 1.00 0.00 O ATOM 340 CB SER A 23 -6.930 -9.154 -3.386 1.00 0.00 C ATOM 341 OG SER A 23 -6.057 -8.284 -2.686 1.00 0.00 O ATOM 0 H SER A 23 -5.018 -8.010 -5.219 1.00 0.00 H new ATOM 0 HA SER A 23 -7.474 -9.615 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.944 -9.047 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.632 -10.189 -3.217 1.00 0.00 H new ATOM 0 HG SER A 23 -5.834 -8.675 -1.816 1.00 0.00 H new ATOM 347 N MET A 24 -8.908 -7.567 -5.359 1.00 0.00 N ATOM 348 CA MET A 24 -9.715 -6.380 -5.609 1.00 0.00 C ATOM 349 C MET A 24 -10.388 -5.956 -4.309 1.00 0.00 C ATOM 350 O MET A 24 -11.144 -6.730 -3.716 1.00 0.00 O ATOM 351 CB MET A 24 -10.749 -6.672 -6.698 1.00 0.00 C ATOM 352 CG MET A 24 -11.463 -5.435 -7.221 1.00 0.00 C ATOM 353 SD MET A 24 -12.965 -5.029 -6.301 1.00 0.00 S ATOM 354 CE MET A 24 -14.029 -6.399 -6.749 1.00 0.00 C ATOM 0 H MET A 24 -9.441 -8.437 -5.356 1.00 0.00 H new ATOM 0 HA MET A 24 -9.083 -5.564 -5.960 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.254 -7.172 -7.530 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.490 -7.367 -6.304 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.780 -4.586 -7.180 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.718 -5.588 -8.269 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.072 -6.103 -6.634 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.844 -6.680 -7.786 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.820 -7.249 -6.100 1.00 0.00 H new ATOM 364 N ALA A 25 -10.086 -4.741 -3.854 1.00 0.00 N ATOM 365 CA ALA A 25 -10.641 -4.240 -2.602 1.00 0.00 C ATOM 366 C ALA A 25 -11.453 -2.968 -2.785 1.00 0.00 C ATOM 367 O ALA A 25 -11.171 -2.153 -3.665 1.00 0.00 O ATOM 368 CB ALA A 25 -9.526 -3.982 -1.608 1.00 0.00 C ATOM 0 H ALA A 25 -9.463 -4.090 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.316 -5.009 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.949 -3.608 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.988 -4.910 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.838 -3.242 -2.017 1.00 0.00 H new ATOM 374 N VAL A 26 -12.447 -2.808 -1.914 1.00 0.00 N ATOM 375 CA VAL A 26 -13.311 -1.627 -1.926 1.00 0.00 C ATOM 376 C VAL A 26 -12.855 -0.644 -0.840 1.00 0.00 C ATOM 377 O VAL A 26 -12.577 -1.056 0.292 1.00 0.00 O ATOM 378 CB VAL A 26 -14.797 -2.010 -1.699 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.705 -0.790 -1.817 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.230 -3.087 -2.683 1.00 0.00 C ATOM 0 H VAL A 26 -12.676 -3.485 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.231 -1.157 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.888 -2.404 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.740 -1.090 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.419 -0.050 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.606 -0.358 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.275 -3.342 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.113 -2.717 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.612 -3.975 -2.546 1.00 0.00 H new ATOM 390 N ALA A 27 -12.773 0.646 -1.191 1.00 0.00 N ATOM 391 CA ALA A 27 -12.344 1.682 -0.246 1.00 0.00 C ATOM 392 C ALA A 27 -13.418 1.958 0.800 1.00 0.00 C ATOM 393 O ALA A 27 -14.598 2.114 0.469 1.00 0.00 O ATOM 394 CB ALA A 27 -11.981 2.962 -0.977 1.00 0.00 C ATOM 0 H ALA A 27 -12.998 0.996 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.458 1.310 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.666 3.716 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.167 2.764 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.849 3.326 -1.526 1.00 0.00 H new ATOM 400 N LEU A 28 -12.991 2.000 2.062 1.00 0.00 N ATOM 401 CA LEU A 28 -13.892 2.234 3.188 1.00 0.00 C ATOM 402 C LEU A 28 -13.968 3.709 3.588 1.00 0.00 C ATOM 403 O LEU A 28 -14.963 4.133 4.181 1.00 0.00 O ATOM 404 CB LEU A 28 -13.446 1.394 4.391 1.00 0.00 C ATOM 405 CG LEU A 28 -13.625 -0.126 4.253 1.00 0.00 C ATOM 406 CD1 LEU A 28 -12.893 -0.846 5.375 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.102 -0.506 4.247 1.00 0.00 C ATOM 0 H LEU A 28 -12.015 1.873 2.331 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.890 1.936 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.393 1.600 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.001 1.727 5.268 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.196 -0.435 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.028 -1.922 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.831 -0.607 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.295 -0.526 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.199 -1.587 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.564 -0.184 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.600 -0.019 3.408 1.00 0.00 H new ATOM 419 N GLN A 29 -12.922 4.485 3.279 1.00 0.00 N ATOM 420 CA GLN A 29 -12.902 5.910 3.633 1.00 0.00 C ATOM 421 C GLN A 29 -12.098 6.745 2.628 1.00 0.00 C ATOM 422 O GLN A 29 -11.643 6.232 1.604 1.00 0.00 O ATOM 423 CB GLN A 29 -12.345 6.101 5.055 1.00 0.00 C ATOM 424 CG GLN A 29 -10.923 5.590 5.241 1.00 0.00 C ATOM 425 CD GLN A 29 -10.364 5.921 6.611 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.870 5.455 7.632 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.318 6.738 6.638 1.00 0.00 N ATOM 0 H GLN A 29 -12.089 4.156 2.791 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.932 6.266 3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.374 7.161 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.999 5.589 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.906 4.510 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.281 6.024 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.931 7.100 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.901 7.003 7.530 1.00 0.00 H new ATOM 436 N ASP A 30 -11.943 8.041 2.938 1.00 0.00 N ATOM 437 CA ASP A 30 -11.209 8.975 2.083 1.00 0.00 C ATOM 438 C ASP A 30 -9.733 9.043 2.469 1.00 0.00 C ATOM 439 O ASP A 30 -9.373 8.839 3.631 1.00 0.00 O ATOM 440 CB ASP A 30 -11.827 10.373 2.179 1.00 0.00 C ATOM 441 CG ASP A 30 -13.267 10.413 1.704 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.505 10.156 0.505 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.157 10.701 2.531 1.00 0.00 O ATOM 0 H ASP A 30 -12.322 8.465 3.784 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.279 8.611 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.781 10.716 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.234 11.069 1.586 1.00 0.00 H new ATOM 448 N TYR A 31 -8.890 9.343 1.478 1.00 0.00 N ATOM 449 CA TYR A 31 -7.447 9.459 1.680 1.00 0.00 C ATOM 450 C TYR A 31 -6.847 10.440 0.674 1.00 0.00 C ATOM 451 O TYR A 31 -7.181 10.400 -0.511 1.00 0.00 O ATOM 452 CB TYR A 31 -6.762 8.092 1.521 1.00 0.00 C ATOM 453 CG TYR A 31 -5.372 8.032 2.131 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.193 7.961 3.509 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.240 8.049 1.325 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.928 7.910 4.062 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.972 7.999 1.871 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.821 7.930 3.240 1.00 0.00 C ATOM 459 OH TYR A 31 -1.560 7.880 3.787 1.00 0.00 O ATOM 0 H TYR A 31 -9.189 9.511 0.517 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.279 9.826 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.386 7.327 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.695 7.850 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.057 7.946 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.354 8.102 0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.807 7.855 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.104 8.014 1.229 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.892 7.902 3.071 1.00 0.00 H new ATOM 469 N MET A 32 -5.948 11.304 1.149 1.00 0.00 N ATOM 470 CA MET A 32 -5.283 12.281 0.288 1.00 0.00 C ATOM 471 C MET A 32 -3.783 12.005 0.237 1.00 0.00 C ATOM 472 O MET A 32 -3.168 11.693 1.260 1.00 0.00 O ATOM 473 CB MET A 32 -5.546 13.703 0.784 1.00 0.00 C ATOM 474 CG MET A 32 -7.011 14.109 0.719 1.00 0.00 C ATOM 475 SD MET A 32 -7.643 14.215 -0.967 1.00 0.00 S ATOM 476 CE MET A 32 -9.339 14.703 -0.664 1.00 0.00 C ATOM 0 H MET A 32 -5.664 11.346 2.128 1.00 0.00 H new ATOM 0 HA MET A 32 -5.690 12.188 -0.719 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.199 13.790 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.957 14.401 0.189 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.607 13.388 1.279 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.136 15.075 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.862 14.810 -1.614 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.834 13.942 -0.060 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.354 15.655 -0.133 1.00 0.00 H new ATOM 486 N ALA A 33 -3.209 12.097 -0.964 1.00 0.00 N ATOM 487 CA ALA A 33 -1.785 11.832 -1.163 1.00 0.00 C ATOM 488 C ALA A 33 -0.949 13.117 -1.244 1.00 0.00 C ATOM 489 O ALA A 33 -1.047 13.853 -2.231 1.00 0.00 O ATOM 490 CB ALA A 33 -1.584 11.021 -2.429 1.00 0.00 C ATOM 0 H ALA A 33 -3.711 12.354 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.441 11.272 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.521 10.827 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.117 10.074 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.969 11.578 -3.283 1.00 0.00 H new ATOM 496 N PRO A 34 -0.097 13.410 -0.221 1.00 0.00 N ATOM 497 CA PRO A 34 0.756 14.602 -0.226 1.00 0.00 C ATOM 498 C PRO A 34 1.935 14.445 -1.191 1.00 0.00 C ATOM 499 O PRO A 34 2.136 15.276 -2.080 1.00 0.00 O ATOM 500 CB PRO A 34 1.259 14.708 1.225 1.00 0.00 C ATOM 501 CG PRO A 34 0.497 13.681 1.994 1.00 0.00 C ATOM 502 CD PRO A 34 0.122 12.622 1.005 1.00 0.00 C ATOM 0 HA PRO A 34 0.217 15.489 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.332 14.523 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.086 15.706 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.104 13.266 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.390 14.116 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.913 11.883 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.774 12.081 1.307 1.00 0.00 H new ATOM 510 N ASP A 35 2.706 13.368 -1.001 1.00 0.00 N ATOM 511 CA ASP A 35 3.867 13.074 -1.839 1.00 0.00 C ATOM 512 C ASP A 35 3.472 12.181 -3.022 1.00 0.00 C ATOM 513 O ASP A 35 2.420 11.534 -2.997 1.00 0.00 O ATOM 514 CB ASP A 35 4.955 12.404 -0.995 1.00 