USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 17 THR OG1 : rot -66:sc= 0.0138 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.0194 USER MOD Set 2.1: A 25 MET CE :methyl 171:sc= -1.52 (180deg=-1.85) USER MOD Set 2.2: A 45 MET CE :methyl -145:sc= -4.67! (180deg=-6.49!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 19:sc= 0.329 USER MOD Single : A 6 SER OG : rot -48:sc= 0.0888 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.766! C(o=-0.77!,f=-5.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00998 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0772 USER MOD Single : A 50 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.24) USER MOD Single : A 51 CYS SG : rot 104:sc= -0.333 USER MOD Single : A 56 TYR OH : rot -22:sc= 0.112 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= -1.1 (180deg=-1.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 70 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0097 X(o=-0.0097,f=-0.4) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.26) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -0.469 (180deg=-0.927) USER MOD Single : A 87 GLN : amide:sc= -5.07! C(o=-5.1!,f=-6.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.720 13.217 19.529 1.00 0.00 N ATOM 2 CA GLY A 1 -18.169 14.128 18.492 1.00 0.00 C ATOM 3 C GLY A 1 -17.839 13.630 17.099 1.00 0.00 C ATOM 4 O GLY A 1 -18.608 12.874 16.504 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.969 13.603 20.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.180 12.293 19.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.688 13.101 19.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.246 14.269 18.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.707 15.103 18.645 1.00 0.00 H new ATOM 8 N SER A 2 -16.693 14.054 16.577 1.00 0.00 N ATOM 9 CA SER A 2 -16.265 13.650 15.242 1.00 0.00 C ATOM 10 C SER A 2 -17.400 13.814 14.236 1.00 0.00 C ATOM 11 O SER A 2 -17.636 12.939 13.402 1.00 0.00 O ATOM 12 CB SER A 2 -15.785 12.198 15.255 1.00 0.00 C ATOM 13 OG SER A 2 -14.437 12.110 15.685 1.00 0.00 O ATOM 0 H SER A 2 -16.044 14.677 17.058 1.00 0.00 H new ATOM 0 HA SER A 2 -15.439 14.295 14.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.420 11.608 15.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.880 11.771 14.256 1.00 0.00 H new ATOM 0 HG SER A 2 -14.155 11.172 15.686 1.00 0.00 H new ATOM 19 N SER A 3 -18.100 14.940 14.320 1.00 0.00 N ATOM 20 CA SER A 3 -19.213 15.218 13.420 1.00 0.00 C ATOM 21 C SER A 3 -18.790 16.180 12.313 1.00 0.00 C ATOM 22 O SER A 3 -19.519 17.109 11.971 1.00 0.00 O ATOM 23 CB SER A 3 -20.392 15.805 14.198 1.00 0.00 C ATOM 24 OG SER A 3 -19.995 16.945 14.941 1.00 0.00 O ATOM 0 H SER A 3 -17.916 15.675 15.003 1.00 0.00 H new ATOM 0 HA SER A 3 -19.521 14.278 12.963 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.189 16.077 13.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.799 15.051 14.872 1.00 0.00 H new ATOM 0 HG SER A 3 -20.766 17.303 15.428 1.00 0.00 H new ATOM 30 N GLY A 4 -17.604 15.948 11.758 1.00 0.00 N ATOM 31 CA GLY A 4 -17.103 16.801 10.696 1.00 0.00 C ATOM 32 C GLY A 4 -16.662 16.013 9.479 1.00 0.00 C ATOM 33 O GLY A 4 -16.876 14.803 9.403 1.00 0.00 O ATOM 0 H GLY A 4 -16.982 15.185 12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.880 17.508 10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.263 17.386 11.070 1.00 0.00 H new ATOM 37 N SER A 5 -16.046 16.700 8.522 1.00 0.00 N ATOM 38 CA SER A 5 -15.579 16.058 7.299 1.00 0.00 C ATOM 39 C SER A 5 -14.060 15.914 7.306 1.00 0.00 C ATOM 40 O SER A 5 -13.335 16.886 7.519 1.00 0.00 O ATOM 41 CB SER A 5 -16.021 16.862 6.075 1.00 0.00 C ATOM 42 OG SER A 5 -15.403 18.137 6.052 1.00 0.00 O ATOM 0 H SER A 5 -15.859 17.702 8.570 1.00 0.00 H new ATOM 0 HA SER A 5 -16.020 15.063 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.768 16.315 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.105 16.980 6.085 1.00 0.00 H new ATOM 0 HG SER A 5 -14.614 18.129 6.633 1.00 0.00 H new ATOM 48 N SER A 6 -13.586 14.695 7.072 1.00 0.00 N ATOM 49 CA SER A 6 -12.154 14.422 7.056 1.00 0.00 C ATOM 50 C SER A 6 -11.680 14.094 5.643 1.00 0.00 C ATOM 51 O SER A 6 -10.891 13.172 5.439 1.00 0.00 O ATOM 52 CB SER A 6 -11.823 13.263 7.998 1.00 0.00 C ATOM 53 OG SER A 6 -10.434 13.210 8.273 1.00 0.00 O ATOM 0 H SER A 6 -14.173 13.881 6.891 1.00 0.00 H new ATOM 0 HA SER A 6 -11.635 15.318 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.377 13.378 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.144 12.323 7.550 1.00 0.00 H new ATOM 0 HG SER A 6 -9.932 13.283 7.435 1.00 0.00 H new ATOM 59 N GLY A 7 -12.168 14.857 4.670 1.00 0.00 N ATOM 60 CA GLY A 7 -11.784 14.633 3.288 1.00 0.00 C ATOM 61 C GLY A 7 -10.301 14.847 3.056 1.00 0.00 C ATOM 62 O GLY A 7 -9.614 15.432 3.893 1.00 0.00 O ATOM 0 H GLY A 7 -12.822 15.626 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.050 13.616 3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.350 15.305 2.643 1.00 0.00 H new ATOM 66 N GLU A 8 -9.807 14.371 1.918 1.00 0.00 N ATOM 67 CA GLU A 8 -8.395 14.512 1.581 1.00 0.00 C ATOM 68 C GLU A 8 -7.515 13.852 2.638 1.00 0.00 C ATOM 69 O GLU A 8 -6.492 14.405 3.042 1.00 0.00 O ATOM 70 CB GLU A 8 -8.026 15.991 1.444 1.00 0.00 C ATOM 71 CG GLU A 8 -6.735 16.227 0.678 1.00 0.00 C ATOM 72 CD GLU A 8 -6.689 15.471 -0.636 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.453 15.832 -1.555 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.889 14.518 -0.744 1.00 0.00 O ATOM 0 H GLU A 8 -10.363 13.885 1.214 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.223 14.013 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.839 16.514 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.934 16.428 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.622 17.294 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.890 15.925 1.296 1.00 0.00 H new ATOM 81 N ARG A 9 -7.922 12.668 3.083 1.00 0.00 N ATOM 82 CA ARG A 9 -7.172 11.933 4.095 1.00 0.00 C ATOM 83 C ARG A 9 -5.697 11.840 3.717 1.00 0.00 C ATOM 84 O ARG A 9 -4.820 12.175 4.514 1.00 0.00 O ATOM 85 CB ARG A 9 -7.753 10.529 4.271 1.00 0.00 C ATOM 86 CG ARG A 9 -9.181 10.522 4.793 1.00 0.00 C ATOM 87 CD ARG A 9 -9.229 10.801 6.287 1.00 0.00 C ATOM 88 NE ARG A 9 -8.557 9.760 7.060 1.00 0.00 N ATOM 89 CZ ARG A 9 -9.104 8.582 7.339 1.00 0.00 C ATOM 90 NH1 ARG A 9 -10.325 8.297 6.909 1.00 0.00 N ATOM 91 NH2 ARG A 9 -8.428 7.687 8.048 1.00 0.00 N ATOM 0 H ARG A 9 -8.767 12.197 2.759 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.255 12.474 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.723 10.010 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.121 9.967 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.767 11.272 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.640 9.555 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.760 11.764 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.268 10.878 6.608 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.616 9.948 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.846 8.983 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.743 7.392 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.488 7.903 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.849 6.783 8.262 1.00 0.00 H new ATOM 105 N ARG A 10 -5.430 11.384 2.498 1.00 0.00 N ATOM 106 CA ARG A 10 -4.061 11.246 2.016 1.00 0.00 C ATOM 107 C ARG A 10 -3.375 12.606 1.930 1.00 0.00 C ATOM 108 O ARG A 10 -4.033 13.646 1.939 1.00 0.00 O ATOM 109 CB ARG A 10 -4.047 10.569 0.644 1.00 0.00 C ATOM 110 CG ARG A 10 -4.010 9.051 0.715 1.00 0.00 C ATOM 111 CD ARG A 10 -5.327 8.485 1.223 1.00 0.00 C ATOM 112 NE ARG A 10 -6.384 8.572 0.219 1.00 0.00 N ATOM 113 CZ ARG A 10 -7.612 8.098 0.401 1.00 0.00 C ATOM 114 NH1 ARG A 10 -7.935 7.507 1.543 1.00 0.00 N ATOM 115 NH2 ARG A 10 -8.519 8.215 -0.560 1.00 0.00 N ATOM 0 H ARG A 10 -6.144 11.104 1.826 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.513 10.626 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.932 10.877 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.180 10.919 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.795 8.645 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.200 8.736 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.186 7.443 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.632 9.026 2.119 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.168 9.021 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.240 7.415 2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.878 7.144 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.274 8.669 -1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.461 7.851 -0.419 1.00 0.00 H new ATOM 129 N ALA A 11 -2.049 12.590 1.848 1.00 0.00 N ATOM 130 CA ALA A 11 -1.274 13.821 1.759 1.00 0.00 C ATOM 131 C ALA A 11 -0.598 13.948 0.398 1.00 0.00 C ATOM 132 O ALA A 11 -0.128 12.969 -0.182 1.00 0.00 O ATOM 133 CB ALA A 11 -0.237 13.874 2.872 1.00 0.00 C ATOM 0 H ALA A 11 -1.489 11.738 1.841 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.959 14.661 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.334 14.799 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.739 13.839 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.437 13.022 2.782 1.00 0.00 H new ATOM 139 N PRO A 12 -0.549 15.182 -0.126 1.00 0.00 N ATOM 140 CA PRO A 12 0.067 15.465 -1.426 1.00 0.00 C ATOM 141 C PRO A 12 1.583 15.312 -1.395 1.00 0.00 C ATOM 142 O PRO A 12 2.259 15.521 -2.402 1.00 0.00 O ATOM 143 CB PRO A 12 -0.318 16.923 -1.690 1.00 0.00 C ATOM 144 CG PRO A 12 -0.539 17.508 -0.338 1.00 0.00 C ATOM 145 CD PRO A 12 -1.090 16.395 0.510 1.00 0.00 C ATOM 0 HA PRO A 12 -0.272 14.773 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.472 17.450 -2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.217 16.990 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.393 17.891 0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.236 18.345 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.767 16.483 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.180 16.395 0.514 1.00 0.00 H new ATOM 153 N ARG A 13 2.113 14.945 -0.232 1.00 0.00 N ATOM 154 CA ARG A 13 3.550 14.764 -0.070 1.00 0.00 C ATOM 155 C ARG A 13 4.081 13.721 -1.049 1.00 0.00 C ATOM 156 O ARG A 13 3.356 12.815 -1.461 1.00 0.00 O ATOM 157 CB ARG A 13 3.874 14.344 1.365 1.00 0.00 C ATOM 158 CG ARG A 13 5.260 14.766 1.824 1.00 0.00 C ATOM 159 CD ARG A 13 6.294 13.687 1.539 1.00 0.00 C ATOM 160 NE ARG A 13 7.518 13.885 2.310 1.00 0.00 N ATOM 161 CZ ARG A 13 8.410 14.833 2.043 1.00 0.00 C ATOM 162 NH1 ARG A 13 8.214 15.665 1.030 1.00 0.00 N ATOM 163 NH2 ARG A 13 9.500 14.950 2.791 1.00 0.00 N ATOM 0 H ARG A 13 1.568 14.767 0.612 1.00 0.00 H new ATOM 0 HA ARG A 13 4.037 15.716 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.131 14.774 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.788 13.260 