USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 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 180:sc= 0 USER MOD Set 1.2: A 55 THR OG1 : rot -171:sc= -0.92 USER MOD Set 2.1: A 19 TYR OH : rot 26:sc= 0.362 USER MOD Set 2.2: A 51 CYS SG : rot 54:sc= 0.53 USER MOD Set 3.1: A 25 MET CE :methyl 177:sc= -1.57 (180deg=-1.49) USER MOD Set 3.2: A 45 MET CE :methyl -141:sc= -3.77 (180deg=-7.56!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.1 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -105:sc= -0.276 (180deg=-1.72!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0571 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=-0.0039) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 122:sc= 0.339! USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0569 (180deg=-0.398) USER MOD Single : A 59 MET CE :methyl -146:sc= -0.139 (180deg=-1.04) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 70 ASN : amide:sc= -0.865 K(o=-0.87,f=-1.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 76 SER OG : rot -53:sc= 0.0721 USER MOD Single : A 78 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -106:sc= -1.49 (180deg=-5.15!) USER MOD Single : A 82 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -3.1! C(o=-3.1!,f=-12!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0694 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 -17.577 -11.287 12.158 1.00 0.00 N ATOM 2 CA GLY A 1 -16.973 -10.187 11.429 1.00 0.00 C ATOM 3 C GLY A 1 -16.197 -9.250 12.334 1.00 0.00 C ATOM 4 O GLY A 1 -16.230 -9.387 13.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.158 -12.185 11.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.405 -11.165 13.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.601 -11.301 11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.306 -10.585 10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.752 -9.626 10.912 1.00 0.00 H new ATOM 8 N SER A 2 -15.494 -8.296 11.731 1.00 0.00 N ATOM 9 CA SER A 2 -14.702 -7.335 12.490 1.00 0.00 C ATOM 10 C SER A 2 -14.534 -6.034 11.712 1.00 0.00 C ATOM 11 O SER A 2 -14.165 -6.043 10.538 1.00 0.00 O ATOM 12 CB SER A 2 -13.330 -7.924 12.823 1.00 0.00 C ATOM 13 OG SER A 2 -12.454 -6.928 13.322 1.00 0.00 O ATOM 0 H SER A 2 -15.457 -8.168 10.720 1.00 0.00 H new ATOM 0 HA SER A 2 -15.231 -7.117 13.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.441 -8.718 13.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.899 -8.377 11.930 1.00 0.00 H new ATOM 0 HG SER A 2 -11.585 -7.331 13.529 1.00 0.00 H new ATOM 19 N SER A 3 -14.808 -4.915 12.375 1.00 0.00 N ATOM 20 CA SER A 3 -14.692 -3.605 11.746 1.00 0.00 C ATOM 21 C SER A 3 -14.070 -2.595 12.706 1.00 0.00 C ATOM 22 O SER A 3 -14.046 -2.806 13.917 1.00 0.00 O ATOM 23 CB SER A 3 -16.066 -3.112 11.288 1.00 0.00 C ATOM 24 OG SER A 3 -17.009 -3.177 12.344 1.00 0.00 O ATOM 0 H SER A 3 -15.112 -4.890 13.348 1.00 0.00 H new ATOM 0 HA SER A 3 -14.041 -3.703 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.987 -2.086 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.412 -3.717 10.450 1.00 0.00 H new ATOM 0 HG SER A 3 -17.878 -2.855 12.026 1.00 0.00 H new ATOM 30 N GLY A 4 -13.568 -1.495 12.153 1.00 0.00 N ATOM 31 CA GLY A 4 -12.952 -0.467 12.973 1.00 0.00 C ATOM 32 C GLY A 4 -11.684 0.086 12.353 1.00 0.00 C ATOM 33 O GLY A 4 -10.933 -0.642 11.705 1.00 0.00 O ATOM 0 H GLY A 4 -13.577 -1.297 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.662 0.346 13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.723 -0.879 13.956 1.00 0.00 H new ATOM 37 N SER A 5 -11.446 1.379 12.552 1.00 0.00 N ATOM 38 CA SER A 5 -10.263 2.031 12.003 1.00 0.00 C ATOM 39 C SER A 5 -9.564 2.872 13.067 1.00 0.00 C ATOM 40 O SER A 5 -10.068 3.031 14.179 1.00 0.00 O ATOM 41 CB SER A 5 -10.646 2.912 10.812 1.00 0.00 C ATOM 42 OG SER A 5 -9.539 3.117 9.953 1.00 0.00 O ATOM 0 H SER A 5 -12.056 1.995 13.089 1.00 0.00 H new ATOM 0 HA SER A 5 -9.575 1.256 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.459 2.445 10.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.015 3.873 11.170 1.00 0.00 H new ATOM 0 HG SER A 5 -9.810 3.681 9.199 1.00 0.00 H new ATOM 48 N SER A 6 -8.398 3.408 12.718 1.00 0.00 N ATOM 49 CA SER A 6 -7.627 4.229 13.643 1.00 0.00 C ATOM 50 C SER A 6 -8.194 5.643 13.716 1.00 0.00 C ATOM 51 O SER A 6 -8.443 6.169 14.801 1.00 0.00 O ATOM 52 CB SER A 6 -6.159 4.278 13.212 1.00 0.00 C ATOM 53 OG SER A 6 -5.443 3.164 13.715 1.00 0.00 O ATOM 0 H SER A 6 -7.967 3.288 11.801 1.00 0.00 H new ATOM 0 HA SER A 6 -7.693 3.778 14.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.096 4.293 12.