0.00 C ATOM 515 CG ASP A 35 6.334 12.475 -1.625 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.600 11.699 -2.564 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.149 13.309 -1.175 1.00 0.00 O ATOM 0 H ASP A 35 2.541 12.681 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 35 4.257 14.009 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.987 12.878 -0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.689 11.359 -0.836 1.00 0.00 H new ATOM 522 N CYS A 36 4.333 12.154 -4.046 1.00 0.00 N ATOM 523 CA CYS A 36 4.116 11.350 -5.259 1.00 0.00 C ATOM 524 C CYS A 36 4.042 9.855 -4.944 1.00 0.00 C ATOM 525 O CYS A 36 3.435 9.082 -5.691 1.00 0.00 O ATOM 526 CB CYS A 36 5.253 11.594 -6.260 1.00 0.00 C ATOM 527 SG CYS A 36 6.907 11.156 -5.620 1.00 0.00 S ATOM 0 H CYS A 36 5.201 12.689 -4.059 1.00 0.00 H new ATOM 0 HA CYS A 36 3.163 11.659 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.059 11.016 -7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.252 12.645 -6.547 1.00 0.00 H new ATOM 532 N ARG A 37 4.688 9.462 -3.848 1.00 0.00 N ATOM 533 CA ARG A 37 4.744 8.073 -3.416 1.00 0.00 C ATOM 534 C ARG A 37 3.383 7.551 -2.937 1.00 0.00 C ATOM 535 O ARG A 37 3.107 6.358 -3.048 1.00 0.00 O ATOM 536 CB ARG A 37 5.775 7.969 -2.299 1.00 0.00 C ATOM 537 CG ARG A 37 6.566 6.676 -2.280 1.00 0.00 C ATOM 538 CD ARG A 37 5.999 5.677 -1.284 1.00 0.00 C ATOM 539 NE ARG A 37 6.827 4.475 -1.179 1.00 0.00 N ATOM 540 CZ ARG A 37 6.455 3.361 -0.545 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.274 3.279 0.062 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.275 2.325 -0.509 1.00 0.00 N ATOM 0 H ARG A 37 5.189 10.104 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 37 5.027 7.453 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.471 8.803 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.265 8.080 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.564 6.235 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.605 6.890 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.919 6.148 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.990 5.397 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 37 7.747 4.489 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.637 4.075 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.006 2.420 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.186 2.380 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.997 1.471 -0.026 1.00 0.00 H new ATOM 556 N PHE A 38 2.538 8.437 -2.399 1.00 0.00 N ATOM 557 CA PHE A 38 1.222 8.020 -1.904 1.00 0.00 C ATOM 558 C PHE A 38 0.157 8.105 -3.003 1.00 0.00 C ATOM 559 O PHE A 38 0.404 8.665 -4.075 1.00 0.00 O ATOM 560 CB PHE A 38 0.799 8.856 -0.685 1.00 0.00 C ATOM 561 CG PHE A 38 1.752 8.786 0.484 1.00 0.00 C ATOM 562 CD1 PHE A 38 1.627 7.794 1.450 1.00 0.00 C ATOM 563 CD2 PHE A 38 2.763 9.726 0.628 1.00 0.00 C ATOM 564 CE1 PHE A 38 2.490 7.742 2.528 1.00 0.00 C ATOM 565 CE2 PHE A 38 3.628 9.676 1.704 1.00 0.00 C ATOM 566 CZ PHE A 38 3.492 8.684 2.655 1.00 0.00 C ATOM 0 H PHE A 38 2.737 9.432 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 38 1.308 6.978 -1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.697 9.897 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.185 8.523 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.845 7.055 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.875 10.506 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.381 6.965 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.411 10.413 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.168 8.645 3.496 1.00 0.00 H new ATOM 576 N LEU A 39 -1.023 7.531 -2.728 1.00 0.00 N ATOM 577 CA LEU A 39 -2.137 7.519 -3.688 1.00 0.00 C ATOM 578 C LEU A 39 -3.412 8.111 -3.074 1.00 0.00 C ATOM 579 O LEU A 39 -3.753 7.807 -1.930 1.00 0.00 O ATOM 580 CB LEU A 39 -2.393 6.073 -4.150 1.00 0.00 C ATOM 581 CG LEU A 39 -3.506 5.866 -5.193 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.169 6.551 -6.512 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.734 4.382 -5.421 1.00 0.00 C ATOM 0 H LEU A 39 -1.231 7.067 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.865 8.138 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.464 5.678 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.634 5.473 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.419 6.318 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.976 6.384 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.047 7.621 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.242 6.138 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.523 4.244 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.814 3.924 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.029 3.911 -4.483 1.00 0.00 H new ATOM 595 N THR A 40 -4.116 8.947 -3.852 1.00 0.00 N ATOM 596 CA THR A 40 -5.361 9.575 -3.393 1.00 0.00 C ATOM 597 C THR A 40 -6.551 8.678 -3.732 1.00 0.00 C ATOM 598 O THR A 40 -6.768 8.332 -4.896 1.00 0.00 O ATOM 599 CB THR A 40 -5.541 10.963 -4.031 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.389 11.757 -3.834 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.717 11.744 -3.473 1.00 0.00 C ATOM 0 H THR A 40 -3.843 9.203 -4.801 1.00 0.00 H new ATOM 0 HA THR A 40 -5.307 9.703 -2.312 1.00 0.00 H new ATOM 0 HB THR A 40 -5.722 10.764 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.522 12.635 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.780 12.712 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.638 11.187 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.578 11.895 -2.402 1.00 0.00 H new ATOM 609 N ILE A 41 -7.304 8.290 -2.699 1.00 0.00 N ATOM 610 CA ILE A 41 -8.465 7.411 -2.863 1.00 0.00 C ATOM 611 C ILE A 41 -9.713 8.014 -2.207 1.00 0.00 C ATOM 612 O ILE A 41 -9.617 8.685 -1.186 1.00 0.00 O ATOM 613 CB ILE A 41 -8.182 6.011 -2.243 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.928 5.390 -2.880 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.380 5.078 -2.424 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.418 4.153 -2.171 1.00 0.00 C ATOM 0 H ILE A 41 -7.129 8.573 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.648 7.304 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.010 6.143 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.149 5.136 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.135 6.138 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.155 4.107 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.253 5.507 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.587 4.953 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.532 3.779 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.162 4.403 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.192 3.385 -2.176 1.00 0.00 H new ATOM 628 N HIS A 42 -10.881 7.746 -2.797 1.00 0.00 N ATOM 629 CA HIS A 42 -12.152 8.234 -2.263 1.00 0.00 C ATOM 630 C HIS A 42 -12.997 7.065 -1.762 1.00 0.00 C ATOM 631 O HIS A 42 -12.857 5.938 -2.244 1.00 0.00 O ATOM 632 CB HIS A 42 -12.920 9.029 -3.322 1.00 0.00 C ATOM 633 CG HIS A 42 -12.256 10.315 -3.706 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.014 11.333 -2.808 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.783 10.747 -4.899 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.422 12.336 -3.432 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.270 12.006 -4.701 1.00 0.00 N ATOM 0 H HIS A 42 -10.971 7.191 -3.648 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.939 8.900 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.039 8.411 -4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.921 9.244 -2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.805 10.203 -5.832 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.115 13.268 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.841 12.591 -5.418 1.00 0.00 H new ATOM 646 N ARG A 43 -13.859 7.347 -0.783 1.00 0.00 N ATOM 647 CA ARG A 43 -14.732 6.335 -0.181 1.00 0.00 C ATOM 648 C ARG A 43 -15.712 5.754 -1.204 1.00 0.00 C ATOM 649 O ARG A 43 -16.519 6.484 -1.787 1.00 0.00 O ATOM 650 CB ARG A 43 -15.498 6.960 0.994 1.00 0.00 C ATOM 651 CG ARG A 43 -16.326 5.967 1.799 1.00 0.00 C ATOM 652 CD ARG A 43 -17.086 6.655 2.929 1.00 0.00 C ATOM 653 NE ARG A 43 -18.052 7.649 2.441 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.198 7.357 1.810 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.573 6.095 1.614 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.981 8.339 1.386 1.00 0.00 N ATOM 0 H ARG A 43 -13.972 8.280 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.111 5.514 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.785 7.446 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.157 7.739 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.032 5.462 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.673 5.199 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.611 5.903 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.375 7.143 3.595 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.834 8.634 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.985 5.331 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.449 5.892 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.710 9.310 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.854 8.123 0.905 1.00 0.00 H new ATOM 670 N GLY A 44 -15.642 4.432 -1.399 1.00 0.00 N ATOM 671 CA GLY A 44 -16.538 3.763 -2.333 1.00 0.00 C ATOM 672 C GLY A 44 -15.906 3.443 -3.679 1.00 0.00 C ATOM 673 O GLY A 44 -16.527 2.763 -4.500 1.00 0.00 O ATOM 0 H GLY A 44 -14.981 3.816 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.892 2.837 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.413 4.393 -2.495 1.00 0.00 H new ATOM 677 N GLN A 45 -14.683 3.929 -3.918 1.00 0.00 N ATOM 678 CA GLN A 45 -14.000 3.676 -5.190 1.00 0.00 C ATOM 679 C GLN A 45 -13.367 2.288 -5.224 1.00 0.00 C ATOM 680 O GLN A 45 -13.002 1.731 -4.185 1.00 0.00 O ATOM 681 CB GLN A 45 -12.927 4.732 -5.465 1.00 0.00 C ATOM 682 CG GLN A 45 -13.489 6.108 -5.781 1.00 0.00 C ATOM 683 CD GLN A 45 -12.445 7.044 -6.363 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.412 7.306 -5.747 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.712 7.555 -7.560 1.00 0.00 N ATOM 0 H GLN A 45 -14.151 4.493 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.760 3.731 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.273 4.807 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.310 4.401 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.314 