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.547 15.688 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.241 14.980 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.872 12.710 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.532 13.685 0.475 1.00 0.00 H new ATOM 0 HE ARG A 13 7.698 13.261 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.377 15.578 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.900 16.392 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.654 14.312 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.184 15.678 2.585 1.00 0.00 H new ATOM 177 N LYS A 14 5.350 13.855 -1.418 1.00 0.00 N ATOM 178 CA LYS A 14 5.979 12.925 -2.348 1.00 0.00 C ATOM 179 C LYS A 14 5.425 11.516 -2.167 1.00 0.00 C ATOM 180 O LYS A 14 4.721 10.999 -3.033 1.00 0.00 O ATOM 181 CB LYS A 14 7.496 12.918 -2.146 1.00 0.00 C ATOM 182 CG LYS A 14 8.187 14.161 -2.679 1.00 0.00 C ATOM 183 CD LYS A 14 9.574 14.328 -2.081 1.00 0.00 C ATOM 184 CE LYS A 14 10.017 15.783 -2.098 1.00 0.00 C ATOM 185 NZ LYS A 14 11.500 15.911 -2.142 1.00 0.00 N ATOM 0 H LYS A 14 5.964 14.599 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 14 5.755 13.257 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.712 12.821 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.915 12.040 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.263 14.099 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.584 15.040 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.576 13.958 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.288 13.723 -2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.583 16.284 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.635 16.289 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.761 16.918 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.913 15.455 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.863 15.450 -3.001 1.00 0.00 H new ATOM 199 N GLY A 15 5.747 10.899 -1.033 1.00 0.00 N ATOM 200 CA GLY A 15 5.271 9.556 -0.758 1.00 0.00 C ATOM 201 C GLY A 15 5.914 8.518 -1.657 1.00 0.00 C ATOM 202 O GLY A 15 5.531 8.370 -2.817 1.00 0.00 O ATOM 0 H GLY A 15 6.329 11.306 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.476 9.307 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.189 9.524 -0.887 1.00 0.00 H new ATOM 206 N ASN A 16 6.894 7.799 -1.121 1.00 0.00 N ATOM 207 CA ASN A 16 7.593 6.771 -1.884 1.00 0.00 C ATOM 208 C ASN A 16 7.372 5.392 -1.270 1.00 0.00 C ATOM 209 O ASN A 16 7.284 4.390 -1.980 1.00 0.00 O ATOM 210 CB ASN A 16 9.090 7.080 -1.944 1.00 0.00 C ATOM 211 CG ASN A 16 9.604 7.704 -0.660 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.985 8.614 -0.108 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.741 7.216 -0.180 1.00 0.00 N ATOM 0 H ASN A 16 7.222 7.909 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 16 7.188 6.768 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.640 6.160 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.286 7.756 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.136 7.596 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.220 6.461 -0.671 1.00 0.00 H new ATOM 220 N THR A 17 7.281 5.349 0.056 1.00 0.00 N ATOM 221 CA THR A 17 7.070 4.094 0.767 1.00 0.00 C ATOM 222 C THR A 17 5.585 3.767 0.876 1.00 0.00 C ATOM 223 O THR A 17 4.737 4.658 0.814 1.00 0.00 O ATOM 224 CB THR A 17 7.679 4.141 2.181 1.00 0.00 C ATOM 225 OG1 THR A 17 8.967 4.765 2.140 1.00 0.00 O ATOM 226 CG2 THR A 17 7.807 2.741 2.762 1.00 0.00 C ATOM 0 H THR A 17 7.350 6.169 0.659 1.00 0.00 H new ATOM 0 HA THR A 17 7.569 3.316 0.190 1.00 0.00 H new ATOM 0 HB THR A 17 7.014 4.723 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.588 4.201 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.239 2.800 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.821 2.280 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.452 2.139 2.122 1.00 0.00 H new ATOM 234 N LEU A 18 5.278 2.485 1.040 1.00 0.00 N ATOM 235 CA LEU A 18 3.893 2.040 1.159 1.00 0.00 C ATOM 236 C LEU A 18 3.739 1.042 2.302 1.00 0.00 C ATOM 237 O LEU A 18 4.475 0.058 2.385 1.00 0.00 O ATOM 238 CB LEU A 18 3.426 1.407 -0.153 1.00 0.00 C ATOM 239 CG LEU A 18 3.892 2.098 -1.435 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.661 1.199 -2.640 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.176 3.428 -1.614 1.00 0.00 C ATOM 0 H LEU A 18 5.968 1.736 1.094 1.00 0.00 H new ATOM 0 HA LEU A 18 3.274 2.911 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.769 0.373 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.336 1.382 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 18 4.961 2.292 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.999 1.707 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.220 0.272 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.598 0.973 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.520 3.906 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.101 3.257 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.393 4.075 -0.764 1.00 0.00 H new ATOM 253 N TYR A 19 2.777 1.301 3.181 1.00 0.00 N ATOM 254 CA TYR A 19 2.525 0.425 4.319 1.00 0.00 C ATOM 255 C TYR A 19 1.622 -0.739 3.922 1.00 0.00 C ATOM 256 O TYR A 19 0.435 -0.555 3.653 1.00 0.00 O ATOM 257 CB TYR A 19 1.887 1.213 5.464 1.00 0.00 C ATOM 258 CG TYR A 19 2.025 0.542 6.812 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.106 -0.411 7.233 1.00 0.00 C ATOM 260 CD2 TYR A 19 3.075 0.861 7.664 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.228 -1.026 8.464 1.00 0.00 C ATOM 262 CE2 TYR A 19 3.205 0.250 8.897 1.00 0.00 C ATOM 263 CZ TYR A 19 2.279 -0.692 9.292 1.00 0.00 C ATOM 264 OH TYR A 19 2.405 -1.304 10.518 1.00 0.00 O ATOM 0 H TYR A 19 2.159 2.111 3.127 1.00 0.00 H new ATOM 0 HA TYR A 19 3.481 0.021 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.343 2.202 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.829 1.360 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.282 -0.676 6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.802 1.599 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.504 -1.764 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.027 0.509 9.547 1.00 0.00 H new ATOM 0 HH TYR A 19 3.199 -0.957 10.977 1.00 0.00 H new ATOM 274 N VAL A 20 2.194 -1.938 3.889 1.00 0.00 N ATOM 275 CA VAL A 20 1.442 -3.134 3.528 1.00 0.00 C ATOM 276 C VAL A 20 1.191 -4.015 4.747 1.00 0.00 C ATOM 277 O VAL A 20 2.021 -4.091 5.652 1.00 0.00 O ATOM 278 CB VAL A 20 2.179 -3.958 2.456 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.302 -5.098 1.961 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.610 -3.066 1.301 1.00 0.00 C ATOM 0 H VAL A 20 3.176 -2.107 4.108 1.00 0.00 H new ATOM 0 HA VAL A 20 0.487 -2.797 3.124 1.00 0.00 H new ATOM 0 HB VAL A 20 3.073 -4.389 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.840 -5.669 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.049 -5.751 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.388 -4.692 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.129 -3.665 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.731 -2.604 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.279 -2.289 1.671 1.00 0.00 H new ATOM 290 N TYR A 21 0.041 -4.679 4.762 1.00 0.00 N ATOM 291 CA TYR A 21 -0.321 -5.554 5.871 1.00 0.00 C ATOM 292 C TYR A 21 -0.868 -6.883 5.360 1.00 0.00 C ATOM 293 O TYR A 21 -1.700 -6.918 4.455 1.00 0.00 O ATOM 294 CB TYR A 21 -1.358 -4.874 6.767 1.00 0.00 C ATOM 295 CG TYR A 21 -2.044 -5.821 7.726 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.147 -6.566 7.326 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.591 -5.970 9.030 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.778 -7.432 8.198 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.215 -6.835 9.909 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.308 -7.564 9.488 1.00 0.00 C ATOM 301 OH TYR A 21 -3.932 -8.425 10.361 1.00 0.00 O ATOM 0 H TYR A 21 -0.656 -4.628 4.019 1.00 0.00 H new ATOM 0 HA TYR A 21 0.579 -5.752 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.871 -4.083 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.111 -4.397 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.517 -6.466 6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.736 -5.400 9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.635 -8.003 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.849 -6.940 10.920 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.475 -8.400 11.228 1.00 0.00 H new ATOM 311 N GLY A 22 -0.394 -7.977 5.949 1.00 0.00 N ATOM 312 CA GLY A 22 -0.846 -9.294 5.542 1.00 0.00 C ATOM 313 C GLY A 22 -0.857 -10.284 6.690 1.00 0.00 C ATOM 314 O GLY A 22 -0.596 -9.918 7.835 1.00 0.00 O ATOM 0 H GLY A 22 0.295 -7.974 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.849 -9.217 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.198 -9.668 4.750 1.00 0.00 H new ATOM 318 N GLU A 23 -1.163 -11.541 6.383 1.00 0.00 N ATOM 319 CA GLU A 23 -1.210 -12.585 7.399 1.00 0.00 C ATOM 320 C GLU A 23 -0.458 -13.830 6.936 1.00 0.00 C ATOM 321 O GLU A 23 0.320 -14.414 7.690 1.00 0.00 O ATOM 322 CB GLU A 23 -2.661 -12.944 7.726 1.00 0.00 C ATOM 323 CG GLU A 23 -3.550 -13.060 6.500 1.00 0.00 C ATOM 324 CD GLU A 23 -5.017 -13.210 6.855 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.471 -14.361 7.025 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.711 -12.177 6.963 1.00 0.00 O ATOM 0 H GLU A 23 -1.382 -11.860 5.439 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.726 -12.203 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.679 -13.889 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.073 -12.186 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.420 -12.176 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.234 -13.918 5.907 1.00 0.00 H new ATOM 333 N ASP A 24 -0.697 -14.229 5.692 1.00 0.00 N ATOM 334 CA ASP A 24 -0.043 -15.403 5.127 1.00 0.00 C ATOM 335 C ASP A 24 0.735 -15.038 3.866 1.00 0.00 C ATOM 336 O ASP A 24 0.701 -15.763 2.873 1.00 0.00 O ATOM 337 CB ASP A 24 -1.076 -16.485 4.808 1.00 0.00 C ATOM 338 CG ASP A 24 -0.502 -17.884 4.913 1.00 0.00 C ATOM 339 OD1 ASP A 24 0.435 -18.081 5.716 1.00 0.00 O ATOM 340 OD2 ASP A 24 -0.987 -18.781 4.193 1.00 0.00 O ATOM 0 H ASP A 24 -1.339 -13.757 5.055 1.00 0.00 H new ATOM 0 HA ASP A 24 0.659 -15.788 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.920 -16.390 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.462 -16.329 3.801 1.00 0.00 H new ATOM 345 N MET A 25 1.435 -13.909 3.915 1.00 0.00 N ATOM 346 CA MET A 25 2.222 -13.448 2.777 1.00 0.00 C ATOM 347 C MET A 25 3.712 -13.478 3.099 1.00 0.00 C ATOM 348 O MET A 25 4.109 -13.392 4.262 1.00 0.00 O ATOM 349 CB MET A 25 1.802 -12.032 2.380 1.00 0.00 C ATOM 350 CG MET A 25 1.299 -11.198 3.547 1.00 0.00 C ATOM 351 SD MET A 25 2.568 -10.912 4.795 1.00 0.00 S ATOM 352 CE MET A 25 2.690 -9.125 4.751 1.00 0.00 C ATOM 0 H MET A 25 1.473 -13.297 4.730 1.00 0.00 H