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.702 5.200 13.571 1.00 0.00 H new ATOM 0 HG SER A 6 -4.509 3.217 13.425 1.00 0.00 H new ATOM 59 N GLY A 7 -8.396 6.255 12.553 1.00 0.00 N ATOM 60 CA GLY A 7 -8.932 7.603 12.507 1.00 0.00 C ATOM 61 C GLY A 7 -8.220 8.475 11.492 1.00 0.00 C ATOM 62 O GLY A 7 -7.702 9.538 11.834 1.00 0.00 O ATOM 0 H GLY A 7 -8.198 5.841 11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.994 7.561 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.849 8.058 13.494 1.00 0.00 H new ATOM 66 N GLU A 8 -8.193 8.025 10.242 1.00 0.00 N ATOM 67 CA GLU A 8 -7.536 8.772 9.176 1.00 0.00 C ATOM 68 C GLU A 8 -8.449 9.871 8.639 1.00 0.00 C ATOM 69 O GLU A 8 -9.312 9.620 7.798 1.00 0.00 O ATOM 70 CB GLU A 8 -7.129 7.832 8.039 1.00 0.00 C ATOM 71 CG GLU A 8 -8.303 7.117 7.391 1.00 0.00 C ATOM 72 CD GLU A 8 -7.891 5.842 6.682 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.050 5.102 7.233 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.409 5.586 5.575 1.00 0.00 O ATOM 0 H GLU A 8 -8.618 7.147 9.943 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.642 9.236 9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.598 8.404 7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.430 7.090 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.045 6.881 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.782 7.787 6.677 1.00 0.00 H new ATOM 81 N ARG A 9 -8.252 11.089 9.134 1.00 0.00 N ATOM 82 CA ARG A 9 -9.058 12.226 8.706 1.00 0.00 C ATOM 83 C ARG A 9 -8.493 12.845 7.431 1.00 0.00 C ATOM 84 O ARG A 9 -9.165 12.891 6.401 1.00 0.00 O ATOM 85 CB ARG A 9 -9.119 13.280 9.813 1.00 0.00 C ATOM 86 CG ARG A 9 -10.298 14.231 9.685 1.00 0.00 C ATOM 87 CD ARG A 9 -10.083 15.237 8.565 1.00 0.00 C ATOM 88 NE ARG A 9 -10.777 16.497 8.819 1.00 0.00 N ATOM 89 CZ ARG A 9 -10.466 17.320 9.814 1.00 0.00 C ATOM 90 NH1 ARG A 9 -9.476 17.018 10.643 1.00 0.00 N ATOM 91 NH2 ARG A 9 -11.144 18.448 9.980 1.00 0.00 N ATOM 0 H ARG A 9 -7.542 11.313 9.831 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.066 11.867 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.172 12.777 10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.195 13.858 9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.207 13.661 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.445 14.759 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.016 15.428 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.435 14.813 7.625 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.543 16.759 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.952 16.152 10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.239 17.652 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.905 18.684 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.904 19.079 10.744 1.00 0.00 H new ATOM 105 N ARG A 10 -7.254 13.320 7.509 1.00 0.00 N ATOM 106 CA ARG A 10 -6.599 13.937 6.362 1.00 0.00 C ATOM 107 C ARG A 10 -5.176 13.410 6.200 1.00 0.00 C ATOM 108 O ARG A 10 -4.356 13.520 7.110 1.00 0.00 O ATOM 109 CB ARG A 10 -6.576 15.459 6.518 1.00 0.00 C ATOM 110 CG ARG A 10 -6.068 16.190 5.286 1.00 0.00 C ATOM 111 CD ARG A 10 -7.118 16.224 4.187 1.00 0.00 C ATOM 112 NE ARG A 10 -8.140 17.237 4.436 1.00 0.00 N ATOM 113 CZ ARG A 10 -8.973 17.686 3.503 1.00 0.00 C ATOM 114 NH1 ARG A 10 -8.905 17.213 2.266 1.00 0.00 N ATOM 115 NH2 ARG A 10 -9.876 18.609 3.807 1.00 0.00 N ATOM 0 H ARG A 10 -6.684 13.289 8.354 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.168 13.679 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.583 15.807 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.947 15.719 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.788 17.209 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.168 15.700 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.635 16.424 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.590 15.245 4.107 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.219 17.621 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.212 16.503 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.546 17.559 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.931 18.975 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.515 18.953 3.090 1.00 0.00 H new ATOM 129 N ALA A 11 -4.892 12.838 5.034 1.00 0.00 N ATOM 130 CA ALA A 11 -3.568 12.296 4.753 1.00 0.00 C ATOM 131 C ALA A 11 -3.131 12.627 3.330 1.00 0.00 C ATOM 132 O ALA A 11 -3.936 12.659 2.399 1.00 0.00 O ATOM 133 CB ALA A 11 -3.557 10.790 4.973 1.00 0.00 C ATOM 0 H ALA A 11 -5.560 12.738 4.270 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.859 12.758 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.562 10.398 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.819 10.572 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.282 10.320 4.309 1.00 0.00 H new ATOM 139 N PRO A 12 -1.826 12.881 3.155 1.00 0.00 N ATOM 140 CA PRO A 12 -1.252 13.214 1.848 1.00 0.00 C ATOM 141 C PRO A 12 -1.248 12.024 0.895 1.00 0.00 C ATOM 142 O PRO A 12 -1.412 10.879 1.317 1.00 0.00 O ATOM 143 CB PRO A 12 0.181 13.633 2.186 1.00 0.00 C ATOM 144 CG PRO A 12 0.489 12.933 3.464 1.00 0.00 C ATOM 145 CD PRO A 12 -0.809 12.861 4.220 1.00 0.00 C ATOM 0 HA PRO A 12 -1.827 13.985 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.875 13.341 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.261 14.714 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.887 11.936 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.243 13.475 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.874 11.954 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.924 13.704 4.902 