6.007 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.899 6.547 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.580 7.312 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.048 8.191 -8.003 1.00 0.00 H new ATOM 694 N VAL A 46 -13.242 1.745 -6.437 1.00 0.00 N ATOM 695 CA VAL A 46 -12.649 0.425 -6.648 1.00 0.00 C ATOM 696 C VAL A 46 -11.135 0.557 -6.797 1.00 0.00 C ATOM 697 O VAL A 46 -10.659 1.289 -7.664 1.00 0.00 O ATOM 698 CB VAL A 46 -13.221 -0.261 -7.915 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.811 -1.725 -7.970 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.737 -0.130 -7.982 1.00 0.00 C ATOM 0 H VAL A 46 -13.547 2.205 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.893 -0.190 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.801 0.249 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.224 -2.185 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.724 -1.798 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.191 -2.243 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.105 -0.622 -8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.182 -0.599 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.010 0.925 -8.007 1.00 0.00 H new ATOM 710 N VAL A 47 -10.385 -0.142 -5.940 1.00 0.00 N ATOM 711 CA VAL A 47 -8.921 -0.083 -5.977 1.00 0.00 C ATOM 712 C VAL A 47 -8.312 -1.485 -6.074 1.00 0.00 C ATOM 713 O VAL A 47 -8.573 -2.345 -5.228 1.00 0.00 O ATOM 714 CB VAL A 47 -8.344 0.638 -4.728 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.845 0.870 -4.873 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.057 1.959 -4.476 1.00 0.00 C ATOM 0 H VAL A 47 -10.765 -0.752 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.654 0.488 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.512 -0.012 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.468 1.376 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.338 -0.088 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.656 1.488 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.631 2.440 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.933 2.610 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.118 1.774 -4.311 1.00 0.00 H new ATOM 726 N TYR A 48 -7.487 -1.693 -7.105 1.00 0.00 N ATOM 727 CA TYR A 48 -6.815 -2.975 -7.320 1.00 0.00 C ATOM 728 C TYR A 48 -5.415 -2.945 -6.710 1.00 0.00 C ATOM 729 O TYR A 48 -4.635 -2.029 -6.985 1.00 0.00 O ATOM 730 CB TYR A 48 -6.703 -3.306 -8.821 1.00 0.00 C ATOM 731 CG TYR A 48 -8.002 -3.697 -9.515 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.117 -2.860 -9.523 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.097 -4.910 -10.185 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.279 -3.228 -10.171 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.257 -5.280 -10.838 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.345 -4.438 -10.827 1.00 0.00 C ATOM 737 OH TYR A 48 -11.502 -4.804 -11.475 1.00 0.00 O ATOM 0 H TYR A 48 -7.269 -0.985 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.415 -3.746 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.286 -2.439 -9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.990 -4.121 -8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.071 -1.909 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.248 -5.577 -10.196 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.135 -2.569 -10.164 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.309 -6.227 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.944 -4.005 -11.831 1.00 0.00 H new ATOM 747 N VAL A 49 -5.099 -3.950 -5.889 1.00 0.00 N ATOM 748 CA VAL A 49 -3.784 -4.037 -5.250 1.00 0.00 C ATOM 749 C VAL A 49 -2.832 -4.866 -6.110 1.00 0.00 C ATOM 750 O VAL A 49 -3.158 -5.987 -6.501 1.00 0.00 O ATOM 751 CB VAL A 49 -3.870 -4.654 -3.829 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.507 -4.645 -3.144 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.892 -3.912 -2.978 1.00 0.00 C ATOM 0 H VAL A 49 -5.734 -4.712 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.403 -3.020 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.193 -5.690 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.596 -5.083 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.799 -5.227 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.150 -3.619 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.935 -4.362 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.600 -2.865 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.873 -3.977 -3.449 1.00 0.00 H new ATOM 763 N PHE A 50 -1.661 -4.298 -6.405 1.00 0.00 N ATOM 764 CA PHE A 50 -0.657 -4.973 -7.226 1.00 0.00 C ATOM 765 C PHE A 50 0.542 -5.428 -6.397 1.00 0.00 C ATOM 766 O PHE A 50 1.151 -6.456 -6.703 1.00 0.00 O ATOM 767 CB PHE A 50 -0.178 -4.057 -8.362 1.00 0.00 C ATOM 768 CG PHE A 50 -1.159 -3.900 -9.499 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.319 -3.150 -9.352 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.915 -4.511 -10.719 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.211 -3.015 -10.398 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.805 -4.378 -11.768 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.954 -3.629 -11.607 1.00 0.00 C ATOM 0 H PHE A 50 -1.385 -3.369 -6.086 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.134 -5.857 -7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.040 -3.072 -7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.758 -4.451 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.526 -2.667 -8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.018 -5.098 -10.852 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.109 -2.429 -10.270 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.602 -4.860 -12.713 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.650 -3.524 -12.426 1.00 0.00 H new ATOM 783 N SER A 51 0.889 -4.659 -5.358 1.00 0.00 N ATOM 784 CA SER A 51 2.034 -5.000 -4.512 1.00 0.00 C ATOM 785 C SER A 51 1.746 -4.819 -3.025 1.00 0.00 C ATOM 786 O SER A 51 1.080 -3.865 -2.616 1.00 0.00 O ATOM 787 CB SER A 51 3.251 -4.157 -4.892 1.00 0.00 C ATOM 788 OG SER A 51 2.959 -2.772 -4.815 1.00 0.00 O ATOM 0 H SER A 51 0.399 -3.807 -5.087 1.00 0.00 H new ATOM 0 HA SER A 51 2.238 -6.057 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.082 -4.394 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.570 -4.409 -5.904 1.00 0.00 H new ATOM 0 HG SER A 51 3.755 -2.256 -5.061 1.00 0.00 H new ATOM 794 N LYS A 52 2.292 -5.743 -2.225 1.00 0.00 N ATOM 795 CA LYS A 52 2.147 -5.709 -0.766 1.00 0.00 C ATOM 796 C LYS A 52 3.533 -5.755 -0.124 1.00 0.00 C ATOM 797 O LYS A 52 4.220 -6.775 -0.207 1.00 0.00 O ATOM 798 CB LYS A 52 1.308 -6.893 -0.254 1.00 0.00 C ATOM 799 CG LYS A 52 0.004 -7.111 -1.006 1.00 0.00 C ATOM 800 CD LYS A 52 -0.722 -8.342 -0.516 1.00 0.00 C ATOM 801 CE LYS A 52 -2.071 -8.490 -1.195 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.960 -7.318 -0.959 1.00 0.00 N ATOM 0 H LYS A 52 2.843 -6.530 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 52 1.631 -4.788 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.907 -7.802 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.083 -6.734 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.637 -6.238 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.210 -7.210 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.115 -9.227 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.860 -8.281 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.922 -8.619 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.561 -9.393 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.827 -7.631 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.466 -6.622 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.208 -6.882 -1.870 1.00 0.00 H new ATOM 816 N LEU A 53 3.954 -4.649 0.498 1.00 0.00 N ATOM 817 CA LEU A 53 5.278 -4.585 1.126 1.00 0.00 C ATOM 818 C LEU A 53 5.362 -5.489 2.358 1.00 0.00 C ATOM 819 O LEU A 53 4.341 -5.827 2.957 1.00 0.00 O ATOM 820 CB LEU A 53 5.635 -3.137 1.497 1.00 0.00 C ATOM 821 CG LEU A 53 5.634 -2.123 0.335 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.976 -0.732 0.849 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.611 -2.529 -0.763 1.00 0.00 C ATOM 0 H LEU A 53 3.404 -3.794 0.580 1.00 0.00 H new ATOM 0 HA LEU A 53 6.003 -4.948 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.931 -2.793 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.624 -3.133 1.956 1.00 0.00 H new ATOM 0 HG LEU A 53 4.632 -2.112 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.972 -0.026 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.237 -0.426 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.965 -0.747 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.584 -1.792 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.619 -2.581 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.330 -3.505 -1.158 1.00 0.00 H new ATOM 835 N LYS A 54 6.594 -5.886 2.712 1.00 0.00 N ATOM 836 CA LYS A 54 6.848 -6.764 3.866 1.00 0.00 C ATOM 837 C LYS A 54 8.102 -6.321 4.617 1.00 0.00 C ATOM 838 O LYS A 54 9.002 -5.719 4.029 1.00 0.00 O ATOM 839 CB LYS A 54 7.038 -8.221 3.413 1.00 0.00 C ATOM 840 CG LYS A 54 5.814 -8.857 2.766 1.00 0.00 C ATOM 841 CD LYS A 54 4.917 -9.541 3.789 1.00 0.00 C ATOM 842 CE LYS A 54 5.593 -10.761 4.404 1.00 0.00 C ATOM 843 NZ LYS A 54 4.763 -11.381 5.473 1.00 0.00 N ATOM 0 H LYS A 54 7.438 -5.610 2.210 1.00 0.00 H new ATOM 0 HA LYS A 54 5.982 -6.695 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.867 -8.261 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.327 -8.820 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.244 -8.092 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.135 -9.585 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.657 -8.833 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.985 -9.843 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.789 -11.498 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.558 -10.470 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.260 -12.207 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.597 -10.687 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.851 -11.683 5.074 1.00 0.00 H new ATOM 857 N GLY A 55 8.156 -6.641 5.912 1.00 0.00 N ATOM 858 CA GLY A 55 9.310 -6.284 6.726 1.00 0.00 C ATOM 859 C GLY A 55 8.991 -5.235 7.772 1.00 0.00 C ATOM 860 O GLY A 55 8.364 -5.537 8.790 1.00 0.00 O ATOM 0 H GLY A 55 7.420 -7.141 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.691 -7.178 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.105 -5.914 6.078 1.00 0.00 H new ATOM 864 N ARG A 56 9.431 -4.003 7.519 1.00 0.00 N ATOM 865 CA ARG A 56 9.201 -2.892 8.442 1.00 0.00 C ATOM 866 C ARG A 56 7.844 -2.241 8.189 1.00 0.00 C ATOM 867 O ARG A 56 7.268 -1.624 9.090 1.00 0.00 O ATOM 868 CB ARG A 56 10.313 -1.847 8.308 1.00 0.00 C ATOM 869 CG ARG A 56 11.695 -2.379 8.657 1.00 0.00 C ATOM 870 CD ARG A 56 12.764 -1.307 8.498 1.00 0.00 C ATOM 871 NE ARG A 56 14.107 -1.798 8.834 1.00 0.00 N ATOM 872 CZ ARG A 56 14.815 -2.660 8.091 1.00 0.00 C ATOM 873 NH1 ARG A 56 14.345 -3.118 6.933 1.00 0.00 N ATOM 874 NH2 ARG A 56 16.009 -3.058 8.509 1.00 0.00 N ATOM 0 H ARG A 56 9.951 -3.748 6.679 1.00 0.00 H new ATOM 0 HA ARG A 56 9.208 -3.292 9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.325 -1.471 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.085 -1.001 8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.696 -2.745 9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.932 -3.228 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.760 -0.944 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.521 -0.458 9.137 1.00 0.00 H new ATOM 0 HE ARG A 56 14.532 -1.458 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.431 -2.813 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.899 -3.774 6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.383 -2.708 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.553 -3.714 7.948 1.00 0.00 H new ATOM 888 N GLY A 57 7.343 -2.383 6.959 1.00 0.00 N ATOM 889 CA GLY A 57 6.058 -1.806 6.600 1.00 0.00 C ATOM 890 C GLY A 57 5.156 -2.790 5.882 1.00 0.00 C ATOM 891 O GLY A 57 4.721 -2.532 4.756 1.00 0.00 O ATOM 0 H GLY A 57 7.808 -2.889 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.558 -1.452 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.220 -0.936 5.963 1.00 0.00 H new ATOM 895 N ARG A 58 4.869 -3.919 6.539 1.00 0.00 N ATOM 896 CA ARG A 58 4.005 -4.955 5.965 1.00 0.00 C ATOM 897 C ARG A 58 2.541 -4.518 5.938 1.00 0.00 C ATOM 898 O ARG A 58 1.712 -5.144 5.273 1.00 0.00 O ATOM 899 CB ARG A 58 4.154 -6.280 6.723 1.00 0.00 C ATOM 900 CG ARG A 58 3.994 -6.157 8.226 1.00 0.00 C ATOM 901 CD ARG A 58 5.214 -6.698 8.948 1.00 0.00 C ATOM 902 NE ARG A 58 5.325 -8.153 8.830 1.00 0.00 N ATOM 903 CZ ARG A 58 6.307 -8.882 9.372 1.00 0.00 C ATOM 904 NH1 ARG A 58 7.279 -8.305 10.075 1.00 0.00 N ATOM 905 NH2 ARG A 58 6.317 -10.198 9.208 1.00 0.00 N ATOM 0 H ARG A 58 5.223 -4.138 7.470 1.00 0.00 H new ATOM 0 HA ARG A 58 4.327 -5.108 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.414 -6.986 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.136 -6.701 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.842 -5.112 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.106 -6.701 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.111 -6.232 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.162 -6.423 10.002 1.00 0.00 H new ATOM 0 HE ARG A 58 4.605 -8.644 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.282 -7.294 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.021 -8.874 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.578 -10.651 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.064 -10.758 9.620 1.00 0.00 H new ATOM 919 N LEU A 59 2.238 -3.434 6.652 1.00 0.00 N ATOM 920 CA LEU A 59 0.884 -2.897 6.703 1.00 0.00 C ATOM 921 C LEU A 59 0.669 -1.871 5.587 1.00 0.00 C ATOM 922 O LEU A 59 -0.382 -1.230 5.518 1.00 0.00 O ATOM 923 CB LEU A 59 0.615 -2.253 8.072 1.00 0.00 C ATOM 924 CG LEU A 59 0.705 -3.200 9.278 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.728 -2.405 10.575 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.451 -4.195 9.282 1.00 0.00 C ATOM 0 H LEU A 59 2.917 -2.911 7.204 1.00 0.00 H new ATOM 0 HA LEU A 59 0.184 -3.720 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.326 -1.440 8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.380 -1.808 8.055 1.00 0.00 H new ATOM 0 HG LEU A 59 1.634 -3.764 9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.792 -3.090 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.593 -1.741 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.184 -1.814 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.362 -4.853 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.396 -3.654 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.422 -4.790 8.369 1.00 0.00 H new ATOM 938 N PHE A 60 1.676 -1.722 4.715 1.00 0.00 N ATOM 939 CA PHE A 60 1.602 -0.775 3.603 1.00 0.00 C ATOM 940 C PHE A 60 1.504 -1.502 2.261 1.00 0.00 C ATOM 941 O PHE A 60 2.400 -2.266 1.880 1.00 0.00 O ATOM 942 CB PHE A 60 2.812 0.172 3.605 1.00 0.00 C ATOM 943 CG PHE A 60 2.817 1.172 4.736 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.199 0.802 6.019 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.448 2.489 4.509 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.208 1.723 7.049 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.456 3.414 5.535 1.00 0.00 C ATOM 948 CZ PHE A 60 2.835 3.032 6.806 1.00 0.00 C ATOM 0 H PHE A 60 2.549 -2.247 4.762 1.00 0.00 H new ATOM 0 HA PHE A 60 0.697 -0.183 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.724 -0.423 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.838 0.712 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.493 -0.219 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.150 2.796 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.506 1.421 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.166 4.436 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.840 3.754 7.609 1.00 0.00 H new ATOM 958 N TRP A 61 0.400 -1.254 1.556 1.00 0.00 N ATOM 959 CA TRP A 61 0.146 -1.866 0.251 1.00 0.00 C ATOM 960 C TRP A 61 0.199 -0.810 -0.852 1.00 0.00 C ATOM 961 O TRP A 61 0.515 0.350 -0.583 1.00 0.00 O ATOM 962 CB TRP A 61 -1.226 -2.569 0.258 1.00 0.00 C ATOM 963 CG TRP A 61 -1.294 -3.836 1.087 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.271 -4.474 1.736 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.470 -4.609 1.364 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.733 -5.602 2.362 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.079 -5.703 2.161 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.815 -4.488 1.011 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -2.984 -6.664 2.608 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.708 -5.439 1.458 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.293 -6.515 2.247 1.00 0.00 C ATOM 0 H TRP A 61 -0.340 -0.627 1.871 1.00 0.00 H new ATOM 0 HA TRP A 61 0.920 -2.608 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.974 -1.869 0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.499 -2.810 -0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.755 -4.136 1.752 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.163 -6.260 2.893 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.150 -3.664 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.662 -7.496 3.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.751 -5.350 1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.020 -7.242 2.577 1.00 0.00 H new ATOM 982 N GLY A 62 -0.104 -1.214 -2.091 1.00 0.00 N ATOM 983 CA GLY A 62 -0.077 -0.277 -3.206 1.00 0.00 C ATOM 984 C GLY A 62 -0.710 -0.834 -4.464 1.00 0.00 C ATOM 985 O GLY A 62 -0.811 -2.050 -4.624 1.00 0.00 O ATOM 0 H GLY A 62 -0.366 -2.168 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.597 0.636 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.956 -0.002 -3.417 1.00 0.00 H new ATOM 989 N GLY A 63 -1.132 0.068 -5.356 1.00 0.00 N ATOM 990 CA GLY A 63 -1.754 -0.335 -6.608 1.00 0.00 C ATOM 991 C GLY A 63 -2.311 0.842 -7.391 1.00 0.00 C ATOM 992 O GLY A 63 -1.774 1.953 -7.322 1.00 0.00 O ATOM 0 H GLY A 63 -1.052 1.077 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.021 -0.860 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.558 -1.040 -6.399 1.00 0.00 H new ATOM 996 N SER A 64 -3.392 0.590 -8.137 1.00 0.00 N ATOM 997 CA SER A 64 -4.044 1.622 -8.946 1.00 0.00 C ATOM 998 C SER A 64 -5.542 1.669 -8.650 1.00 0.00 C ATOM 999 O SER A 64 -6.085 0.739 -8.055 1.00 0.00 O ATOM 1000 CB SER A 64 -3.809 1.356 -10.435 1.00 0.00 C ATOM 1001 OG SER A 64 -4.371 0.116 -10.829 1.00 0.00 O ATOM 0 H SER A 64 -3.835 -0.327 -8.196 1.00 0.00 H new ATOM 0 HA SER A 64 -3.609 2.588 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.248 2.161 -11.025 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.739 1.356 -10.643 1.00 0.00 H new ATOM 0 HG SER A 64 -3.724 -0.602 -10.668 1.00 0.00 H new ATOM 1007 N VAL A 65 -6.202 2.757 -9.059 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.640 2.923 -8.822 1.00 0.00 C ATOM 1009 C VAL A 65 -8.436 2.880 -10.130 1.00 0.00 C ATOM 1010 O VAL A 65 -8.223 3.701 -11.026 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.941 4.258 -8.085 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -9.433 4.411 -7.803 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.149 4.347 -6.790 1.00 0.00 C ATOM 0 H VAL A 65 -5.765 3.534 -9.555 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.950 2.089 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.634 5.074 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.611 5.354 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.984 4.402 -8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.771 3.585 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.374 5.289 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.421 3.516 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.083 4.300 -7.012 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.369 1.927 -10.214 1.00 0.00 N ATOM 1024 CA GLN A 66 -10.227 1.779 -11.389 1.00 0.00 C ATOM 1025 C GLN A 66 -11.529 2.556 -11.188 1.00 0.00 C ATOM 1026 O GLN A 66 -12.106 2.538 -10.097 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.535 0.297 -11.648 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.378 0.053 -12.897 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.695 -1.411 -13.124 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.406 -2.035 -12.338 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.167 -1.969 -14.208 1.00 0.00 N ATOM 0 H GLN A 66 -9.548 1.244 -9.478 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.701 2.181 -12.255 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.596 -0.249 -11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.057 -0.113 -10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.310 0.612 -12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.849 0.443 -13.767 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.583 -1.415 -14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.346 -2.952 -14.414 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.987 3.227 -12.246 1.00 0.00 N ATOM 1041 CA GLY A 67 -13.220 3.995 -12.171 1.00 0.00 C ATOM 1042 C GLY A 67 -13.174 5.256 -13.009 1.00 0.00 C ATOM 1043 O GLY A 67 -14.100 5.531 -13.776 1.00 0.00 O ATOM 0 H GLY A 67 -11.524 3.252 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.052 3.373 -12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.415 4.261 -11.132 1.00 0.00 H new ATOM 1047 N ASP A 68 -12.094 6.022 -12.859 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.919 7.268 -13.603 1.00 0.00 C ATOM 1049 C ASP A 68 -10.729 7.172 -14.552 1.00 0.00 C ATOM 1050 O ASP A 68 -9.646 6.734 -14.159 1.00 0.00 O ATOM 1051 CB ASP A 68 -11.725 8.446 -12.642 1.00 0.00 C ATOM 1052 CG ASP A 68 -12.941 8.703 -11.770 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -13.291 7.822 -10.955 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -13.545 9.789 -11.901 1.00 0.00 O ATOM 0 H ASP A 68 -11.325 5.800 -12.