new ATOM 0 HA MET A 25 2.036 -14.122 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.651 -11.525 1.921 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.020 -12.092 1.623 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.939 -10.239 3.174 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.449 -11.701 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.315 -8.783 5.576 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.134 -8.814 3.805 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.695 -8.690 4.845 1.00 0.00 H new ATOM 362 N THR A 26 4.535 -13.602 2.062 1.00 0.00 N ATOM 363 CA THR A 26 5.981 -13.645 2.234 1.00 0.00 C ATOM 364 C THR A 26 6.669 -12.590 1.375 1.00 0.00 C ATOM 365 O THR A 26 6.142 -12.146 0.355 1.00 0.00 O ATOM 366 CB THR A 26 6.549 -15.031 1.878 1.00 0.00 C ATOM 367 OG1 THR A 26 5.910 -15.534 0.699 1.00 0.00 O ATOM 368 CG2 THR A 26 6.348 -16.010 3.026 1.00 0.00 C ATOM 0 H THR A 26 4.224 -13.674 1.093 1.00 0.00 H new ATOM 0 HA THR A 26 6.180 -13.439 3.286 1.00 0.00 H new ATOM 0 HB THR A 26 7.618 -14.925 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.278 -16.415 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.757 -16.982 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.859 -15.639 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.283 -16.111 3.236 1.00 0.00 H new ATOM 376 N PRO A 27 7.875 -12.179 1.793 1.00 0.00 N ATOM 377 CA PRO A 27 8.662 -11.173 1.074 1.00 0.00 C ATOM 378 C PRO A 27 8.743 -11.460 -0.421 1.00 0.00 C ATOM 379 O PRO A 27 8.250 -10.684 -1.241 1.00 0.00 O ATOM 380 CB PRO A 27 10.048 -11.281 1.715 1.00 0.00 C ATOM 381 CG PRO A 27 9.791 -11.811 3.084 1.00 0.00 C ATOM 382 CD PRO A 27 8.565 -12.666 3.000 1.00 0.00 C ATOM 0 HA PRO A 27 8.219 -10.180 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.696 -11.949 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.544 -10.311 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.642 -12.392 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.644 -10.995 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.820 -13.722 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.941 -12.558 3.887 1.00 0.00 H new ATOM 390 N THR A 28 9.368 -12.580 -0.771 1.00 0.00 N ATOM 391 CA THR A 28 9.514 -12.969 -2.168 1.00 0.00 C ATOM 392 C THR A 28 8.198 -12.817 -2.922 1.00 0.00 C ATOM 393 O THR A 28 8.186 -12.536 -4.121 1.00 0.00 O ATOM 394 CB THR A 28 10.001 -14.425 -2.298 1.00 0.00 C ATOM 395 OG1 THR A 28 11.263 -14.580 -1.638 1.00 0.00 O ATOM 396 CG2 THR A 28 10.135 -14.823 -3.760 1.00 0.00 C ATOM 0 H THR A 28 9.781 -13.234 -0.106 1.00 0.00 H new ATOM 0 HA THR A 28 10.259 -12.304 -2.605 1.00 0.00 H new ATOM 0 HB THR A 28 9.263 -15.075 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.565 -15.508 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.480 -15.855 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.167 -14.732 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.854 -14.168 -4.251 1.00 0.00 H new ATOM 404 N LEU A 29 7.090 -13.003 -2.213 1.00 0.00 N ATOM 405 CA LEU A 29 5.767 -12.885 -2.815 1.00 0.00 C ATOM 406 C LEU A 29 5.467 -11.438 -3.193 1.00 0.00 C ATOM 407 O LEU A 29 5.026 -11.154 -4.307 1.00 0.00 O ATOM 408 CB LEU A 29 4.698 -13.404 -1.852 1.00 0.00 C ATOM 409 CG LEU A 29 3.347 -13.758 -2.475 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.550 -14.660 -1.545 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.562 -12.495 -2.799 1.00 0.00 C ATOM 0 H LEU A 29 7.082 -13.236 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 29 5.754 -13.489 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.088 -14.290 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.534 -12.650 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 29 3.527 -14.298 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.592 -14.901 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.107 -15.579 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.379 -14.147 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.603 -12.766 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.392 -11.928 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.128 -11.886 -3.504 1.00 0.00 H new ATOM 423 N LEU A 30 5.712 -10.525 -2.259 1.00 0.00 N ATOM 424 CA LEU A 30 5.472 -9.106 -2.494 1.00 0.00 C ATOM 425 C LEU A 30 6.341 -8.588 -3.636 1.00 0.00 C ATOM 426 O LEU A 30 5.957 -7.661 -4.350 1.00 0.00 O ATOM 427 CB LEU A 30 5.749 -8.303 -1.222 1.00 0.00 C ATOM 428 CG LEU A 30 5.162 -8.870 0.071 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.392 -7.911 1.228 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.677 -9.158 -0.099 1.00 0.00 C ATOM 0 H LEU A 30 6.077 -10.743 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 30 4.426 -8.982 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.829 -8.215 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.361 -7.294 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 30 5.670 -9.807 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.967 -8.332 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.462 -7.756 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.912 -6.957 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.276 -9.561 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.154 -8.235 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.537 -9.884 -0.900 1.00 0.00 H new ATOM 442 N ARG A 31 7.512 -9.193 -3.803 1.00 0.00 N ATOM 443 CA ARG A 31 8.435 -8.794 -4.858 1.00 0.00 C ATOM 444 C ARG A 31 7.775 -8.908 -6.229 1.00 0.00 C ATOM 445 O ARG A 31 7.907 -8.019 -7.069 1.00 0.00 O ATOM 446 CB ARG A 31 9.697 -9.657 -4.814 1.00 0.00 C ATOM 447 CG ARG A 31 10.757 -9.138 -3.855 1.00 0.00 C ATOM 448 CD ARG A 31 12.157 -9.509 -4.319 1.00 0.00 C ATOM 449 NE ARG A 31 12.609 -8.667 -5.423 1.00 0.00 N ATOM 450 CZ ARG A 31 12.986 -7.402 -5.275 1.00 0.00 C ATOM 451 NH1 ARG A 31 12.965 -6.836 -4.076 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.386 -6.700 -6.328 1.00 0.00 N ATOM 0 H ARG A 31 7.844 -9.962 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 31 8.710 -7.752 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.423 -10.672 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.123 -9.715 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.675 -8.054 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.582 -9.548 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.852 -9.416 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.171 -10.553 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 31 12.637 -9.072 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.659 -7.372 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.255 -5.864 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.404 -7.132 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.675 -5.729 -6.213 1.00 0.00 H new ATOM 466 N GLY A 32 7.065 -10.011 -6.449 1.00 0.00 N ATOM 467 CA GLY A 32 6.397 -10.221 -7.720 1.00 0.00 C ATOM 468 C GLY A 32 4.984 -9.670 -7.730 1.00 0.00 C ATOM 469 O GLY A 32 4.309 -9.694 -8.758 1.00 0.00 O ATOM 0 H GLY A 32 6.941 -10.762 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.974 -9.746 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.369 -11.288 -7.941 1.00 0.00 H new ATOM 473 N ALA A 33 4.536 -9.174 -6.581 1.00 0.00 N ATOM 474 CA ALA A 33 3.195 -8.615 -6.462 1.00 0.00 C ATOM 475 C ALA A 33 3.220 -7.097 -6.597 1.00 0.00 C ATOM 476 O ALA A 33 2.272 -6.492 -7.099 1.00 0.00 O ATOM 477 CB ALA A 33 2.571 -9.019 -5.135 1.00 0.00 C ATOM 0 H ALA A 33 5.082 -9.148 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 33 2.587 -9.016 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.570 -8.595 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.510 -10.106 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.186 -8.646 -4.316 1.00 0.00 H new ATOM 483 N PHE A 34 4.309 -6.485 -6.145 1.00 0.00 N ATOM 484 CA PHE A 34 4.456 -5.035 -6.214 1.00 0.00 C ATOM 485 C PHE A 34 5.256 -4.628 -7.447 1.00 0.00 C ATOM 486 O PHE A 34 5.145 -3.500 -7.928 1.00 0.00 O ATOM 487 CB PHE A 34 5.143 -4.511 -4.951 1.00 0.00 C ATOM 488 CG PHE A 34 4.239 -4.468 -3.751 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.875 -5.635 -3.100 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.755 -3.261 -3.275 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.044 -5.599 -1.997 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.923 -3.218 -2.172 1.00 0.00 C ATOM 493 CZ PHE A 34 2.568 -4.389 -1.531 1.00 0.00 C ATOM 0 H PHE A 34 5.103 -6.970 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 34 3.461 -4.597 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.003 -5.142 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.525 -3.509 -5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.245 -6.584 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.031 -2.342 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.767 -6.516 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.551 -2.270 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.920 -4.359 -0.668 1.00 0.00 H new ATOM 503 N SER A 35 6.064 -5.554 -7.954 1.00 0.00 N ATOM 504 CA SER A 35 6.887 -5.291 -9.129 1.00 0.00 C ATOM 505 C SER A 35 6.024 -4.854 -10.309 1.00 0.00 C ATOM 506 O SER A 35 6.328 -3.889 -11.010 1.00 0.00 O ATOM 507 CB SER A 35 7.691 -6.537 -9.504 1.00 0.00 C ATOM 508 OG SER A 35 7.880 -6.619 -10.906 1.00 0.00 O ATOM 0 H SER A 35 6.166 -6.493 -7.569 1.00 0.00 H new ATOM 0 HA SER A 35 7.577 -4.482 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.659 -6.513 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.172 -7.428 -9.151 1.00 0.00 H new ATOM 0 HG SER A 35 8.398 -7.423 -11.120 1.00 0.00 H new ATOM 514 N PRO A 36 4.921 -5.582 -10.536 1.00 0.00 N ATOM 515 CA PRO A 36 3.990 -5.290 -11.630 1.00 0.00 C ATOM 516 C PRO A 36 3.614 -3.813 -11.693 1.00 0.00 C ATOM 517 O PRO A 36 3.188 -3.314 -12.735 1.00 0.00 O ATOM 518 CB PRO A 36 2.764 -6.140 -11.290 1.00 0.00 C ATOM 519 CG PRO A 36 3.298 -7.267 -10.475 1.00 0.00 C ATOM 520 CD PRO A 36 4.496 -6.747 -9.741 1.00 0.00 C ATOM 0 HA PRO A 36 4.424 -5.514 -12.604 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.025 -5.564 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.271 -6.503 -12.192 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.544 -7.628 -9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.571 -8.108 -11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.246 -6.463 -8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.284 -7.498 -9.680 1.00 0.00 H new ATOM 528 N PHE A 37 3.775 -3.119 -10.571 1.00 0.00 N ATOM 529 CA PHE A 37 3.451 -1.699 -10.499 1.00 0.00 C ATOM 530 C PHE A 37 4.680 -0.845 -10.798 1.00 0.00 C ATOM 531 O PHE A 37 4.584 0.194 -11.450 1.00 0.00 O ATOM 532 CB PHE A 37 2.899 -1.350 -9.115 1.00 0.00 C ATOM 533 CG PHE A 37 1.547 -1.944 -8.842 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.429 -3.223 -8.323 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.393 -1.222 -9.104 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.186 -3.772 -8.070 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.852 -1.766 -8.853 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.956 -3.043 -8.337 1.00 0.00 C ATOM 0 H PHE A 37 4.127 -3.516 -9.700 1.00 0.00 H new ATOM 0 HA PHE A 37 2.691 -1.487 -11.251 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.599 -1.697 -8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.837 -0.266 -9.020 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.319 -3.798 -8.114 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.468 -0.223 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.108 -4.770 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.744 -1.193 -9.060 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.929 -3.471 -8.143 1.00 0.00 H new ATOM 548 N GLY A 38 5.836 -1.292 -10.316 1.00 0.00 N ATOM 549 CA GLY A 38 7.067 -0.558 -10.542 1.00 0.00 C ATOM 550 C GLY A 38 8.289 -1.312 -10.056 1.00 0.00 C ATOM 551 O GLY A 38 8.289 -2.541 -10.005 1.00 0.00 O ATOM 0 H GLY A 38 5.942 -2.149 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.172 -0.350 -11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.011 0.404 -10.033 1.00 0.00 H new ATOM 555 N ASN A 39 9.335 -0.574 -9.699 1.00 0.00 N ATOM 556 CA ASN A 39 10.570 -1.181 -9.217 1.00 0.00 C ATOM 557 C ASN A 39 10.693 -1.036 -7.703 1.00 0.00 C ATOM 558 O ASN A 39 10.577 0.065 -7.163 1.00 0.00 O ATOM 559 CB ASN A 39 11.779 -0.539 -9.901 1.00 0.00 C ATOM 560 CG ASN A 39 13.087 -1.194 -9.498 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.246 -2.409 -9.611 1.00 0.00 O ATOM 562 ND2 ASN A 39 14.030 -0.388 -9.024 1.00 0.00 N ATOM 0 H ASN A 39 9.352 0.445 -9.734 1.00 0.00 H new ATOM 0 HA ASN A 39 10.543 -2.243 -9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.660 -0.607 -10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.814 0.521 -9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.931 -0.771 -8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.854 0.614 -8.948 1.00 0.00 H new ATOM 569 N ILE A 40 10.927 -2.154 -7.024 1.00 0.00 N ATOM 570 CA ILE A 40 11.067 -2.151 -5.573 1.00 0.00 C ATOM 571 C ILE A 40 12.516 -1.915 -5.161 1.00 0.00 C ATOM 572 O ILE A 40 13.382 -2.761 -5.385 1.00 0.00 O ATOM 573 CB ILE A 40 10.580 -3.476 -4.959 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.140 -3.765 -5.389 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.685 -3.427 -3.442 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.724 -5.204 -5.181 1.00 0.00 C ATOM 0 H ILE A 40 11.024 -3.073 -7.455 1.00 0.00 H new ATOM 0 HA ILE A 40 10.448 -1.336 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 40 11.217 -4.283 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.466 -3.116 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.026 -3.511 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.337 -4.371 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.723 -3.263 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.070 -2.612 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.692 -5.335 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.374 -5.858 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.805 -5.457 -4.124 1.00 0.00 H new ATOM 588 N ILE A 41 12.772 -0.760 -4.556 1.00 0.00 N ATOM 589 CA ILE A 41 14.116 -0.413 -4.109 1.00 0.00 C ATOM 590 C ILE A 41 14.300 -0.724 -2.628 1.00 0.00 C ATOM 591 O ILE A 41 15.422 -0.907 -2.156 1.00 0.00 O ATOM 592 CB ILE A 41 14.423 1.076 -4.352 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.210 1.935 -3.991 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.828 1.304 -5.801 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.482 3.422 -4.051 1.00 0.00 C ATOM 0 H ILE A 41 12.067 -0.049 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 41 14.809 -1.018 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 41 15.255 1.369 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.391 1.696 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.877 1.675 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.042 2.361 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.718 0.717 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.015 0.997 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.578 3.968 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.279 3.675 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.785 3.696 -5.061 1.00 0.00 H new ATOM 607 N ASP A 42 13.190 -0.784 -1.899 1.00 0.00 N ATOM 608 CA ASP A 42 13.228 -1.076 -0.471 1.00 0.00 C ATOM 609 C ASP A 42 12.017 -1.903 -0.053 1.00 0.00 C ATOM 610 O ASP A 42 10.894 -1.398 -0.003 1.00 0.00 O ATOM 611 CB ASP A 42 13.278 0.223 0.335 1.00 0.00 C ATOM 612 CG ASP A 42 14.003 0.057 1.656 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.239 -0.119 1.636 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.334 0.102 2.710 1.00 0.00 O ATOM 0 H ASP A 42 12.253 -0.634 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 42 14.128 -1.656 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.775 0.994 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.262 0.570 0.523 1.00 0.00 H new ATOM 619 N LEU A 43 12.250 -3.176 0.245 1.00 0.00 N ATOM 620 CA LEU A 43 11.178 -4.075 0.657 1.00 0.00 C ATOM 621 C LEU A 43 11.536 -4.790 1.956 1.00 0.00 C ATOM 622 O LEU A 43 12.431 -5.635 1.984 1.00 0.00 O ATOM 623 CB LEU A 43 10.894 -5.100 -0.441 1.00 0.00 C ATOM 624 CG LEU A 43 10.156 -6.366 -0.004 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.885 -6.010 0.751 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.836 -7.240 -1.208 1.00 0.00 C ATOM 0 H LEU A 43 13.173 -3.609 0.209 1.00 0.00 H new ATOM 0 HA LEU A 43 10.282 -3.478 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.309 -4.614 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.843 -5.394 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 43 10.806 -6.929 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.374 -6.924 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.139 -5.426 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.230 -5.425 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.311 -8.136 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.205 -6.685 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.762 -7.525 -1.707 1.00 0.00 H new ATOM 638 N SER A 44 10.830 -4.448 3.029 1.00 0.00 N ATOM 639 CA SER A 44 11.075 -5.056 4.331 1.00 0.00 C ATOM 640 C SER A 44 9.805 -5.700 4.877 1.00 0.00 C ATOM 641 O SER A 44 8.718 -5.130 4.786 1.00 0.00 O ATOM 642 CB SER A 44 11.594 -4.008 5.318 1.00 0.00 C ATOM 643 OG SER A 44 10.699 -2.914 5.417 1.00 0.00 O ATOM 0 H SER A 44 10.084 -3.753 3.022 1.00 0.00 H new ATOM 0 HA SER A 44 11.830 -5.832 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.727 -4.463 6.300 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.573 -3.653 4.995 1.00 0.00 H new ATOM 0 HG SER A 44 11.052 -2.259 6.055 1.00 0.00 H new ATOM 649 N MET A 45 9.950 -6.892 5.446 1.00 0.00 N ATOM 650 CA MET A 45 8.815 -7.614 6.008 1.00 0.00 C ATOM 651 C MET A 45 9.006 -7.849 7.503 1.00 0.00 C ATOM 652 O MET A 45 10.080 -8.259 7.945 1.00 0.00 O ATOM 653 CB MET A 45 8.628 -8.952 5.290 1.00 0.00 C ATOM 654 CG MET A 45 7.756 -8.859 4.049 1.00 0.00 C ATOM 655 SD MET A 45 5.999 -9.027 4.419 1.00 0.00 S ATOM 656 CE MET A 45 5.594 -10.495 3.475 1.00 0.00 C ATOM 0 H MET A 45 10.843 -7.378 5.530 1.00 0.00 H new ATOM 0 HA MET A 45 7.922 -7.005 5.865 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.605 -9.344 5.009 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.185 -9.668 5.982 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.930 -7.901 3.559 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.051 -9.636 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.583 -10.405 3.078 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.299 -10.604 2.651 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.653 -11.371 4.121 1.00 0.00 H new ATOM 666 N ASP A 46 7.959 -7.586 8.278 1.00 0.00 N ATOM 667 CA ASP A 46 8.012 -7.769 9.723 1.00 0.00 C ATOM 668 C ASP A 46 6.999 -8.816 10.176 1.00 0.00 C ATOM 669 O ASP A 46 5.822 -8.524 10.391 1.00 0.00 O ATOM 670 CB ASP A 46 7.747 -6.442 10.437 1.00 0.00 C ATOM 671 CG ASP A 46 8.977 -5.557 10.488 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.787 -5.720 11.424 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.128 -4.700 9.592 1.00 0.00 O ATOM 0 H ASP A 46 7.063 -7.245 7.929 1.00 0.00 H new ATOM 0 HA ASP A 46 9.011 -8.120 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.943 -5.912 9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.404 -6.641 11.452 1.00 0.00 H new ATOM 678 N PRO A 47 7.464 -10.065 10.324 1.00 0.00 N ATOM 679 CA PRO A 47 6.615 -11.180 10.752 1.00 0.00 C ATOM 680 C PRO A 47 5.773 -10.832 11.975 1.00 0.00 C ATOM 681 O PRO A 47 4.585 -11.147 12.050 1.00 0.00 O ATOM 682 CB PRO A 47 7.621 -12.282 11.093 1.00 0.00 C ATOM 683 CG PRO A 47 8.818 -11.972 10.262 1.00 0.00 C ATOM 684 CD PRO A 47 8.855 -10.485 10.086 1.00 0.00 C ATOM 0 HA PRO A 47 5.896 -11.463 9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.865 -12.280 12.155 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.222 -13.269 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.727 -12.326 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.757 -12.473 9.296 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.540 -10.016 10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.190 -10.209 9.086 1.00 0.00 H new ATOM 692 N PRO A 48 6.399 -10.166 12.956 1.00 0.00 N ATOM 693 CA PRO A 48 5.725 -9.759 14.192 1.00 0.00 C ATOM 694 C PRO A 48 4.387 -9.078 13.927 1.00 0.00 C ATOM 695 O PRO A 48 3.334 -9.585 14.315 1.00 0.00 O ATOM 696 CB PRO A 48 6.710 -8.773 14.825 1.00 0.00 C ATOM 697 CG PRO A 48 8.043 -9.175 14.294 1.00 0.00 C ATOM 698 CD PRO A 48 7.814 -9.757 12.933 1.00 0.00 C ATOM 0 HA PRO A 48 5.488 -10.613 14.826 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.470 -7.745 14.554 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.684 -8.831 15.913 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.711 -8.316 14.239 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.516 -9.905 14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.006 -9.025 12.148 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.472 -10.605 12.745 1.00 0.00 H new ATOM 706 N ARG A 49 4.435 -7.928 13.262 1.00 0.00 N ATOM 707 CA ARG A 49 3.226 -7.178 12.945 1.00 0.00 C ATOM 708 C ARG A 49 2.611 -7.665 11.636 1.00 0.00 C ATOM 709 O ARG A 49 1.563 -7.180 11.213 1.00 0.00 O ATOM 710 CB ARG A 49 3.538 -5.684 12.849 1.00 0.00 C ATOM 711 CG ARG A 49 3.661 -5.000 14.201 1.00 0.00 C ATOM 712 CD ARG A 49 2.298 -4.619 14.759 1.00 0.00 C ATOM 713 NE ARG A 49 1.722 -5.687 15.572 1.00 0.00 N ATOM 714 CZ ARG A 49 2.233 -6.085 16.731 1.00 0.00 C ATOM 715 NH1 ARG A 49 3.325 -5.507 17.212 1.00 0.00 N ATOM 716 NH2 ARG A 49 1.651 -7.064 17.413 1.00 