1.00 0.00 H new ATOM 153 N ARG A 13 -1.060 12.301 -0.391 1.00 0.00 N ATOM 154 CA ARG A 13 -1.036 11.252 -1.403 1.00 0.00 C ATOM 155 C ARG A 13 0.397 10.931 -1.818 1.00 0.00 C ATOM 156 O ARG A 13 0.894 9.831 -1.575 1.00 0.00 O ATOM 157 CB ARG A 13 -1.850 11.676 -2.627 1.00 0.00 C ATOM 158 CG ARG A 13 -3.347 11.739 -2.370 1.00 0.00 C ATOM 159 CD ARG A 13 -4.078 12.434 -3.508 1.00 0.00 C ATOM 160 NE ARG A 13 -3.642 13.818 -3.675 1.00 0.00 N ATOM 161 CZ ARG A 13 -3.914 14.784 -2.806 1.00 0.00 C ATOM 162 NH1 ARG A 13 -4.618 14.520 -1.714 1.00 0.00 N ATOM 163 NH2 ARG A 13 -3.482 16.019 -3.028 1.00 0.00 N ATOM 0 H ARG A 13 -0.922 13.243 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.481 10.355 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.506 12.655 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.659 10.976 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.739 10.729 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.535 12.270 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.909 11.886 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.151 12.413 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.099 14.055 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.952 13.572 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.825 15.265 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.940 16.227 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.692 16.760 -2.360 1.00 0.00 H new ATOM 177 N LYS A 14 1.056 11.898 -2.447 1.00 0.00 N ATOM 178 CA LYS A 14 2.432 11.719 -2.897 1.00 0.00 C ATOM 179 C LYS A 14 3.241 10.932 -1.872 1.00 0.00 C ATOM 180 O LYS A 14 3.112 11.146 -0.667 1.00 0.00 O ATOM 181 CB LYS A 14 3.089 13.079 -3.145 1.00 0.00 C ATOM 182 CG LYS A 14 4.539 12.982 -3.588 1.00 0.00 C ATOM 183 CD LYS A 14 5.082 14.334 -4.019 1.00 0.00 C ATOM 184 CE LYS A 14 4.702 14.654 -5.457 1.00 0.00 C ATOM 185 NZ LYS A 14 3.394 15.361 -5.541 1.00 0.00 N ATOM 0 H LYS A 14 0.660 12.814 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 14 2.413 11.155 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.521 13.615 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.036 13.671 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.144 12.589 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.622 12.276 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.696 15.110 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.167 14.340 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.478 15.272 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.653 13.730 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.664 14.702 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.130 15.715 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.473 16.160 -6.202 1.00 0.00 H new ATOM 199 N GLY A 15 4.077 10.019 -2.359 1.00 0.00 N ATOM 200 CA GLY A 15 4.896 9.215 -1.471 1.00 0.00 C ATOM 201 C GLY A 15 5.661 8.134 -2.209 1.00 0.00 C ATOM 202 O GLY A 15 5.345 7.812 -3.353 1.00 0.00 O ATOM 0 H GLY A 15 4.201 9.822 -3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.600 9.861 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.261 8.754 -0.714 1.00 0.00 H new ATOM 206 N ASN A 16 6.672 7.574 -1.552 1.00 0.00 N ATOM 207 CA ASN A 16 7.486 6.524 -2.155 1.00 0.00 C ATOM 208 C ASN A 16 7.264 5.190 -1.448 1.00 0.00 C ATOM 209 O ASN A 16 7.112 4.151 -2.091 1.00 0.00 O ATOM 210 CB ASN A 16 8.967 6.904 -2.098 1.00 0.00 C ATOM 211 CG ASN A 16 9.373 7.819 -3.237 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.831 8.914 -3.392 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.332 7.375 -4.040 1.00 0.00 N ATOM 0 H ASN A 16 6.947 7.829 -0.603 1.00 0.00 H new ATOM 0 HA ASN A 16 7.184 6.417 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.177 7.396 -1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.573 5.999 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.648 7.948 -4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.753 6.461 -3.874 1.00 0.00 H new ATOM 220 N THR A 17 7.245 5.227 -0.119 1.00 0.00 N ATOM 221 CA THR A 17 7.042 4.022 0.676 1.00 0.00 C ATOM 222 C THR A 17 5.559 3.712 0.834 1.00 0.00 C ATOM 223 O THR A 17 4.721 4.615 0.834 1.00 0.00 O ATOM 224 CB THR A 17 7.680 4.156 2.072 1.00 0.00 C ATOM 225 OG1 THR A 17 9.003 4.692 1.957 1.00 0.00 O ATOM 226 CG2 THR A 17 7.732 2.808 2.774 1.00 0.00 C ATOM 0 H THR A 17 7.368 6.078 0.429 1.00 0.00 H new ATOM 0 HA THR A 17 7.526 3.205 0.141 1.00 0.00 H new ATOM 0 HB THR A 17 7.065 4.833 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.401 4.776 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.186 2.927 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.721 2.417 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.326 2.112 2.182 1.00 0.00 H new ATOM 234 N LEU A 18 5.238 2.430 0.971 1.00 0.00 N ATOM 235 CA LEU A 18 3.854 2.000 1.132 1.00 0.00 C ATOM 236 C LEU A 18 3.728 0.977 2.256 1.00 0.00 C ATOM 237 O LEU A 18 4.412 -0.047 2.257 1.00 0.00 O ATOM 238 CB LEU A 18 3.329 1.404 -0.176 1.00 0.00 C ATOM 239 CG LEU A 18 3.755 2.119 -1.458 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.351 1.310 -2.680 