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.821 7.436 -14.192 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.862 8.251 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.500 9.344 -13.217 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.943 7.588 -15.802 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.894 7.557 -16.818 1.00 0.00 C ATOM 1061 C TYR A 69 -9.929 8.839 -17.658 1.00 0.00 C ATOM 1062 O TYR A 69 -10.419 8.848 -18.793 1.00 0.00 O ATOM 1063 CB TYR A 69 -10.052 6.305 -17.704 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.865 6.012 -18.611 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -7.594 5.779 -18.090 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -9.022 5.966 -19.991 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -6.520 5.511 -18.918 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.951 5.699 -20.825 1.00 0.00 C ATOM 1069 CZ TYR A 69 -6.704 5.472 -20.284 1.00 0.00 C ATOM 1070 OH TYR A 69 -5.638 5.206 -21.111 1.00 0.00 O ATOM 0 H TYR A 69 -11.837 7.951 -16.134 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.923 7.505 -16.326 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.222 5.441 -17.061 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.943 6.424 -18.321 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.445 5.808 -17.021 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.997 6.142 -20.420 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.541 5.333 -18.497 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.092 5.669 -21.895 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.938 5.214 -22.044 1.00 0.00 H new ATOM 1080 N TYR A 70 -9.408 9.923 -17.079 1.00 0.00 N ATOM 1081 CA TYR A 70 -9.366 11.223 -17.751 1.00 0.00 C ATOM 1082 C TYR A 70 -7.930 11.722 -17.876 1.00 0.00 C ATOM 1083 O TYR A 70 -7.649 12.655 -18.634 1.00 0.00 O ATOM 1084 CB TYR A 70 -10.213 12.262 -16.997 1.00 0.00 C ATOM 1085 CG TYR A 70 -11.711 12.007 -17.028 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -12.304 11.065 -16.190 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -12.535 12.727 -17.886 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -13.669 10.846 -16.214 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -13.900 12.514 -17.913 1.00 0.00 C ATOM 1090 CZ TYR A 70 -14.461 11.572 -17.076 1.00 0.00 C ATOM 1091 OH TYR A 70 -15.820 11.358 -17.102 1.00 0.00 O ATOM 0 H TYR A 70 -9.007 9.925 -16.141 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.783 11.091 -18.749 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.885 12.292 -15.958 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.017 13.247 -17.422 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.687 10.496 -15.510 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.100 13.466 -18.543 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.112 10.109 -15.560 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.525 13.082 -18.586 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.232 11.952 -17.764 1.00 0.00 H new ATOM 1101 N GLY A 71 -7.030 11.088 -17.126 1.00 0.00 N ATOM 1102 CA GLY A 71 -5.626 11.460 -17.147 1.00 0.00 C ATOM 1103 C GLY A 71 -4.766 10.492 -16.359 1.00 0.00 C ATOM 1104 O GLY A 71 -4.639 10.629 -15.140 1.00 0.00 O ATOM 0 H GLY A 71 -7.253 10.315 -16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.277 11.497 -18.179 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.511 12.463 -16.736 1.00 0.00 H new ATOM 1108 N ASP A 72 -4.187 9.511 -17.072 1.00 0.00 N ATOM 1109 CA ASP A 72 -3.324 8.473 -16.483 1.00 0.00 C ATOM 1110 C ASP A 72 -4.082 7.627 -15.447 1.00 0.00 C ATOM 1111 O ASP A 72 -4.684 6.616 -15.814 1.00 0.00 O ATOM 1112 CB ASP A 72 -2.042 9.081 -15.883 1.00 0.00 C ATOM 1113 CG ASP A 72 -1.145 9.712 -16.933 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -1.580 10.686 -17.584 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -0.005 9.231 -17.105 1.00 0.00 O ATOM 0 H ASP A 72 -4.306 9.415 -18.081 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.024 7.805 -17.290 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.314 9.834 -15.143 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.488 8.303 -15.357 1.00 0.00 H new ATOM 1120 N LEU A 73 -4.049 8.055 -14.165 1.00 0.00 N ATOM 1121 CA LEU A 73 -4.725 7.368 -13.046 1.00 0.00 C ATOM 1122 C LEU A 73 -4.176 5.948 -12.822 1.00 0.00 C ATOM 1123 O LEU A 73 -3.362 5.737 -11.921 1.00 0.00 O ATOM 1124 CB LEU A 73 -6.261 7.342 -13.247 1.00 0.00 C ATOM 1125 CG LEU A 73 -7.123 7.824 -12.056 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.936 6.928 -10.836 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.819 9.278 -11.707 1.00 0.00 C ATOM 0 H LEU A 73 -3.547 8.895 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.510 7.944 -12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.502 7.958 -14.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.556 6.321 -13.490 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.167 7.760 -12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.555 7.294 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.230 5.908 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.889 6.940 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.440 9.588 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.768 9.375 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.032 9.911 -12.568 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.626 4.981 -13.634 1.00 0.00 N ATOM 1140 CA ALA A 74 -4.178 3.594 -13.512 1.00 0.00 C ATOM 1141 C ALA A 74 -2.783 3.396 -14.101 1.00 0.00 C ATOM 1142 O ALA A 74 -2.141 2.371 -13.851 1.00 0.00 O ATOM 1143 CB ALA A 74 -5.170 2.656 -14.182 1.00 0.00 C ATOM 0 H ALA A 74 -5.301 5.138 -14.382 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.125 3.358 -12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.823 1.628 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.145 2.757 -13.706 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.254 2.910 -15.239 1.00 0.00 H new ATOM 1149 N ALA A 75 -2.317 4.381 -14.878 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.993 4.321 -15.498 1.00 0.00 C ATOM 1151 C ALA A 75 0.104 4.414 -14.442 1.00 0.00 C ATOM 1152 O ALA A 75 1.145 3.762 -14.556 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.836 5.432 -16.524 1.00 0.00 C ATOM 0 H ALA A 75 -2.841 5.230 -15.091 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.898 3.361 -16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.154 5.373 -16.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.595 5.322 -17.298 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.954 6.399 -16.035 1.00 0.00 H new ATOM 1159 N ARG A 76 -0.152 5.217 -13.408 1.00 0.00 N ATOM 1160 CA ARG A 76 0.795 5.395 -12.311 1.00 0.00 C ATOM 1161 C ARG A 76 0.413 4.500 -11.132 1.00 0.00 C ATOM 1162 O ARG A 76 -0.757 4.143 -10.970 1.00 0.00 O ATOM 1163 CB ARG A 76 0.852 6.866 -11.872 1.00 0.00 C ATOM 1164 CG ARG A 76 -0.483 7.432 -11.404 1.00 0.00 C ATOM 1165 CD ARG A 76 -0.349 8.872 -10.935 1.00 0.00 C ATOM 1166 NE ARG A 76 0.546 8.998 -9.782 1.00 0.00 N ATOM 1167 CZ ARG A 76 0.839 10.153 -9.177 1.00 0.00 C ATOM 1168 NH1 ARG A 76 0.315 11.300 -9.602 1.00 0.00 N ATOM 1169 NH2 ARG A 76 1.663 10.160 -8.138 1.00 0.00 N ATOM 0 H ARG A 76 -1.012 5.756 -13.309 1.00 0.00 H new ATOM 0 HA ARG A 76 1.786 5.107 -12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.578 6.964 -11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.217 7.468 -12.704 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.206 7.380 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.873 6.819 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.028 9.485 -11.754 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.333 9.260 -10.673 1.00 0.00 H new ATOM 0 HE ARG A 76 0.974 8.147 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.320 11.306 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.548 12.173 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.070 9.286 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.890 11.039 -7.673 1.00 0.00 H new ATOM 1183 N LEU A 77 1.404 4.143 -10.320 1.00 0.00 N ATOM 1184 CA LEU A 77 1.176 3.289 -9.157 1.00 0.00 C ATOM 1185 C LEU A 77 1.528 4.018 -7.866 1.00 0.00 C ATOM 1186 O LEU A 77 2.655 4.491 -7.694 1.00 0.00 O ATOM 1187 CB LEU A 77 1.986 1.992 -9.279 1.00 0.00 C ATOM 1188 CG LEU A 77 1.521 1.032 -10.384 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.572 -0.036 -10.638 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.194 0.382 -10.012 1.00 0.00 C ATOM 0 H LEU A 77 2.374 4.432 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 77 0.116 3.037 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.030 2.250 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.948 1.467 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 77 1.379 1.610 -11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.226 -0.707 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.504 0.437 -10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.741 -0.605 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.116 -0.294 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.311 -0.179 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.564 1.154 -9.875 1.00 0.00 H new ATOM 1202 N GLY A 78 0.550 4.099 -6.963 