0.00 N ATOM 0 H ARG A 49 5.298 -7.496 12.933 1.00 0.00 H new ATOM 0 HA ARG A 49 2.507 -7.342 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.469 -5.550 12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.753 -5.194 12.273 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.169 -5.663 14.901 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.278 -4.107 14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.392 -3.716 15.361 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.622 -4.385 13.937 1.00 0.00 H new ATOM 0 HE ARG A 49 0.881 -6.153 15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.775 -4.754 16.691 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.715 -5.815 18.103 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.811 -7.511 17.047 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.044 -7.369 18.303 1.00 0.00 H new ATOM 730 N ASN A 50 3.273 -8.627 10.999 1.00 0.00 N ATOM 731 CA ASN A 50 2.792 -9.178 9.738 1.00 0.00 C ATOM 732 C ASN A 50 2.591 -8.075 8.703 1.00 0.00 C ATOM 733 O ASN A 50 1.653 -8.121 7.906 1.00 0.00 O ATOM 734 CB ASN A 50 1.480 -9.934 9.955 1.00 0.00 C ATOM 735 CG ASN A 50 1.535 -10.855 11.159 1.00 0.00 C ATOM 736 OD1 ASN A 50 0.918 -10.585 12.189 1.00 0.00 O ATOM 737 ND2 ASN A 50 2.277 -11.949 11.033 1.00 0.00 N ATOM 0 H ASN A 50 4.143 -9.040 11.336 1.00 0.00 H new ATOM 0 HA ASN A 50 3.545 -9.871 9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.669 -9.218 10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.249 -10.518 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.353 -12.606 11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.771 -12.132 10.160 1.00 0.00 H new ATOM 744 N CYS A 51 3.478 -7.087 8.721 1.00 0.00 N ATOM 745 CA CYS A 51 3.399 -5.971 7.784 1.00 0.00 C ATOM 746 C CYS A 51 4.573 -5.995 6.811 1.00 0.00 C ATOM 747 O CYS A 51 5.437 -6.867 6.886 1.00 0.00 O ATOM 748 CB CYS A 51 3.375 -4.643 8.541 1.00 0.00 C ATOM 749 SG CYS A 51 4.947 -4.211 9.324 1.00 0.00 S ATOM 0 H CYS A 51 4.260 -7.035 9.374 1.00 0.00 H new ATOM 0 HA CYS A 51 2.476 -6.072 7.214 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.095 -3.848 7.850 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.600 -4.687 9.306 1.00 0.00 H new ATOM 0 HG CYS A 51 5.538 -3.285 8.629 1.00 0.00 H new ATOM 755 N ALA A 52 4.596 -5.030 5.896 1.00 0.00 N ATOM 756 CA ALA A 52 5.664 -4.940 4.908 1.00 0.00 C ATOM 757 C ALA A 52 5.741 -3.539 4.311 1.00 0.00 C ATOM 758 O ALA A 52 4.722 -2.949 3.951 1.00 0.00 O ATOM 759 CB ALA A 52 5.456 -5.973 3.811 1.00 0.00 C ATOM 0 H ALA A 52 3.887 -4.300 5.819 1.00 0.00 H new ATOM 0 HA ALA A 52 6.609 -5.145 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.261 -5.895 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.458 -6.972 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.500 -5.794 3.319 1.00 0.00 H new ATOM 765 N PHE A 53 6.957 -3.011 4.209 1.00 0.00 N ATOM 766 CA PHE A 53 7.167 -1.678 3.656 1.00 0.00 C ATOM 767 C PHE A 53 7.822 -1.756 2.280 1.00 0.00 C ATOM 768 O PHE A 53 9.012 -2.047 2.162 1.00 0.00 O ATOM 769 CB PHE A 53 8.035 -0.843 4.600 1.00 0.00 C ATOM 770 CG PHE A 53 7.515 -0.795 6.008 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.824 -1.801 6.909 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.718 0.257 6.430 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.346 -1.759 8.205 1.00 0.00 C ATOM 774 CE2 PHE A 53 6.237 0.304 7.726 1.00 0.00 C ATOM 775 CZ PHE A 53 6.553 -0.705 8.614 1.00 0.00 C ATOM 0 H PHE A 53 7.811 -3.486 4.502 1.00 0.00 H new ATOM 0 HA PHE A 53 6.194 -1.199 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.045 -1.252 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.105 0.173 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.445 -2.627 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.470 1.049 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.593 -2.550 8.898 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.615 1.128 8.043 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.180 -0.670 9.627 1.00 0.00 H new ATOM 785 N VAL A 54 7.034 -1.496 1.241 1.00 0.00 N ATOM 786 CA VAL A 54 7.536 -1.537 -0.127 1.00 0.00 C ATOM 787 C VAL A 54 7.709 -0.131 -0.691 1.00 0.00 C ATOM 788 O VAL A 54 6.758 0.650 -0.746 1.00 0.00 O ATOM 789 CB VAL A 54 6.594 -2.335 -1.047 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.138 -2.372 -2.467 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.391 -3.743 -0.509 1.00 0.00 C ATOM 0 H VAL A 54 6.046 -1.255 1.321 1.00 0.00 H new ATOM 0 HA VAL A 54 8.506 -2.034 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 54 5.626 -1.835 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.459 -2.940 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.227 -1.355 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.119 -2.847 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.723 -4.293 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.352 -4.255 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.953 -3.692 0.488 1.00 0.00 H new ATOM 801 N THR A 55 8.929 0.187 -1.111 1.00 0.00 N ATOM 802 CA THR A 55 9.227 1.499 -1.671 1.00 0.00 C ATOM 803 C THR A 55 9.396 1.426 -3.184 1.00 0.00 C ATOM 804 O THR A 55 10.099 0.557 -3.699 1.00 0.00 O ATOM 805 CB THR A 55 10.505 2.097 -1.052 1.00 0.00 C ATOM 806 OG1 THR A 55 10.285 2.399 0.330 1.00 0.00 O ATOM 807 CG2 THR A 55 10.926 3.358 -1.791 1.00 0.00 C ATOM 0 H THR A 55 9.727 -0.447 -1.074 1.00 0.00 H new ATOM 0 HA THR A 55 8.381 2.143 -1.433 1.00 0.00 H new ATOM 0 HB THR A 55 11.303 1.360 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.102 2.777 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.830 3.762 -1.336 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.122 3.119 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.128 4.098 -1.731 1.00 0.00 H new ATOM 815 N TYR A 56 8.747 2.344 -3.892 1.00 0.00 N ATOM 816 CA TYR A 56 8.823 2.383 -5.347 1.00 0.00 C ATOM 817 C TYR A 56 9.827 3.434 -5.812 1.00 0.00 C ATOM 818 O TYR A 56 9.995 4.472 -5.173 1.00 0.00 O ATOM 819 CB TYR A 56 7.446 2.677 -5.944 1.00 0.00 C ATOM 820 CG TYR A 56 6.521 1.481 -5.950 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.963 0.239 -6.389 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.205 1.593 -5.518 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.122 -0.857 -6.398 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.357 0.502 -5.522 1.00 0.00 C ATOM 825 CZ TYR A 56 4.820 -0.720 -5.963 1.00 0.00 C ATOM 826 OH TYR A 56 3.978 -1.808 -5.969 1.00 0.00 O ATOM 0 H TYR A 56 8.162 3.072 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 56 9.160 1.406 -5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.979 3.484 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.571 3.034 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.982 0.128 -6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.839 2.549 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.482 -1.815 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.337 0.606 -5.182 1.00 0.00 H new ATOM 0 HH TYR A 56 4.305 -2.471 -6.612 1.00 0.00 H new ATOM 836 N GLU A 57 10.489 3.156 -6.931 1.00 0.00 N ATOM 837 CA GLU A 57 11.476 4.078 -7.482 1.00 0.00 C ATOM 838 C GLU A 57 10.847 5.436 -7.777 1.00 0.00 C ATOM 839 O GLU A 57 11.535 6.456 -7.821 1.00 0.00 O ATOM 840 CB GLU A 57 12.088 3.499 -8.760 1.00 0.00 C ATOM 841 CG GLU A 57 12.938 4.495 -9.532 1.00 0.00 C ATOM 842 CD GLU A 57 13.781 3.833 -10.605 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.903 3.387 -10.288 1.00 0.00 O ATOM 844 OE2 GLU A 57 13.317 3.761 -11.762 1.00 0.00 O ATOM 0 H GLU A 57 10.360 2.302 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 57 12.262 4.215 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.700 2.635 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.287 3.140 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.290 5.240 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.590 5.025 -8.838 1.00 0.00 H new ATOM 851 N LYS A 58 9.533 5.443 -7.978 1.00 0.00 N ATOM 852 CA LYS A 58 8.809 6.674 -8.267 1.00 0.00 C ATOM 853 C LYS A 58 7.613 6.835 -7.334 1.00 0.00 C ATOM 854 O LYS A 58 7.242 5.903 -6.621 1.00 0.00 O ATOM 855 CB LYS A 58 8.337 6.683 -9.723 1.00 0.00 C ATOM 856 CG LYS A 58 9.471 6.591 -10.730 1.00 0.00 C ATOM 857 CD LYS A 58 10.013 7.965 -11.087 1.00 0.00 C ATOM 858 CE LYS A 58 11.434 7.882 -11.623 1.00 0.00 C ATOM 859 NZ LYS A 58 11.933 9.208 -12.079 1.00 0.00 N ATOM 0 H LYS A 58 8.948 4.608 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 58 9.489 7.511 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.654 5.848 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.772 7.596 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.274 5.978 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.118 6.093 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.368 8.429 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.992 8.606 -10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.093 7.494 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.468 7.176 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.904 9.109 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.319 9.568 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.924 9.875 -11.281 1.00 0.00 H new ATOM 873 N MET A 59 7.014 8.021 -7.345 1.00 0.00 N ATOM 874 CA MET A 59 5.858 8.301 -6.501 1.00 0.00 C ATOM 875 C MET A 59 4.578 7.769 -7.138 1.00 0.00 C ATOM 876 O MET A 59 3.751 7.153 -6.467 1.00 0.00 O ATOM 877 CB MET A 59 5.732 9.806 -6.255 1.00 0.00 C ATOM 878 CG MET A 59 5.503 10.612 -7.523 1.00 0.00 C ATOM 879 SD MET A 59 6.129 12.298 -7.398 1.00 0.00 S ATOM 880 CE MET A 59 5.254 12.877 -5.946 1.00 0.00 C ATOM 0 H MET A 59 7.310 8.803 -7.929 1.00 0.00 H new ATOM 0 HA MET A 59 6.005 7.795 -5.547 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.906 9.985 -5.566 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.638 10.163 -5.766 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.988 10.110 -8.360 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.436 10.640 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.549 13.903 -5.728 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.180 12.840 -6.129 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.499 12.241 -5.096 1.00 0.00 H new ATOM 890 N GLU A 60 4.422 8.012 -8.435 1.00 0.00 N ATOM 891 CA GLU A 60 3.242 7.558 -9.161 1.00 0.00 C ATOM 892 C GLU A 60 2.826 6.163 -8.704 1.00 0.00 C ATOM 893 O GLU A 60 1.651 5.910 -8.437 1.00 0.00 O ATOM 894 CB GLU A 60 3.512 7.554 -10.667 1.00 0.00 C ATOM 895 CG GLU A 60 4.652 6.638 -11.079 1.00 0.00 C ATOM 896 CD GLU A 60 5.092 6.863 -12.513 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.698 7.919 -12.788 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.829 5.983 -13.359 1.00 0.00 O ATOM 0 H GLU A 60 5.098 8.521 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 60 2.427 8.250 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.605 