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.151 3.515 -1.516 1.00 0.00 C ATOM 0 H LEU A 18 5.918 1.670 0.974 1.00 0.00 H new ATOM 0 HA LEU A 18 3.257 2.874 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.657 0.366 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.240 1.392 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 18 4.841 2.215 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.663 1.835 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.832 0.332 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.269 1.182 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.465 4.009 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.064 3.442 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.491 4.095 -0.658 1.00 0.00 H new ATOM 253 N TYR A 19 2.849 1.260 3.211 1.00 0.00 N ATOM 254 CA TYR A 19 2.634 0.365 4.342 1.00 0.00 C ATOM 255 C TYR A 19 1.702 -0.781 3.960 1.00 0.00 C ATOM 256 O TYR A 19 0.494 -0.593 3.817 1.00 0.00 O ATOM 257 CB TYR A 19 2.051 1.137 5.527 1.00 0.00 C ATOM 258 CG TYR A 19 2.105 0.375 6.831 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.387 -0.802 7.001 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.874 0.832 7.895 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.432 -1.502 8.191 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.926 0.138 9.088 1.00 0.00 C ATOM 263 CZ TYR A 19 2.203 -1.027 9.232 1.00 0.00 C ATOM 264 OH TYR A 19 2.252 -1.722 10.419 1.00 0.00 O ATOM 0 H TYR A 19 2.274 2.102 3.224 1.00 0.00 H new ATOM 0 HA TYR A 19 3.598 -0.054 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.594 2.075 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.014 1.393 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.783 -1.177 6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.440 1.745 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.867 -2.415 8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.530 0.506 9.904 1.00 0.00 H new ATOM 0 HH TYR A 19 2.061 -2.669 10.252 1.00 0.00 H new ATOM 274 N VAL A 20 2.273 -1.970 3.797 1.00 0.00 N ATOM 275 CA VAL A 20 1.495 -3.148 3.433 1.00 0.00 C ATOM 276 C VAL A 20 1.245 -4.038 4.646 1.00 0.00 C ATOM 277 O VAL A 20 2.042 -4.064 5.584 1.00 0.00 O ATOM 278 CB VAL A 20 2.203 -3.974 2.342 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.261 -5.020 1.768 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.734 -3.063 1.245 1.00 0.00 C ATOM 0 H VAL A 20 3.272 -2.143 3.911 1.00 0.00 H new ATOM 0 HA VAL A 20 0.541 -2.790 3.046 1.00 0.00 H new ATOM 0 HB VAL A 20 3.049 -4.492 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.779 -5.593 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.935 -5.691 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.393 -4.527 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.231 -3.663 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.906 -2.516 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.446 -2.356 1.672 1.00 0.00 H new ATOM 290 N TYR A 21 0.134 -4.765 4.620 1.00 0.00 N ATOM 291 CA TYR A 21 -0.223 -5.655 5.719 1.00 0.00 C ATOM 292 C TYR A 21 -0.653 -7.022 5.195 1.00 0.00 C ATOM 293 O TYR A 21 -1.221 -7.133 4.110 1.00 0.00 O ATOM 294 CB TYR A 21 -1.346 -5.041 6.556 1.00 0.00 C ATOM 295 CG TYR A 21 -1.951 -6.001 7.554 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.146 -6.781 8.374 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.330 -6.127 7.679 1.00 0.00 C ATOM 298 CE1 TYR A 21 -1.695 -7.661 9.287 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.887 -7.003 8.590 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.066 -7.768 9.392 1.00 0.00 C ATOM 301 OH TYR A 21 -3.617 -8.642 10.301 1.00 0.00 O ATOM 0 H TYR A 21 -0.535 -4.756 3.850 1.00 0.00 H new ATOM 0 HA TYR A 21 0.658 -5.787 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.958 -4.173 7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.130 -4.681 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.072 -6.698 8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.977 -5.530 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.054 -8.262 9.915 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.960 -7.089 8.674 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.594 -8.595 10.249 1.00 0.00 H new ATOM 311 N GLY A 22 -0.376 -8.061 5.976 1.00 0.00 N ATOM 312 CA GLY A 22 -0.741 -9.408 5.576 1.00 0.00 C ATOM 313 C GLY A 22 -0.574 -10.412 6.700 1.00 0.00 C ATOM 314 O GLY A 22 -0.164 -10.054 7.803 1.00 0.00 O ATOM 0 H GLY A 22 0.095 -7.995 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.777 -9.415 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.127 -9.711 4.728 1.00 0.00 H new ATOM 318 N GLU A 23 -0.893 -11.671 6.418 1.00 0.00 N ATOM 319 CA GLU A 23 -0.778 -12.729 7.415 1.00 0.00 C ATOM 320 C GLU A 23 -0.096 -13.960 6.826 1.00 0.00 C ATOM 321 O GLU A 23 0.786 -14.552 7.448 1.00 0.00 O ATOM 322 CB GLU A 23 -2.160 -13.106 7.953 1.00 0.00 C ATOM 323 CG GLU A 23 -3.271 -12.967 6.927 1.00 0.00 C ATOM 324 CD GLU A 23 -4.627 -13.363 7.478 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.947 -14.570 7.454 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.369 -12.467 7.932 1.00 0.00 O ATOM 0 H GLU A 23 -1.233 -11.983 5.508 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.167 -12.354 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.133 -14.136 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.390 -12.477 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.312 -11.935 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.040 -13.587 6.061 1.00 0.00 H new ATOM 333 N ASP A 24 -0.512 -14.340 5.623 1.00 0.00 N ATOM 334 CA ASP A 24 0.058 -15.501 4.948 1.00 0.00 C ATOM 335 C ASP A 24 0.838 -15.078 3.707 1.00 0.00 C ATOM 336 O ASP A 24 0.780 -15.740 2.671 1.00 0.00 O ATOM 337 CB ASP A 24 -1.046 -16.486 4.561 1.00 0.00 C ATOM 338 CG ASP A 24 -0.515 -17.885 4.321 1.00 0.00 C ATOM 339 OD1 ASP A 24 0.191 -18.412 5.206 1.00 0.00 O ATOM 340 OD2 ASP A 24 -0.804 -18.453 3.246 1.00 0.00 O ATOM 0 H ASP A 24 -1.242 -13.861 5.095 1.00 0.00 H new ATOM 0 HA ASP A 24 0.745 -15.991 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.796 -16.516 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.546 -16.131 3.660 1.00 0.00 H new ATOM 345 N MET A 25 1.566 -13.972 3.819 1.00 0.00 N ATOM 346 CA MET A 25 2.357 -13.462 2.706 1.00 0.00 C ATOM 347 C MET A 25 3.842 -13.448 3.055 1.00 0.00 C ATOM 348 O MET A 25 4.215 -13.313 4.221 1.00 0.00 O ATOM 349 CB MET A 25 1.897 -12.053 2.328 1.00 0.00 C ATOM 350 CG MET A 25 1.319 -11.269 3.495 1.00 0.00 C ATOM 351 SD MET A 25 2.540 -10.930 4.777 1.00 0.00 S ATOM 352 CE MET A 25 2.677 -9.148 4.652 1.00 0.00 C ATOM 0 H MET A 25 1.624 -13.412 4.669 1.00 0.00 H new ATOM 0 HA MET A 25 2.208 -14.126 1.854 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.742 -11.503 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.146 -12.124 1.541 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.912 -10.327 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.489 -11.828 3.928 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.358 -8.781 5.420 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.062 -8.881 3.668 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.695 -8.697 4.792 1.00 0.00 H new ATOM 362 N THR A 26 4.687 -13.588 2.038 1.00 0.00 N ATOM 363 CA THR A 26 6.130 -13.592 2.239 1.00 0.00 C ATOM 364 C THR A 26 6.806 -12.523 1.388 1.00 0.00 C ATOM 365 O THR A 26 6.255 -12.042 0.398 1.00 0.00 O ATOM 366 CB THR A 26 6.740 -14.965 1.898 1.00 0.00 C ATOM 367 OG1 THR A 26 6.054 -15.543 0.782 1.00 0.00 O ATOM 368 CG2 THR A 26 6.659 -15.904 3.091 1.00 0.00 C ATOM 0 H THR A 26 4.396 -13.700 1.067 1.00 0.00 H new ATOM 0 HA THR A 26 6.304 -13.377 3.293 1.00 0.00 H new ATOM 0 HB THR A 26 7.789 -14.818 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.449 -16.415 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.096 -16.867 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.207 -15.475 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.616 -16.044 3.374 1.00 0.00 H new ATOM 376 N PRO A 27 8.031 -12.141 1.781 1.00 0.00 N ATOM 377 CA PRO A 27 8.810 -11.125 1.067 1.00 0.00 C ATOM 378 C PRO A 27 8.841 -11.369 -0.438 1.00 0.00 C ATOM 379 O PRO A 27 8.313 -10.575 -1.218 1.00 0.00 O ATOM 380 CB PRO A 27 10.213 -11.271 1.661 1.00 0.00 C ATOM 381 CG PRO A 27 9.991 -11.837 3.021 1.00 0.00 C ATOM 382 CD PRO A 27 8.750 -12.672 2.951 1.00 0.00 C ATOM 0 HA PRO A 27 8.384 -10.129 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.833 -11.931 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.724 -10.309 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.844 -12.440 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.879 -11.040 3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.986 -13.729 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.156 -12.581 3.860 1.00 0.00 H new ATOM 390 N THR A 28 9.462 -12.473 -0.841 1.00 0.00 N ATOM 391 CA THR A 28 9.562 -12.822 -2.253 1.00 0.00 C ATOM 392 C THR A 28 8.207 -12.716 -2.943 1.00 0.00 C ATOM 393 O THR A 28 8.127 -12.424 -4.137 1.00 0.00 O ATOM 394 CB THR A 28 10.111 -14.249 -2.442 1.00 0.00 C ATOM 395 OG1 THR A 28 11.419 -14.350 -1.868 1.00 0.00 O ATOM 396 CG2 THR A 28 10.170 -14.615 -3.917 1.00 0.00 C ATOM 0 H THR A 28 9.903 -13.141 -0.209 1.00 0.00 H new ATOM 0 HA THR A 28 10.254 -12.112 -2.705 1.00 0.00 H new ATOM 0 HB THR A 28 9.438 -14.943 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.761 -15.260 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.561 -15.627 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.169 -14.565 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.823 -13.916 -4.440 1.00 0.00 H new ATOM 404 N LEU A 29 7.142 -12.954 -2.185 1.00 0.00 N ATOM 405 CA LEU A 29 5.788 -12.885 -2.724 1.00 0.00 C ATOM 406 C LEU A 29 5.437 -11.458 -3.132 1.00 0.00 C ATOM 407 O LEU A 29 4.946 -11.220 -4.237 1.00 0.00 O ATOM 408 CB LEU A 29 4.781 -13.394 -1.691 1.00 0.00 C ATOM 409 CG LEU A 29 3.412 -13.804 -2.235 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.658 -14.638 -1.211 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.603 -12.575 -2.624 1.00 0.00 C ATOM 0 H LEU A 29 7.190 -13.196 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 