1.00 0.00 N ATOM 1203 CA GLY A 78 0.753 4.766 -5.688 1.00 0.00 C ATOM 1204 C GLY A 78 0.656 3.799 -4.527 1.00 0.00 C ATOM 1205 O GLY A 78 0.352 2.624 -4.728 1.00 0.00 O ATOM 0 H GLY A 78 -0.384 3.711 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.731 5.246 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.010 5.554 -5.568 1.00 0.00 H new ATOM 1209 N TYR A 79 0.928 4.285 -3.314 1.00 0.00 N ATOM 1210 CA TYR A 79 0.877 3.435 -2.123 1.00 0.00 C ATOM 1211 C TYR A 79 -0.096 3.989 -1.088 1.00 0.00 C ATOM 1212 O TYR A 79 -0.261 5.205 -0.955 1.00 0.00 O ATOM 1213 CB TYR A 79 2.286 3.253 -1.540 1.00 0.00 C ATOM 1214 CG TYR A 79 3.240 2.601 -2.526 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.221 1.230 -2.749 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.131 3.368 -3.258 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.069 0.647 -3.671 1.00 0.00 C ATOM 1218 CE2 TYR A 79 4.976 2.800 -4.180 1.00 0.00 C ATOM 1219 CZ TYR A 79 4.942 1.436 -4.387 1.00 0.00 C ATOM 1220 OH TYR A 79 5.782 0.861 -5.312 1.00 0.00 O ATOM 0 H TYR A 79 1.184 5.255 -3.131 1.00 0.00 H new ATOM 0 HA TYR A 79 0.503 2.453 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.682 4.224 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.227 2.644 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.533 0.610 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.162 4.436 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.047 -0.421 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.663 3.417 -4.740 1.00 0.00 H new ATOM 0 HH TYR A 79 6.408 1.535 -5.649 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.767 3.071 -0.389 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.770 3.420 0.615 1.00 0.00 C ATOM 1232 C PHE A 80 -1.794 2.390 1.761 1.00 0.00 C ATOM 1233 O PHE A 80 -1.396 1.240 1.554 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.156 3.500 -0.068 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.546 2.263 -0.855 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.167 1.185 -0.235 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.281 2.180 -2.216 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.512 0.057 -0.955 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.627 1.055 -2.937 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.242 -0.008 -2.307 1.00 0.00 C ATOM 0 H PHE A 80 -0.630 2.067 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.516 4.387 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.912 3.682 0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.167 4.359 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.383 1.229 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.798 3.006 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.993 -0.774 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.416 1.006 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.511 -0.889 -2.871 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.270 2.767 2.986 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.341 1.834 4.119 1.00 0.00 C ATOM 1252 C PRO A 81 -3.434 0.787 3.912 1.00 0.00 C ATOM 1253 O PRO A 81 -4.516 1.103 3.422 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.678 2.726 5.326 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.518 4.132 4.847 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.778 4.098 3.372 1.00 0.00 C ATOM 0 HA PRO A 81 -1.412 1.279 4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.695 2.545 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.012 2.520 6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.218 4.798 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.516 4.504 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.838 4.209 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.255 4.899 2.850 1.00 0.00 H new ATOM 1264 N SER A 82 -3.139 -0.458 4.280 1.00 0.00 N ATOM 1265 CA SER A 82 -4.088 -1.567 4.130 1.00 0.00 C ATOM 1266 C SER A 82 -5.348 -1.358 4.982 1.00 0.00 C ATOM 1267 O SER A 82 -6.399 -1.946 4.709 1.00 0.00 O ATOM 1268 CB SER A 82 -3.401 -2.882 4.517 1.00 0.00 C ATOM 1269 OG SER A 82 -3.101 -2.914 5.902 1.00 0.00 O ATOM 0 H SER A 82 -2.244 -0.729 4.688 1.00 0.00 H new ATOM 0 HA SER A 82 -4.402 -1.606 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.047 -3.722 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.484 -3.000 3.940 1.00 0.00 H new ATOM 0 HG SER A 82 -2.260 -2.438 6.066 1.00 0.00 H new ATOM 1275 N SER A 83 -5.222 -0.523 6.017 1.00 0.00 N ATOM 1276 CA SER A 83 -6.321 -0.229 6.938 1.00 0.00 C ATOM 1277 C SER A 83 -7.491 0.516 6.281 1.00 0.00 C ATOM 1278 O SER A 83 -8.606 0.484 6.810 1.00 0.00 O ATOM 1279 CB SER A 83 -5.800 0.585 8.124 1.00 0.00 C ATOM 1280 OG SER A 83 -5.229 1.808 7.693 1.00 0.00 O ATOM 0 H SER A 83 -4.356 -0.033 6.239 1.00 0.00 H new ATOM 0 HA SER A 83 -6.709 -1.192 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.617 0.786 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.055 0.004 8.668 1.00 0.00 H new ATOM 0 HG SER A 83 -4.905 2.310 8.470 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.255 1.194 5.147 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.337 1.936 4.485 1.00 0.00 C ATOM 1288 C ILE A 84 -9.075 1.103 3.438 1.00 0.00 C ATOM 1289 O ILE A 84 -10.025 1.592 2.821 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.863 3.254 3.832 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.821 2.998 2.740 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.320 4.200 4.893 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.638 4.170 1.808 1.00 0.00 C ATOM 0 H ILE A 84 -6.350 1.244 4.680 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.026 2.179 5.294 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.723 3.723 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.865 2.761 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.118 2.124 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.989 5.125 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.103 4.422 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.478 3.731 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.887 3.924 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.584 4.394 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.311 5.040 2.377 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.647 -0.147 3.225 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.304 -0.999 2.230 1.00 0.00 C ATOM 1307 C VAL A 85 -9.774 -2.325 2.819 1.00 0.00 C ATOM 1308 O VAL A 85 -9.219 -2.818 3.805 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.398 -1.278 1.003 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.125 0.005 0.232 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.088 -1.943 1.417 1.00 0.00 C ATOM 0 H VAL A 85 -7.866 -0.583 3.716 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.177 -0.435 1.900 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.931 -1.969 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.488 -0.214 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.067 0.428 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.624 0.721 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.477 -2.125 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.549 -1.289 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.301 -2.891 1.911 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.803 -2.892 2.189 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.373 -4.166 2.610 1.00 0.00 C ATOM 1323 C ARG A 86 -11.382 -5.141 1.433 1.00 0.00 C ATOM 1324 O ARG A 86 -12.047 -4.898 0.421 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.793 -3.957 3.149 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.415 -5.208 3.753 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.814 -4.933 4.285 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.434 -6.122 4.883 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.871 -7.186 4.194 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.802 -7.221 2.866 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.391 -8.218 4.844 1.00 0.00 N ATOM 0 H ARG A 86 -11.261 -2.481 1.376 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.762 -4.586 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.772 -3.172 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.430 -3.602 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.459 -5.994 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.783 -5.576 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.766 -4.139 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.443 -4.570 3.472 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.540 -6.140 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.412 -6.430 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.140 -8.039 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.457 -8.199 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.725 -9.031 4.326 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.630 -6.233 1.573 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.531 -7.248 0.527 1.00 0.00 C ATOM 1347 C GLU A 87 -11.747 -8.164 0.525 1.00 0.00 C ATOM 1348 O GLU A 87 -12.058 -8.806 1.533 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.242 -8.066 0.692 1.00 0.00 C ATOM 1350 CG GLU A 87 -8.128 -7.659 -0.263 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.592 -6.257 -0.041 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.914 -5.634 0.997 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.828 -5.782 -0.907 1.00 0.00 O ATOM 0 H GLU A 87 -10.078 -6.437 2.406 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.499 -6.734 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.885 -7.961 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.470 -9.121 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.306 -8.368 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.497 -7.736 -1.286 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.430 -8.212 -0.618 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.619 -9.041 -0.777 1.00 0.00 C ATOM 1362 C ASP A 88 -13.325 -10.273 -1.623 1.00 0.00 C ATOM 1363 O ASP A 88 -13.870 -11.348 -1.363 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.756 -8.237 -1.416 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.287 -7.140 -0.510 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.515 -6.219 -0.172 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.477 -7.203 -0.138 1.00 0.00 O ATOM 0 H ASP A 88 -12.176 -7.682 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.925 -9.368 0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.402 -7.793 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.571 -8.913 -1.675 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.476 -10.113 -2.647 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.142 -11.237 -3.532 1.00 0.00 C ATOM 1374 C GLN A 89 -10.709 -11.151 -4.066 1.00 0.00 C ATOM 1375 O GLN A 89 -10.231 -10.072 -4.413 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.130 -11.278 -4.712 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.979 -12.500 -5.612 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.821 -12.134 -7.077 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.660 -12.453 -7.640 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.725 -11.568 -7.691 1.00 0.00 N flip ATOM 0 H GLN A 89 -12.015 -9.233 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.218 -12.151 -2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.147 -11.252 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.997 -10.379 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.112 -13.078 -5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.852 -13.143 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.600 -11.343 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.599 -11.324 -8.673 1.00 0.00 H new ATOM 1389 N THR A 90 -10.053 -12.315 -4.160 1.00 0.00 N ATOM 1390 CA THR A 90 -8.692 -12.408 -4.693 1.00 0.00 C ATOM 1391 C THR A 90 -8.783 -12.839 -6.157 1.00 0.00 C ATOM 1392 O THR A 90 -9.402 -13.858 -6.469 1.00 0.00 O ATOM 1393 CB THR A 90 -7.861 -13.408 -3.879 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.989 -13.153 -2.492 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.382 -13.379 -4.203 1.00 0.00 C ATOM 0 H THR A 90 -10.448 -13.210 -3.871 1.00 0.00 H new ATOM 0 HA THR A 90 -8.195 -11.440 -4.623 1.00 0.00 H new ATOM 0 HB THR A 90 -8.257 -14.387 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.453 -13.802 -1.989 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.860 -14.113 -3.588 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.236 -13.618 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.984 -12.385 -3.998 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.199 -12.038 -7.048 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.257 -12.299 -8.492 1.00 0.00 C ATOM 1405 C LEU A 91 -7.170 -13.264 -8.945 1.00 0.00 C ATOM 1406 O LEU A 91 -7.409 -14.116 -9.805 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.091 -10.979 -9.257 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.981 -9.820 -8.792 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.351 -8.491 -9.165 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.382 -9.931 -9.374 1.00 0.00 C ATOM 0 H LEU A 91 -7.677 -11.198 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.225 -12.753 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.050 -10.666 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.291 -11.165 -10.312 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.068 -9.875 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.993 -7.677 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.375 -8.404 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.231 -8.436 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.988 -9.095 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.327 -9.910 -10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.837 -10.868 -9.052 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.982 -13.116 -8.374 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.846 -13.970 -8.730 1.00 0.00 C ATOM 1424 C LYS A 92 -3.855 -14.086 -7.552 1.00 0.00 C ATOM 1425 O LYS A 92 -3.550 -13.081 -6.909 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.154 -13.413 -9.987 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.281 -14.435 -10.718 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.407 -14.339 -12.239 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.763 -14.828 -12.738 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.876 -14.737 -14.220 1.00 0.00 N ATOM 0 H LYS A 92 -5.775 -12.415 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.211 -14.974 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.914 -13.042 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.537 -12.560 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.239 -14.286 -10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.558 -15.439 -10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.259 -13.305 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.617 -14.928 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.914 -15.861 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.554 -14.237 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.812 -15.079 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.758 -13.747 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.137 -15.321 -14.661 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.354 -15.323 -7.236 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.414 -15.565 -6.117 1.00 0.00 C ATOM 1446 C PRO A 93 -1.164 -14.693 -6.146 1.00 0.00 C ATOM 1447 O PRO A 93 -0.517 -14.553 -7.184 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.015 -17.027 -6.320 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.203 -17.636 -6.954 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.675 -16.597 -7.924 1.00 0.00 C ATOM 0 HA PRO A 93 -2.884 -15.332 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.134 -17.116 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.776 -17.511 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.951 -18.568 -7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.971 -17.871 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.162 -16.678 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.742 -16.689 -8.125 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.823 -14.140 -4.980 1.00 0.00 N ATOM 1459 CA GLY A 94 0.362 -13.309 -4.847 1.00 0.00 C ATOM 1460 C GLY A 94 1.419 -14.001 -4.015 1.00 0.00 C ATOM 1461 O GLY A 94 1.469 -13.830 -2.794 1.00 0.00 O ATOM 0 H GLY A 94 -1.355 -14.256 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.763 -13.081 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.094 -12.359 -4.384 1.00 0.00 H new ATOM 1465 N LYS A 95 2.245 -14.806 -4.678 1.00 0.00 N ATOM 1466 CA LYS A 95 3.295 -15.568 -4.002 1.00 0.00 C ATOM 1467 C LYS A 95 4.671 -15.411 -4.671 1.00 0.00 C ATOM 1468 O LYS A 95 5.476 -16.348 -4.681 1.00 0.00 O ATOM 1469 CB LYS A 95 2.895 -17.051 -3.911 1.00 0.00 C ATOM 1470 CG LYS A 95 2.040 -17.536 -5.078 1.00 0.00 C ATOM 1471 CD LYS A 95 1.810 -19.046 -5.050 1.00 0.00 C ATOM 1472 CE LYS A 95 0.951 -19.488 -3.867 1.00 0.00 C ATOM 1473 NZ LYS A 95 -0.415 -18.895 -3.912 1.00 0.00 N ATOM 0 H LYS A 95 2.208 -14.949 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 95 3.395 -15.159 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.799 -17.658 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.349 -17.213 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.077 -17.025 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.524 -17.263 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.329 -19.354 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.773 -19.556 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.873 -20.575 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.440 -19.199 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.979 -19.262 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.347 -17.860 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.874 -19.149 -4.810 1.00 0.00 H new ATOM 1487 N VAL A 96 4.944 -14.214 -5.204 1.00 0.00 N ATOM 1488 CA VAL A 96 6.234 -13.927 -5.847 1.00 0.00 C ATOM 1489 C VAL A 96 6.907 -12.733 -5.162 1.00 0.00 C ATOM 1490 O VAL A 96 6.471 -11.591 -5.310 1.00 0.00 O ATOM 1491 CB VAL A 96 6.085 -13.647 -7.369 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.443 -13.381 -8.021 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.388 -14.811 -8.062 1.00 0.00 C ATOM 0 H VAL A 96 4.292 -13.430 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 96 6.856 -14.816 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 96 5.474 -12.752 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.304 -13.189 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.908 -12.513 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.086 -14.251 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.293 -14.597 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.975 -15.720 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.397 -14.951 -7.630 1.00 0.00 H new ATOM 1503 N ASP A 97 7.966 -13.017 -4.399 1.00 0.00 N ATOM 1504 CA ASP A 97 8.700 -11.981 -3.672 1.00 0.00 C ATOM 1505 C ASP A 97 9.745 -11.311 -4.568 1.00 0.00 C ATOM 1506 O ASP A 97 10.648 -11.973 -5.089 1.00 0.00 O ATOM 1507 CB ASP A 97 9.371 -12.592 -2.434 1.00 0.00 C ATOM 1508 CG ASP A 97 9.939 -11.554 -1.472 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.716 -10.343 -1.686 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.597 -11.960 -0.491 1.00 0.00 O ATOM 0 H ASP A 97 8.334 -13.959 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 97 7.992 -11.215 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.644 -13.207 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.174 -13.254 -2.756 1.00 0.00 H new ATOM 1515 N VAL A 98 9.611 -9.990 -4.735 1.00 0.00 N ATOM 1516 CA VAL A 98 10.534 -9.205 -5.561 1.00 0.00 C ATOM 1517 C VAL A 98 11.151 -8.070 -4.735 1.00 0.00 C ATOM 1518 O VAL A 98 10.434 -7.318 -4.077 1.00 0.00 O ATOM 1519 CB VAL A 98 9.822 -8.598 -6.803 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.830 -7.958 -7.751 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.996 -9.649 -7.535 1.00 0.00 C ATOM 0 H VAL A 98 8.867 -9.440 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 98 11.314 -9.883 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 98 9.144 -7.822 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.306 -7.541 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 98 11.364 -7.163 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.541 -8.712 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.511 -9.194 -8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.648 -10.456 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.238 -10.050 -6.862 1.00 0.00 H new ATOM 1531 N LYS A 99 12.481 -7.955 -4.780 1.00 0.00 N ATOM 1532 CA LYS A 99 13.197 -6.908 -4.040 1.00 