7.249 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.739 8.570 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.500 6.798 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.342 5.600 -10.957 1.00 0.00 H new ATOM 905 N SER A 61 3.799 5.261 -8.617 1.00 0.00 N ATOM 906 CA SER A 61 3.534 3.890 -8.196 1.00 0.00 C ATOM 907 C SER A 61 2.874 3.861 -6.821 1.00 0.00 C ATOM 908 O SER A 61 1.852 3.205 -6.625 1.00 0.00 O ATOM 909 CB SER A 61 4.834 3.083 -8.168 1.00 0.00 C ATOM 910 OG SER A 61 5.477 3.108 -9.430 1.00 0.00 O ATOM 0 H SER A 61 4.777 5.455 -8.832 1.00 0.00 H new ATOM 0 HA SER A 61 2.851 3.440 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.502 3.489 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.620 2.052 -7.886 1.00 0.00 H new ATOM 0 HG SER A 61 6.306 2.587 -9.385 1.00 0.00 H new ATOM 916 N ALA A 62 3.467 4.577 -5.872 1.00 0.00 N ATOM 917 CA ALA A 62 2.937 4.636 -4.516 1.00 0.00 C ATOM 918 C ALA A 62 1.413 4.689 -4.523 1.00 0.00 C ATOM 919 O ALA A 62 0.749 3.803 -3.984 1.00 0.00 O ATOM 920 CB ALA A 62 3.505 5.840 -3.779 1.00 0.00 C ATOM 0 H ALA A 62 4.315 5.125 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 62 3.240 3.728 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.100 5.871 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.591 5.759 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.231 6.753 -4.308 1.00 0.00 H new ATOM 926 N ASP A 63 0.866 5.732 -5.137 1.00 0.00 N ATOM 927 CA ASP A 63 -0.581 5.900 -5.215 1.00 0.00 C ATOM 928 C ASP A 63 -1.217 4.766 -6.012 1.00 0.00 C ATOM 929 O ASP A 63 -2.261 4.236 -5.631 1.00 0.00 O ATOM 930 CB ASP A 63 -0.926 7.246 -5.855 1.00 0.00 C ATOM 931 CG ASP A 63 -2.332 7.275 -6.419 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.583 6.578 -7.424 1.00 0.00 O ATOM 933 OD2 ASP A 63 -3.183 7.997 -5.857 1.00 0.00 O ATOM 0 H ASP A 63 1.402 6.474 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.980 5.876 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.819 8.036 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.214 7.459 -6.652 1.00 0.00 H new ATOM 938 N GLN A 64 -0.582 4.400 -7.121 1.00 0.00 N ATOM 939 CA GLN A 64 -1.088 3.329 -7.973 1.00 0.00 C ATOM 940 C GLN A 64 -1.325 2.057 -7.165 1.00 0.00 C ATOM 941 O GLN A 64 -2.462 1.614 -7.006 1.00 0.00 O ATOM 942 CB GLN A 64 -0.107 3.049 -9.112 1.00 0.00 C ATOM 943 CG GLN A 64 -0.192 4.055 -10.249 1.00 0.00 C ATOM 944 CD GLN A 64 0.247 3.472 -11.578 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.013 2.508 -11.623 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.236 4.054 -12.669 1.00 0.00 N ATOM 0 H GLN A 64 0.283 4.829 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.040 3.652 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.908 3.048 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.296 2.051 -9.506 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.217 4.414 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.430 4.919 -10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.868 4.850 -12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.025 3.705 -13.591 1.00 0.00 H new ATOM 955 N ALA A 65 -0.244 1.474 -6.658 1.00 0.00 N ATOM 956 CA ALA A 65 -0.335 0.254 -5.866 1.00 0.00 C ATOM 957 C ALA A 65 -1.395 0.384 -4.777 1.00 0.00 C ATOM 958 O ALA A 65 -2.378 -0.358 -4.763 1.00 0.00 O ATOM 959 CB ALA A 65 1.017 -0.078 -5.251 1.00 0.00 C ATOM 0 H ALA A 65 0.705 1.827 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.630 -0.559 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.934 -0.992 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.752 -0.222 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.335 0.742 -4.606 1.00 0.00 H new ATOM 965 N VAL A 66 -1.189 1.330 -3.867 1.00 0.00 N ATOM 966 CA VAL A 66 -2.128 1.556 -2.774 1.00 0.00 C ATOM 967 C VAL A 66 -3.560 1.648 -3.290 1.00 0.00 C ATOM 968 O VAL A 66 -4.515 1.454 -2.539 1.00 0.00 O ATOM 969 CB VAL A 66 -1.789 2.845 -2.001 1.00 0.00 C ATOM 970 CG1 VAL A 66 -2.989 3.313 -1.192 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.582 2.624 -1.102 1.00 0.00 C ATOM 0 H VAL A 66 -0.381 1.952 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.041 0.703 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.540 3.625 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.731 4.224 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.825 3.512 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.272 2.538 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.356 3.544 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.801 1.830 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.277 2.339 -1.710 1.00 0.00 H new ATOM 981 N ALA A 67 -3.701 1.945 -4.578 1.00 0.00 N ATOM 982 CA ALA A 67 -5.016 2.060 -5.196 1.00 0.00 C ATOM 983 C ALA A 67 -5.530 0.698 -5.651 1.00 0.00 C ATOM 984 O ALA A 67 -6.728 0.426 -5.593 1.00 0.00 O ATOM 985 CB ALA A 67 -4.965 3.027 -6.369 1.00 0.00 C ATOM 0 H ALA A 67 -2.920 2.110 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.709 2.449 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.954 3.103 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.650 4.009 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.254 2.662 -7.111 1.00 0.00 H new ATOM 991 N GLU A 68 -4.614 -0.153 -6.105 1.00 0.00 N ATOM 992 CA GLU A 68 -4.977 -1.486 -6.573 1.00 0.00 C ATOM 993 C GLU A 68 -4.743 -2.527 -5.482 1.00 0.00 C ATOM 994 O GLU A 68 -5.663 -3.241 -5.082 1.00 0.00 O ATOM 995 CB GLU A 68 -4.170 -1.849 -7.821 1.00 0.00 C ATOM 996 CG GLU A 68 -4.276 -0.822 -8.935 1.00 0.00 C ATOM 997 CD GLU A 68 -4.101 -1.434 -10.312 1.00 0.00 C ATOM 998 OE1 GLU A 68 -3.446 -2.492 -10.412 1.00 0.00 O ATOM 999 OE2 GLU A 68 -4.619 -0.853 -11.289 1.00 0.00 O ATOM 0 H GLU A 68 -3.617 0.057 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.038 -1.480 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.122 -1.966 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.510 -2.815 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.248 -0.331 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.521 -0.050 -8.786 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.506 -2.607 -5.004 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.150 -3.561 -3.959 1.00 0.00 C ATOM 1008 C LEU A 69 -4.057 -3.400 -2.743 1.00 0.00 C ATOM 1009 O LEU A 69 -4.131 -4.285 -1.891 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.688 -3.374 -3.548 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.641 -3.838 -4.561 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.702 -4.050 -3.880 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.098 -5.115 -5.253 1.00 0.00 C ATOM 0 H LEU A 69 -2.733 -2.023 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.283 -4.567 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.522 -2.317 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.523 -3.910 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.524 -3.061 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.435 -4.380 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.034 -3.114 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.601 -4.808 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.341 -5.431 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.244 -5.899 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.037 -4.930 -5.774 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.746 -2.266 -2.671 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.650 -1.991 -1.560 1.00 0.00 C ATOM 1027 C ASN A 70 -6.806 -2.986 -1.540 1.00 0.00 C ATOM 1028 O ASN A 70 -7.654 -2.988 -2.432 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.193 -0.564 -1.659 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.582 -0.431 -1.065 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.889 -1.033 -0.037 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.428 0.361 -1.713 1.00 0.00 N ATOM 0 H ASN A 70 -4.696 -1.523 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.088 -2.096 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.514 0.116 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.218 -0.259 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.377 0.490 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.129 0.840 -2.562 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.834 -3.832 -0.514 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.891 -4.820 -0.396 1.00 0.00 C ATOM 1041 C GLY A 71 -7.861 -5.837 -1.520 1.00 0.00 C ATOM 1042 O GLY A 71 -8.846 -6.536 -1.762 1.00 0.00 O ATOM 0 H GLY A 71 -6.144 -3.851 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.797 -5.336 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.857 -4.315 -0.392 1.00 0.00 H new ATOM 1046 N THR A 72 -6.728 -5.921 -2.211 1.00 0.00 N ATOM 1047 CA THR A 72 -6.575 -6.858 -3.317 1.00 0.00 C ATOM 1048 C THR A 72 -6.254 -8.259 -2.810 1.00 0.00 C ATOM 1049 O THR A 72 -5.635 -8.421 -1.758 1.00 0.00 O ATOM 1050 CB THR A 72 -5.465 -6.407 -4.285 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.717 -6.927 -5.595 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.102 -6.877 -3.801 1.00 0.00 C ATOM 0 H THR A 72 -5.903 -5.351 -2.024 1.00 0.00 H new ATOM 0 HA THR A 72 -7.526 -6.877 -3.850 1.00 0.00 H new ATOM 0 HB THR A 72 -5.465 -5.318 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.008 -6.635 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.334 -6.547 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.901 -6.456 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.093 -7.965 -3.739 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.677 -9.268 -3.564 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.434 -10.656 -3.190 1.00 0.00 C ATOM 1062 C GLN A 73 -5.454 -11.316 -4.154 1.00 0.00 C ATOM 1063 O GLN A 73 -5.839 -11.777 -5.229 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.748 -11.438 -3.166 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.650 -12.771 -2.442 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.008 -13.355 -2.107 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.893 -12.655 -1.616 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.180 -14.645 -2.373 1.00 0.00 N ATOM 0 H GLN A 73 -7.190 -9.150 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.996 -10.665 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.515 -10.829 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.075 -11.614 -4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.098 -13.477 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.079 -12.640 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.418 -15.188 -2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.074 -15.093 -2.170 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.184 -11.357 -3.764 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.148 -11.961 -4.593 1.00 0.00 C ATOM 1079 C VAL A 74 -2.563 -13.201 -3.926 1.00 0.00 C ATOM 1080 O VAL A 74 -2.378 -13.234 -2.710 