29 5.743 -13.518 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.218 -14.251 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.634 -12.616 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 29 3.564 -14.412 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.686 -14.920 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.230 -15.537 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.516 -14.056 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.632 -12.886 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.461 -11.941 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.137 -12.017 -3.393 1.00 0.00 H new ATOM 423 N LEU A 30 5.695 -10.511 -2.237 1.00 0.00 N ATOM 424 CA LEU A 30 5.408 -9.106 -2.505 1.00 0.00 C ATOM 425 C LEU A 30 6.252 -8.591 -3.666 1.00 0.00 C ATOM 426 O LEU A 30 5.823 -7.714 -4.416 1.00 0.00 O ATOM 427 CB LEU A 30 5.671 -8.264 -1.255 1.00 0.00 C ATOM 428 CG LEU A 30 5.181 -8.855 0.067 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.302 -7.832 1.186 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.744 -9.337 -0.064 1.00 0.00 C ATOM 0 H LEU A 30 6.102 -10.690 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 30 4.356 -9.020 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.744 -8.091 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.200 -7.290 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 30 5.809 -9.711 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.949 -8.270 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.345 -7.535 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.699 -6.956 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.412 -9.755 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.102 -8.499 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.686 -10.104 -0.837 1.00 0.00 H new ATOM 442 N ARG A 31 7.452 -9.143 -3.810 1.00 0.00 N ATOM 443 CA ARG A 31 8.356 -8.739 -4.881 1.00 0.00 C ATOM 444 C ARG A 31 7.693 -8.910 -6.244 1.00 0.00 C ATOM 445 O ARG A 31 7.684 -7.991 -7.061 1.00 0.00 O ATOM 446 CB ARG A 31 9.647 -9.557 -4.823 1.00 0.00 C ATOM 447 CG ARG A 31 10.710 -8.955 -3.918 1.00 0.00 C ATOM 448 CD ARG A 31 12.064 -9.610 -4.136 1.00 0.00 C ATOM 449 NE ARG A 31 12.991 -9.329 -3.043 1.00 0.00 N ATOM 450 CZ ARG A 31 14.291 -9.600 -3.093 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.814 -10.156 -4.177 1.00 0.00 N ATOM 452 NH2 ARG A 31 15.070 -9.315 -2.058 1.00 0.00 N ATOM 0 H ARG A 31 7.821 -9.871 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 31 8.596 -7.685 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.414 -10.564 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.052 -9.653 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.788 -7.885 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.411 -9.073 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.934 -10.688 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.491 -9.255 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 31 12.620 -8.901 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.218 -10.377 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.812 -10.363 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.671 -8.887 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.068 -9.524 -2.098 1.00 0.00 H new ATOM 466 N GLY A 32 7.139 -10.095 -6.483 1.00 0.00 N ATOM 467 CA GLY A 32 6.483 -10.366 -7.749 1.00 0.00 C ATOM 468 C GLY A 32 5.082 -9.791 -7.810 1.00 0.00 C ATOM 469 O GLY A 32 4.438 -9.819 -8.858 1.00 0.00 O ATOM 0 H GLY A 32 7.133 -10.872 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.079 -9.949 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.438 -11.443 -7.908 1.00 0.00 H new ATOM 473 N ALA A 33 4.608 -9.271 -6.682 1.00 0.00 N ATOM 474 CA ALA A 33 3.274 -8.687 -6.612 1.00 0.00 C ATOM 475 C ALA A 33 3.331 -7.170 -6.755 1.00 0.00 C ATOM 476 O ALA A 33 2.378 -6.544 -7.221 1.00 0.00 O ATOM 477 CB ALA A 33 2.598 -9.071 -5.304 1.00 0.00 C ATOM 0 H ALA A 33 5.128 -9.242 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 33 2.687 -9.082 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.603 -8.628 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.515 -10.156 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.191 -8.704 -4.466 1.00 0.00 H new ATOM 483 N PHE A 34 4.453 -6.584 -6.352 1.00 0.00 N ATOM 484 CA PHE A 34 4.633 -5.139 -6.434 1.00 0.00 C ATOM 485 C PHE A 34 5.398 -4.757 -7.698 1.00 0.00 C ATOM 486 O PHE A 34 5.404 -3.595 -8.105 1.00 0.00 O ATOM 487 CB PHE A 34 5.377 -4.625 -5.199 1.00 0.00 C ATOM 488 CG PHE A 34 4.489 -4.423 -4.005 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.929 -5.509 -3.350 1.00 0.00 C ATOM 490 CD2 PHE A 34 4.213 -3.149 -3.537 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.111 -5.325 -2.251 1.00 0.00 C ATOM 492 CE2 PHE A 34 3.396 -2.959 -2.439 1.00 0.00 C ATOM 493 CZ PHE A 34 2.845 -4.049 -1.794 1.00 0.00 C ATOM 0 H PHE A 34 5.252 -7.087 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 34 3.647 -4.677 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.166 -5.331 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.863 -3.681 -5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.134 -6.509 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.642 -2.293 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.680 -6.179 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.189 -1.960 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.208 -3.904 -0.934 1.00 0.00 H new ATOM 503 N SER A 35 6.043 -5.743 -8.313 1.00 0.00 N ATOM 504 CA SER A 35 6.815 -5.510 -9.528 1.00 0.00 C ATOM 505 C SER A 35 5.920 -4.992 -10.649 1.00 0.00 C ATOM 506 O SER A 35 6.279 -4.080 -11.394 1.00 0.00 O ATOM 507 CB SER A 35 7.511 -6.799 -9.969 1.00 0.00 C ATOM 508 OG SER A 35 8.548 -6.527 -10.896 1.00 0.00 O ATOM 0 H SER A 35 6.046 -6.711 -7.990 1.00 0.00 H new ATOM 0 HA SER A 35 7.570 -4.754 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.922 -7.310 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.783 -7.473 -10.420 1.00 0.00 H new ATOM 0 HG SER A 35 8.978 -7.367 -11.161 1.00 0.00 H new ATOM 514 N PRO A 36 4.724 -5.588 -10.774 1.00 0.00 N ATOM 515 CA PRO A 36 3.752 -5.203 -11.802 1.00 0.00 C ATOM 516 C PRO A 36 3.548 -3.693 -11.870 1.00 0.00 C ATOM 517 O PRO A 36 3.467 -3.116 -12.955 1.00 0.00 O ATOM 518 CB PRO A 36 2.465 -5.897 -11.349 1.00 0.00 C ATOM 519 CG PRO A 36 2.926 -7.067 -10.550 1.00 0.00 C ATOM 520 CD PRO A 36 4.230 -6.682 -9.922 1.00 0.00 C ATOM 0 HA PRO A 36 4.079 -5.491 -12.801 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.845 -5.229 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.864 -6.212 -12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.192 -7.326 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.048 -7.944 -11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.096 -6.356 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.927 -7.520 -9.903 1.00 0.00 H new ATOM 528 N PHE A 37 3.465 -3.058 -10.706 1.00 0.00 N ATOM 529 CA PHE A 37 3.270 -1.615 -10.634 1.00 0.00 C ATOM 530 C PHE A 37 4.549 -0.874 -11.012 1.00 0.00 C ATOM 531 O PHE A 37 4.507 0.152 -11.691 1.00 0.00 O ATOM 532 CB PHE A 37 2.828 -1.208 -9.227 1.00 0.00 C ATOM 533 CG PHE A 37 1.503 -1.788 -8.823 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.426 -3.059 -8.275 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.334 -1.063 -8.992 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.208 -3.595 -7.902 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.886 -1.595 -8.620 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.950 -2.863 -8.076 1.00 0.00 C ATOM 0 H PHE A 37 3.530 -3.520 -9.799 1.00 0.00 H new ATOM 0 HA PHE A 37 2.490 -1.343 -11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.587 -1.523 -8.511 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.771 -0.121 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.328 -3.637 -8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.377 -0.072 -9.419 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.162 -4.586 -7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.790 -1.019 -8.755 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.903 -3.281 -7.787 1.00 0.00 H new ATOM 548 N GLY A 38 5.685 -1.401 -10.568 1.00 0.00 N ATOM 549 CA GLY A 38 6.960 -0.777 -10.868 1.00 0.00 C ATOM 550 C GLY A 38 8.134 -1.556 -10.309 1.00 0.00 C ATOM 551 O GLY A 38 8.073 -2.779 -10.186 1.00 0.00 O ATOM 0 H GLY A 38 5.745 -2.250 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.071 -0.685 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.971 0.234 -10.460 1.00 0.00 H new ATOM 555 N ASN A 39 9.206 -0.848 -9.970 1.00 0.00 N ATOM 556 CA ASN A 39 10.400 -1.481 -9.423 1.00 0.00 C ATOM 557 C ASN A 39 10.468 -1.298 -7.910 1.00 0.00 C ATOM 558 O ASN A 39 10.164 -0.224 -7.390 1.00 0.00 O ATOM 559 CB ASN A 39 11.656 -0.900 -10.075 1.00 0.00 C ATOM 560 CG ASN A 39 12.929 -1.521 -9.533 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.073 -2.743 -9.504 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.859 -0.678 -9.099 1.00 0.00 N ATOM 0 H ASN A 39 9.272 0.165 -10.065 1.00 0.00 H new ATOM 0 HA ASN A 39 10.347 -2.548 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.609 -1.057 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.682 0.177 -9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.736 -1.037 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.696 0.328 -9.143 1.00 0.00 H new ATOM 569 N ILE A 40 10.869 -2.354 -7.209 1.00 0.00 N ATOM 570 CA ILE A 40 10.978 -2.309 -5.756 1.00 0.00 C ATOM 571 C ILE A 40 12.416 -2.045 -5.321 1.00 0.00 C ATOM 572 O ILE A 40 13.311 -2.851 -5.579 1.00 0.00 O ATOM 573 CB ILE A 40 10.492 -3.621 -5.114 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.065 -3.937 -5.565 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.566 -3.528 -3.597 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.639 -5.359 -5.272 1.00 0.00 C ATOM 0 H ILE A 40 11.124 -3.250 -7.624 1.00 0.00 H new ATOM 0 HA ILE A 40 10.342 -1.491 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 40 11.144 -4.431 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.376 -3.251 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.983 -3.755 