0.00 C ATOM 1533 C LYS A 99 13.108 -5.574 -4.786 1.00 0.00 C ATOM 1534 O LYS A 99 12.983 -5.557 -6.014 1.00 0.00 O ATOM 1535 CB LYS A 99 14.671 -7.294 -3.865 1.00 0.00 C ATOM 1536 CG LYS A 99 14.886 -8.638 -3.188 1.00 0.00 C ATOM 1537 CD LYS A 99 16.365 -8.946 -2.956 1.00 0.00 C ATOM 1538 CE LYS A 99 17.050 -9.516 -4.197 1.00 0.00 C ATOM 1539 NZ LYS A 99 17.207 -8.506 -5.282 1.00 0.00 N ATOM 0 H LYS A 99 13.085 -8.573 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 99 12.733 -6.804 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.149 -7.312 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.171 -6.521 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.362 -8.648 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.446 -9.425 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.878 -8.035 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.460 -9.657 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.031 -9.902 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.470 -10.359 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.107 -8.666 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.420 -8.596 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.203 -7.551 -4.870 1.00 0.00 H new ATOM 1553 N THR A 100 13.176 -4.459 -4.047 1.00 0.00 N ATOM 1554 CA THR A 100 13.106 -3.127 -4.661 1.00 0.00 C ATOM 1555 C THR A 100 14.506 -2.564 -4.909 1.00 0.00 C ATOM 1556 O THR A 100 15.484 -3.029 -4.316 1.00 0.00 O ATOM 1557 CB THR A 100 12.302 -2.160 -3.785 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.952 -1.942 -2.545 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.898 -2.642 -3.487 1.00 0.00 C ATOM 0 H THR A 100 13.278 -4.452 -3.032 1.00 0.00 H new ATOM 0 HA THR A 100 12.598 -3.234 -5.619 1.00 0.00 H new ATOM 0 HB THR A 100 12.237 -1.239 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.832 -2.727 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.387 -1.909 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.351 -2.768 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.945 -3.596 -2.962 1.00 0.00 H new ATOM 1567 N ASP A 101 14.590 -1.564 -5.792 1.00 0.00 N ATOM 1568 CA ASP A 101 15.865 -0.928 -6.134 1.00 0.00 C ATOM 1569 C ASP A 101 15.848 0.564 -5.788 1.00 0.00 C ATOM 1570 O ASP A 101 14.898 1.054 -5.175 1.00 0.00 O ATOM 1571 CB ASP A 101 16.169 -1.127 -7.622 1.00 0.00 C ATOM 1572 CG ASP A 101 16.294 -2.591 -8.002 1.00 0.00 C ATOM 1573 OD1 ASP A 101 17.190 -3.273 -7.459 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.495 -3.057 -8.842 1.00 0.00 O ATOM 0 H ASP A 101 13.785 -1.176 -6.285 1.00 0.00 H new ATOM 0 HA ASP A 101 16.651 -1.400 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.378 -0.668 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.096 -0.610 -7.872 1.00 0.00 H new ATOM 1579 N LYS A 102 16.915 1.271 -6.180 1.00 0.00 N ATOM 1580 CA LYS A 102 17.055 2.701 -5.917 1.00 0.00 C ATOM 1581 C LYS A 102 16.077 3.537 -6.753 1.00 0.00 C ATOM 1582 O LYS A 102 15.577 4.564 -6.286 1.00 0.00 O ATOM 1583 CB LYS A 102 18.508 3.121 -6.180 1.00 0.00 C ATOM 1584 CG LYS A 102 18.774 4.623 -6.082 1.00 0.00 C ATOM 1585 CD LYS A 102 20.244 4.971 -6.311 1.00 0.00 C ATOM 1586 CE LYS A 102 20.701 4.695 -7.735 1.00 0.00 C ATOM 1587 NZ LYS A 102 22.149 4.983 -7.920 1.00 0.00 N ATOM 0 H LYS A 102 17.702 0.865 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 102 16.806 2.888 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.154 2.606 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.794 2.781 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.161 5.146 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.468 4.980 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.403 6.025 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 102 20.860 4.397 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.504 3.652 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 102 20.119 5.303 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.420 4.782 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.334 5.984 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 22.707 4.384 -7.278 1.00 0.00 H new ATOM 1601 N TRP A 103 15.812 3.098 -7.986 1.00 0.00 N ATOM 1602 CA TRP A 103 14.902 3.820 -8.878 1.00 0.00 C ATOM 1603 C TRP A 103 13.480 3.264 -8.790 1.00 0.00 C ATOM 1604 O TRP A 103 12.885 2.858 -9.793 1.00 0.00 O ATOM 1605 CB TRP A 103 15.425 3.783 -10.325 1.00 0.00 C ATOM 1606 CG TRP A 103 16.838 4.274 -10.447 1.00 0.00 C ATOM 1607 CD1 TRP A 103 17.972 3.513 -10.446 1.00 0.00 C ATOM 1608 CD2 TRP A 103 17.270 5.637 -10.551 1.00 0.00 C ATOM 1609 NE1 TRP A 103 19.079 4.317 -10.547 1.00 0.00 N ATOM 1610 CE2 TRP A 103 18.675 5.624 -10.609 1.00 0.00 C ATOM 1611 CE3 TRP A 103 16.606 6.866 -10.601 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 19.427 6.789 -10.709 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 17.354 8.024 -10.705 1.00 0.00 C ATOM 1614 CH2 TRP A 103 18.752 7.979 -10.755 1.00 0.00 C ATOM 0 H TRP A 103 16.213 2.250 -8.388 1.00 0.00 H new ATOM 0 HA TRP A 103 14.865 4.860 -8.555 1.00 0.00 H new ATOM 0 HB2 TRP A 103 15.367 2.762 -10.701 1.00 0.00 H new ATOM 0 HB3 TRP A 103 14.778 4.393 -10.956 1.00 0.00 H new ATOM 0 HD1 TRP A 103 17.994 2.436 -10.376 1.00 0.00 H new ATOM 0 HE1 TRP A 103 20.046 3.994 -10.572 1.00 0.00 H new ATOM 0 HE3 TRP A 103 15.528 6.910 -10.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 20.506 6.756 -10.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 16.851 8.979 -10.748 1.00 0.00 H new ATOM 0 HH2 TRP A 103 19.309 8.901 -10.831 1.00 0.00 H new ATOM 1625 N ASP A 104 12.943 3.263 -7.568 1.00 0.00 N ATOM 1626 CA ASP A 104 11.591 2.776 -7.309 1.00 0.00 C ATOM 1627 C ASP A 104 10.762 3.834 -6.586 1.00 0.00 C ATOM 1628 O ASP A 104 9.649 4.156 -7.010 1.00 0.00 O ATOM 1629 CB ASP A 104 11.632 1.482 -6.486 1.00 0.00 C ATOM 1630 CG ASP A 104 12.061 0.280 -7.307 1.00 0.00 C ATOM 1631 OD1 ASP A 104 13.186 0.296 -7.848 1.00 0.00 O ATOM 1632 OD2 ASP A 104 11.268 -0.679 -7.411 1.00 0.00 O ATOM 0 H ASP A 104 13.431 3.598 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 104 11.119 2.565 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.319 1.610 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.645 1.294 -6.062 1.00 0.00 H new ATOM 1637 N PHE A 105 11.311 4.370 -5.490 1.00 0.00 N ATOM 1638 CA PHE A 105 10.620 5.394 -4.700 1.00 0.00 C ATOM 1639 C PHE A 105 11.441 6.691 -4.685 1.00 0.00 C ATOM 1640 O PHE A 105 11.918 7.128 -3.631 1.00 0.00 O ATOM 1641 CB PHE A 105 10.379 4.905 -3.255 1.00 0.00 C ATOM 1642 CG PHE A 105 9.972 3.453 -3.121 1.00 0.00 C ATOM 1643 CD1 PHE A 105 8.833 2.960 -3.742 1.00 0.00 C ATOM 1644 CD2 PHE A 105 10.737 2.584 -2.359 1.00 0.00 C ATOM 1645 CE1 PHE A 105 8.474 1.633 -3.603 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.376 1.257 -2.219 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.245 0.783 -2.841 1.00 0.00 C ATOM 0 H PHE A 105 12.230 4.112 -5.131 1.00 0.00 H new ATOM 0 HA PHE A 105 9.652 5.588 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 105 11.290 5.064 -2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.604 5.525 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.221 3.620 -4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.627 2.949 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.586 1.261 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.982 0.593 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.962 -0.254 -2.732 1.00 0.00 H new ATOM 1657 N TYR A 106 11.617 7.289 -5.867 1.00 0.00 N ATOM 1658 CA TYR A 106 12.398 8.521 -6.004 1.00 0.00 C ATOM 1659 C TYR A 106 11.891 9.373 -7.175 1.00 0.00 C ATOM 1660 O TYR A 106 12.196 9.097 -8.340 1.00 0.00 O ATOM 1661 CB TYR A 106 13.890 8.141 -6.176 1.00 0.00 C ATOM 1662 CG TYR A 106 14.888 9.281 -6.403 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.793 10.514 -5.747 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.951 9.095 -7.277 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.725 11.512 -5.969 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.886 10.087 -7.496 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.768 11.293 -6.841 1.00 0.00 C ATOM 1668 OH TYR A 106 17.699 12.282 -7.054 1.00 0.00 O ATOM 0 H TYR A 106 11.229 6.939 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 106 12.284 9.131 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.202 7.593 -5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.967 7.454 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.980 10.689 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 106 16.048 8.153 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.635 12.460 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.706 9.918 -8.178 1.00 0.00 H new ATOM 0 HH TYR A 106 17.728 12.504 -8.008 1.00 0.00 H new ATOM 1678 N CYS A 107 11.128 10.424 -6.846 1.00 0.00 N ATOM 1679 CA CYS A 107 10.592 11.340 -7.853 1.00 0.00 C ATOM 1680 C CYS A 107 11.522 12.539 -8.003 1.00 0.00 C ATOM 1681 O CYS A 107 11.422 13.518 -7.255 1.00 0.00 O ATOM 1682 CB CYS A 107 9.192 11.831 -7.474 1.00 0.00 C ATOM 1683 SG CYS A 107 7.947 10.522 -7.246 1.00 0.00 S ATOM 0 H CYS A 107 10.870 10.658 -5.888 1.00 0.00 H new ATOM 0 HA CYS A 107 10.522 10.798 -8.796 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.264 12.407 -6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.841 12.513 -8.249 1.00 0.00 H new ATOM 1688 N GLN A 108 12.431 12.445 -8.961 1.00 0.00 N ATOM 1689 CA GLN A 108 13.395 13.500 -9.216 1.00 0.00 C ATOM 1690 C GLN A 108 12.873 14.463 -10.284 1.00 0.00 C ATOM 1691 O GLN A 108 12.407 13.980 -11.338 1.00 0.00 O ATOM 1692 CB GLN A 108 14.722 12.882 -9.654 1.00 0.00 C ATOM 1693 CG GLN A 108 15.858 13.882 -9.734 1.00 0.00 C ATOM 1694 CD GLN A 108 17.095 13.319 -10.408 1.00 0.00 C ATOM 1695 OE1 GLN A 108 18.221 13.353 -9.706 1.00 0.00 O flip ATOM 1696 NE2 GLN A 108 17.042 12.866 -11.553 1.00 0.00 N flip ATOM 1697 OXT GLN A 108 12.935 15.689 -10.055 1.00 0.00 O ATOM 0 H GLN A 108 12.520 11.639 -9.580 1.00 0.00 H new ATOM 0 HA GLN A 108 13.550 14.069 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 108 14.993 12.091 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.591 12.414 -10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.522 14.763 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 108 16.117 14.211 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 108 16.156 12.859 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.884 12.499 -11.996 1.00 0.00 H new TER 1706 GLN A 108