1.00 0.00 O ATOM 1081 CB VAL A 74 -2.010 -10.965 -4.885 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.576 -9.611 -5.287 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.095 -10.832 -3.677 1.00 0.00 C ATOM 0 H VAL A 74 -3.848 -10.979 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.622 -12.246 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.420 -11.348 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.758 -8.920 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.186 -9.723 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.190 -9.218 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.297 -10.124 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.669 -10.472 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.662 -11.804 -3.440 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.274 -14.219 -4.731 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.711 -15.462 -4.218 1.00 0.00 C ATOM 1095 C GLU A 75 -2.594 -16.048 -3.120 1.00 0.00 C ATOM 1096 O GLU A 75 -2.107 -16.702 -2.199 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.299 -15.223 -3.678 1.00 0.00 C ATOM 1098 CG GLU A 75 0.659 -14.651 -4.709 1.00 0.00 C ATOM 1099 CD GLU A 75 1.101 -15.682 -5.729 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.225 -16.345 -6.322 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.325 -15.824 -5.935 1.00 0.00 O ATOM 0 H GLU A 75 -2.421 -14.207 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.663 -16.175 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.354 -14.542 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.102 -16.165 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.179 -13.819 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.536 -14.249 -4.201 1.00 0.00 H new ATOM 1108 N SER A 76 -3.897 -15.807 -3.226 1.00 0.00 N ATOM 1109 CA SER A 76 -4.850 -16.306 -2.241 1.00 0.00 C ATOM 1110 C SER A 76 -4.641 -15.626 -0.891 1.00 0.00 C ATOM 1111 O SER A 76 -4.953 -16.193 0.157 1.00 0.00 O ATOM 1112 CB SER A 76 -4.711 -17.822 -2.089 1.00 0.00 C ATOM 1113 OG SER A 76 -4.782 -18.469 -3.347 1.00 0.00 O ATOM 0 H SER A 76 -4.317 -15.269 -3.984 1.00 0.00 H new ATOM 0 HA SER A 76 -5.855 -16.074 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.761 -18.057 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.499 -18.199 -1.438 1.00 0.00 H new ATOM 0 HG SER A 76 -4.689 -19.437 -3.223 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.111 -14.408 -0.925 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.861 -13.649 0.295 1.00 0.00 C ATOM 1121 C VAL A 77 -4.293 -12.196 0.137 1.00 0.00 C ATOM 1122 O VAL A 77 -3.842 -11.501 -0.773 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.372 -13.692 0.687 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.049 -12.583 1.678 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -2.012 -15.053 1.262 1.00 0.00 C ATOM 0 H VAL A 77 -3.846 -13.925 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.450 -14.115 1.085 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.773 -13.532 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.993 -12.629 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.268 -11.616 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.655 -12.709 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.956 -15.066 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.617 -15.245 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.204 -15.825 0.517 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.168 -11.743 1.028 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.661 -10.371 0.987 1.00 0.00 C ATOM 1137 C GLN A 78 -4.610 -9.399 1.513 1.00 0.00 C ATOM 1138 O GLN A 78 -4.307 -9.383 2.707 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.946 -10.244 1.805 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.208 -10.514 1.003 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.327 -11.087 1.850 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -10.240 -10.371 2.261 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.263 -12.387 2.115 1.00 0.00 N ATOM 0 H GLN A 78 -5.551 -12.306 1.788 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.874 -10.119 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.903 -10.939 2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.001 -9.240 2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.546 -9.586 0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.978 -11.208 0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.488 -12.944 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.989 -12.829 2.679 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.056 -8.591 0.615 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.038 -7.616 0.989 1.00 0.00 C ATOM 1154 C LEU A 79 -3.651 -6.230 1.167 1.00 0.00 C ATOM 1155 O LEU A 79 -4.481 -5.799 0.367 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.937 -7.567 -0.072 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.971 -8.752 -0.092 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.216 -8.457 -0.996 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.501 -9.081 1.317 1.00 0.00 C ATOM 0 H LEU A 79 -4.295 -8.592 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.604 -7.926 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.408 -7.491 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.359 -6.655 0.075 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.498 -9.619 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.893 -9.311 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.137 -8.271 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.744 -7.577 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.186 -9.927 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.009 -8.216 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.360 -9.336 1.937 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.235 -5.536 2.221 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.739 -4.198 2.504 1.00 0.00 C ATOM 1173 C LYS A 80 -2.608 -3.174 2.480 1.00 0.00 C ATOM 1174 O LYS A 80 -1.756 -3.154 3.368 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.437 -4.170 3.865 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.923 -4.476 3.793 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.542 -4.564 5.178 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.488 -5.983 5.722 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.385 -6.161 6.898 1.00 0.00 N ATOM 0 H LYS A 80 -2.549 -5.879 2.894 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.459 -3.937 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.957 -4.893 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.298 -3.187 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.428 -3.701 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.076 -5.417 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.016 -3.893 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.578 -4.228 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.774 -6.684 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.464 -6.224 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.320 -7.141 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.096 -5.510 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.366 -5.956 6.620 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.607 -2.324 1.458 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.583 -1.296 1.320 1.00 0.00 C ATOM 1195 C VAL A 81 -2.141 0.084 1.650 1.00 0.00 C ATOM 1196 O VAL A 81 -3.322 0.354 1.437 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.998 -1.273 -0.105 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.293 -0.469 -0.140 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.768 -2.690 -0.608 1.00 0.00 C ATOM 0 H VAL A 81 -3.304 -2.327 0.713 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.790 -1.543 2.026 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.716 -0.789 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.691 -0.464 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.093 0.555 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.021 -0.921 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.355 -2.656 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.069 -3.202 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.715 -3.229 -0.623 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.283 0.954 2.172 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.690 2.308 2.532 1.00 0.00 C ATOM 1211 C ASN A 82 -0.508 3.269 2.461 1.00 0.00 C ATOM 1212 O ASN A 82 0.629 2.893 2.748 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.291 2.324 3.939 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.334 3.412 4.110 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.250 3.542 3.297 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -3.198 4.200 5.170 1.00 0.00 N ATOM 0 H ASN A 82 -0.301 0.746 2.355 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.445 2.636 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.743 1.355 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.495 2.469 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.869 4.950 5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.423 4.055 5.817 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.784 4.511 2.077 1.00 0.00 N ATOM 1224 CA ILE A 83 0.257 5.526 1.970 1.00 0.00 C ATOM 1225 C ILE A 83 0.777 5.927 3.346 1.00 0.00 C ATOM 1226 O ILE A 83 0.150 6.716 4.052 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.256 6.782 1.241 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.964 6.391 -0.057 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.895 7.736 0.957 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.015 6.030 -1.178 1.00 0.00 C ATOM 0 H ILE A 83 -1.719 4.838 1.835 1.00 0.00 H new ATOM 0 HA ILE A 83 1.069 5.086 1.392 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.974 7.291 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.622 5.544 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.597 7.218 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.517 8.619 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.360 8.035 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.634 7.238 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.587 5.763 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.626 6.883 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.601 5.183 -0.875 1.00 0.00 H new ATOM 1242 N ALA A 84 1.928 5.379 3.720 1.00 0.00 N ATOM 1243 CA ALA A 84 2.536 5.683 5.010 1.00 0.00 C ATOM 1244 C ALA A 84 2.497 7.181 5.296 1.00 0.00 C ATOM 1245 O ALA A 84 3.147 7.970 4.611 1.00 0.00 O ATOM 1246 CB ALA A 84 3.968 5.172 5.053 1.00 0.00 C ATOM 0 H ALA A 84 2.459 4.722 3.148 1.00 0.00 H new ATOM 0 HA ALA A 84 1.959 5.177 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.409 5.406 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.974 4.092 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.549 5.651 4.265 1.00 0.00 H new ATOM 1252 N ARG A 85 1.731 7.565 6.312 1.00 0.00 N ATOM 1253 CA ARG A 85 1.606 8.968 6.687 1.00 0.00 C ATOM 1254 C ARG A 85 2.838 9.436 7.457 1.00 0.00 C ATOM 1255 O ARG A 85 3.478 8.655 8.161 1.00 0.00 O ATOM 1256 CB ARG A 85 0.350 9.182 7.533 1.00 0.00 C ATOM 1257 CG ARG A 85 0.384 8.456 8.868 1.00 0.00 C ATOM 1258 CD ARG A 85 -0.744 8.914 9.780 1.00 0.00 C ATOM 1259 NE ARG A 85 -0.672 8.286 11.097 1.00 0.00 N ATOM 1260 CZ ARG A 85 -1.557 8.502 12.063 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -2.576 9.326 11.861 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -1.424 7.894 13.235 1.00 0.00 N ATOM 0 H ARG A 85 1.188 6.924 6.890 1.00 0.00 H new ATOM 0 HA ARG A 85 1.524 9.557 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.221 10.249 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.520 8.846 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.305 7.382 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.343 8.633 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.702 9.997 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.703 8.678 9.318 1.00 0.00 H new ATOM 0 HE ARG A 85 0.100 7.647 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.682 9.796 10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.254 9.490 12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.641 7.260 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.105 8.061 13.976 1.00 0.00 H new ATOM 1276 N LYS A 86 3.165 10.717 7.318 1.00 0.00 N ATOM 1277 CA LYS A 86 4.318 11.291 8.001 1.00 0.00 C ATOM 1278 C LYS A 86 5.596 10.544 7.632 1.00 0.00 C ATOM 1279 O LYS A 86 6.375 10.162 8.504 1.00 0.00 O ATOM 1280 CB LYS A 86 4.111 11.251 9.517 1.00 0.00 C ATOM 1281 CG LYS A 86 3.094 12.262 10.018 1.00 0.00 C ATOM 1282 CD LYS A 86 2.524 11.856 11.367 1.00 0.00 C ATOM 1283 CE LYS A 86 1.265 12.643 11.699 1.00 0.00 C ATOM 1284 NZ LYS A 86 0.073 12.110 10.982 1.00 0.00 N ATOM 0 H LYS A 86 2.647 11.377 6.738 1.00 0.00 H new ATOM 0 HA LYS A 86 4.419 12.328 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.789 10.250 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.066 11.433 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.564 13.242 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.285 12.356 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.297 10.790 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.272 12.019 12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.088 12.608 12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.411 13.690 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.643 12.859 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.354 11.786 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.326 11.312 11.517 1.00 0.00 H new ATOM 1298 N GLN A 87 5.803 10.341 6.335 1.00 0.00 N ATOM 1299 CA GLN A 87 6.988 9.640 5.852 1.00 0.00 C ATOM 1300 C GLN A 87 7.961 10.609 5.189 1.00 0.00 C ATOM 1301 O GLN A 87 7.997 10.752 3.967 1.00 0.00 O ATOM 1302 CB GLN A 87 6.589 8.543 4.863 1.00 0.00 C ATOM 1303 CG GLN A 87 5.625 9.015 3.786 1.00 0.00 C ATOM 1304 CD GLN A 87 5.159 7.888 2.886 1.00 0.00 C ATOM 1305 OE1 GLN A 87 5.665 6.768 2.961 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.187 8.178 2.029 1.00 0.00 N ATOM 0 H GLN A 87 5.167 10.651 5.600 1.00 0.00 H new ATOM 0 HA GLN A 87 7.485 9.184 6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.488 8.150 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.132 7.719 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.759 9.480 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.109 9.782 3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.796 9.120 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.831 7.459 1.399 1.00 0.00 H new ATOM 1315 N PRO A 88 8.770 11.292 6.012 1.00 0.00 N ATOM 1316 CA PRO A 88 9.759 12.259 5.528 1.00 0.00 C ATOM 1317 C PRO A 88 10.913 11.589 4.791 1.00 0.00 C ATOM 1318 O PRO A 88 10.966 10.364 4.686 1.00 0.00 O ATOM 1319 CB PRO A 88 10.260 12.927 6.811 1.00 0.00 C ATOM 1320 CG PRO A 88 10.025 11.917 7.880 1.00 0.00 C ATOM 1321 CD PRO A 88 8.782 11.172 7.480 1.00 0.00 C ATOM 0 HA PRO A 88 9.329 12.956 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.316 13.186 6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.719 13.851 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.874 11.239 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.897 12.398 8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.818 10.130 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.889 11.610 7.926 1.00 0.00 H new ATOM 1329 N MET A 89 11.836 12.400 4.283 1.00 0.00 N ATOM 1330 CA MET A 89 12.990 11.884 3.557 1.00 0.00 C ATOM 1331 C MET A 89 13.633 10.724 4.312 1.00 0.00 C ATOM 1332 O MET A 89 14.368 10.931 5.278 1.00 0.00 O ATOM 1333 CB MET A 89 14.018 12.995 3.334 1.00 0.00 C ATOM 1334 CG MET A 89 13.550 14.070 2.368 1.00 0.00 C ATOM 1335 SD MET A 89 14.699 15.456 2.261 1.00 0.00 S ATOM 1336 CE MET A 89 13.563 16.840 2.267 1.00 0.00 C ATOM 0 H MET A 89 11.807 13.417 4.361 1.00 0.00 H new ATOM 0 HA MET A 89 12.646 11.518 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.255 13.457 4.292 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.941 12.555 2.956 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.422 13.632 1.378 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.573 14.436 2.684 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.125 17.772 2.205 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.892 16.764 1.411 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.980 16.828 3.188 1.00 0.00 H new ATOM 1346 N LEU A 90 13.351 9.505 3.865 1.00 0.00 N ATOM 1347 CA LEU A 90 13.902 8.312 4.499 1.00 0.00 C ATOM 1348 C LEU A 90 15.384 8.156 4.171 1.00 0.00 C ATOM 1349 O LEU A 90 16.213 7.987 5.066 1.00 0.00 O ATOM 1350 CB LEU A 90 13.134 7.069 4.046 1.00 0.00 C ATOM 1351 CG LEU A 90 13.089 5.908 5.040 1.00 0.00 C ATOM 1352 CD1 LEU A 90 12.072 4.867 4.599 1.00 0.00 C ATOM 1353 CD2 LEU A 90 14.467 5.281 5.190 1.00 0.00 C ATOM 0 H LEU A 90 12.745 9.317 3.067 1.00 0.00 H new ATOM 0 HA LEU A 90 13.797 8.423 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.110 7.363 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.579 6.710 3.118 1.00 0.00 H new ATOM 0 HG LEU A 90 12.782 6.297 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.054 4.048 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.084 5.324 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.348 4.481 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.416 4.457 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.803 4.906 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.170 6.030 5.553 1.00 0.00 H new ATOM 1365 N ASP A 91 15.709 8.216 2.885 1.00 0.00 N ATOM 1366 CA ASP A 91 17.091 8.084 2.439 1.00 0.00 C ATOM 1367 C ASP A 91 17.873 9.366 2.710 1.00 0.00 C ATOM 1368 O ASP A 91 17.520 10.436 2.216 1.00 0.00 O ATOM 1369 CB ASP A 91 17.138 7.749 0.947 1.00 0.00 C ATOM 1370 CG ASP A 91 18.548 7.786 0.390 1.00 0.00 C ATOM 1371 OD1 ASP A 91 19.503 7.632 1.180 1.00 0.00 O ATOM 1372 OD2 ASP A 91 18.696 7.967 -0.836 1.00 0.00 O ATOM 0 H ASP A 91 15.034 8.355 2.133 1.00 0.00 H new ATOM 0 HA ASP A 91 17.553 7.272 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.713 6.758 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.515 8.456 0.399 1.00 0.00 H new ATOM 1377 N SER A 92 18.937 9.248 3.498 1.00 0.00 N ATOM 1378 CA SER A 92 19.767 10.397 3.838 1.00 0.00 C ATOM 1379 C SER A 92 21.094 9.949 4.444 1.00 0.00 C ATOM 1380 O SER A 92 21.272 8.780 4.782 1.00 0.00 O ATOM 1381 CB SER A 92 19.030 11.313 4.818 1.00 0.00 C ATOM 1382 OG SER A 92 18.735 10.634 6.026 1.00 0.00 O ATOM 0 H SER A 92 19.244 8.368 3.913 1.00 0.00 H new ATOM 0 HA SER A 92 19.974 10.948 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.641 12.191 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.106 11.670 4.363 1.00 0.00 H new ATOM 0 HG SER A 92 18.266 11.241 6.636 1.00 0.00 H new ATOM 1388 N GLY A 93 22.024 10.890 4.577 1.00 0.00 N ATOM 1389 CA GLY A 93 23.324 10.574 5.141 1.00 0.00 C ATOM 1390 C GLY A 93 24.296 11.732 5.042 1.00 0.00 C ATOM 1391 O GLY A 93 24.187 12.588 4.164 1.00 0.00 O ATOM 0 H GLY A 93 21.901 11.865 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 93 23.204 10.293 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 93 23.740 9.709 4.624 1.00 0.00 H new ATOM 1395 N PRO A 94 25.274 11.770 5.959 1.00 0.00 N ATOM 1396 CA PRO A 94 26.288 12.827 5.993 1.00 0.00 C ATOM 1397 C PRO A 94 27.259 12.737 4.820 1.00 0.00 C ATOM 1398 O PRO A 94 27.673 13.755 4.265 1.00 0.00 O ATOM 1399 CB PRO A 94 27.020 12.576 7.313 1.00 0.00 C ATOM 1400 CG PRO A 94 26.821 11.124 7.586 1.00 0.00 C ATOM 1401 CD PRO A 94 25.464 10.782 7.035 1.00 0.00 C ATOM 0 HA PRO A 94 25.844 13.820 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 94 28.079 12.822 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 94 26.611 13.190 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 94 27.598 10.527 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 94 26.872 10.917 8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 94 25.431 9.761 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 94 24.689 10.863 7.797 1.00 0.00 H new ATOM 1409 N SER A 95 27.617 11.513 4.448 1.00 0.00 N ATOM 1410 CA SER A 95 28.542 11.290 3.342 1.00 0.00 C ATOM 1411 C SER A 95 27.827 10.652 2.156 1.00 0.00 C ATOM 1412 O SER A 95 27.209 9.595 2.284 1.00 0.00 O ATOM 1413 CB SER A 95 29.702 10.399 3.792 1.00 0.00 C ATOM 1414 OG SER A 95 30.838 10.585 2.965 1.00 0.00 O ATOM 0 H SER A 95 27.281 10.660 4.896 1.00 0.00 H new ATOM 0 HA SER A 95 28.935 12.257 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.960 10.627 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.394 9.354 3.763 1.00 0.00 H new ATOM 0 HG SER A 95 31.566 10.006 3.274 1.00 0.00 H new ATOM 1420 N SER A 96 27.916 11.303 1.000 1.00 0.00 N ATOM 1421 CA SER A 96 27.275 10.802 -0.210 1.00 0.00 C ATOM 1422 C SER A 96 28.246 9.960 -1.032 1.00 0.00 C ATOM 1423 O SER A 96 29.273 10.453 -1.496 1.00 0.00 O ATOM 1424 CB SER A 96 26.751 11.966 -1.054 1.00 0.00 C ATOM 1425 OG SER A 96 25.674 12.621 -0.408 1.00 0.00 O ATOM 0 H SER A 96 28.426 12.178 0.876 1.00 0.00 H new ATOM 0 HA SER A 96 26.437 10.171 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.556 12.678 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 96 26.425 11.596 -2.026 1.00 0.00 H new ATOM 0 HG SER A 96 25.359 13.362 -0.967 1.00 0.00 H new ATOM 1431 N GLY A 97 27.913 8.685 -1.207 1.00 0.00 N ATOM 1432 CA GLY A 97 28.765 7.793 -1.971 1.00 0.00 C ATOM 1433 C GLY A 97 27.998 7.022 -3.027 1.00 0.00 C ATOM 1434 O GLY A 97 28.593 6.353 -3.872 1.00 0.00 O ATOM 0 H GLY A 97 27.068 8.254 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 97 29.555 8.372 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 97 29.251 7.091 -1.294 1.00 0.00 H new TER 1438 GLY A 97