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.219 -4.463 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.597 -3.345 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.935 -2.709 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.617 -5.511 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.304 -6.052 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.689 -5.540 -4.198 1.00 0.00 H new ATOM 588 N ILE A 41 12.630 -0.913 -4.660 1.00 0.00 N ATOM 589 CA ILE A 41 13.959 -0.544 -4.187 1.00 0.00 C ATOM 590 C ILE A 41 14.102 -0.808 -2.692 1.00 0.00 C ATOM 591 O ILE A 41 15.203 -1.051 -2.197 1.00 0.00 O ATOM 592 CB ILE A 41 14.265 0.939 -4.467 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.050 1.805 -4.131 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.673 1.130 -5.920 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.314 3.290 -4.250 1.00 0.00 C ATOM 0 H ILE A 41 11.900 -0.235 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 41 14.672 -1.162 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 41 15.095 1.250 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.228 1.536 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.725 1.582 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.886 2.183 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.564 0.538 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.861 0.806 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.409 3.842 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.114 3.573 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.609 3.526 -5.272 1.00 0.00 H new ATOM 607 N ASP A 42 12.983 -0.760 -1.978 1.00 0.00 N ATOM 608 CA ASP A 42 12.983 -0.997 -0.539 1.00 0.00 C ATOM 609 C ASP A 42 11.788 -1.853 -0.129 1.00 0.00 C ATOM 610 O ASP A 42 10.642 -1.406 -0.189 1.00 0.00 O ATOM 611 CB ASP A 42 12.958 0.332 0.218 1.00 0.00 C ATOM 612 CG ASP A 42 13.653 0.245 1.563 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.608 -0.837 2.185 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.242 1.259 1.992 1.00 0.00 O ATOM 0 H ASP A 42 12.064 -0.559 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 42 13.896 -1.534 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.439 1.101 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.924 0.643 0.366 1.00 0.00 H new ATOM 619 N LEU A 43 12.064 -3.084 0.286 1.00 0.00 N ATOM 620 CA LEU A 43 11.011 -4.003 0.705 1.00 0.00 C ATOM 621 C LEU A 43 11.398 -4.723 1.993 1.00 0.00 C ATOM 622 O LEU A 43 12.248 -5.613 1.988 1.00 0.00 O ATOM 623 CB LEU A 43 10.730 -5.025 -0.398 1.00 0.00 C ATOM 624 CG LEU A 43 9.989 -6.291 0.032 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.715 -5.934 0.782 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.673 -7.161 -1.176 1.00 0.00 C ATOM 0 H LEU A 43 13.007 -3.469 0.342 1.00 0.00 H new ATOM 0 HA LEU A 43 10.108 -3.421 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.148 -4.536 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.680 -5.318 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 43 10.635 -6.857 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.200 -6.847 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.966 -5.352 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.064 -5.346 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.146 -8.058 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.046 -6.604 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.601 -7.446 -1.672 1.00 0.00 H new ATOM 638 N SER A 44 10.767 -4.332 3.096 1.00 0.00 N ATOM 639 CA SER A 44 11.046 -4.938 4.392 1.00 0.00 C ATOM 640 C SER A 44 9.792 -5.588 4.969 1.00 0.00 C ATOM 641 O SER A 44 8.690 -5.056 4.843 1.00 0.00 O ATOM 642 CB SER A 44 11.583 -3.887 5.366 1.00 0.00 C ATOM 643 OG SER A 44 12.066 -4.491 6.553 1.00 0.00 O ATOM 0 H SER A 44 10.059 -3.598 3.117 1.00 0.00 H new ATOM 0 HA SER A 44 11.802 -5.710 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.384 -3.321 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.793 -3.177 5.611 1.00 0.00 H new ATOM 0 HG SER A 44 12.405 -3.798 7.158 1.00 0.00 H new ATOM 649 N MET A 45 9.970 -6.743 5.603 1.00 0.00 N ATOM 650 CA MET A 45 8.854 -7.466 6.200 1.00 0.00 C ATOM 651 C MET A 45 9.005 -7.543 7.716 1.00 0.00 C ATOM 652 O MET A 45 10.108 -7.733 8.230 1.00 0.00 O ATOM 653 CB MET A 45 8.759 -8.876 5.613 1.00 0.00 C ATOM 654 CG MET A 45 7.865 -8.964 4.386 1.00 0.00 C ATOM 655 SD MET A 45 6.151 -9.339 4.801 1.00 0.00 S ATOM 656 CE MET A 45 5.724 -10.472 3.481 1.00 0.00 C ATOM 0 H MET A 45 10.876 -7.197 5.716 1.00 0.00 H new ATOM 0 HA MET A 45 7.937 -6.922 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.759 -9.219 5.349 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.381 -9.554 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.905 -8.019 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.249 -9.733 3.716 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.704 -10.277 3.150 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.410 -10.332 2.646 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.798 -11.497 3.843 1.00 0.00 H new ATOM 666 N ASP A 46 7.892 -7.395 8.426 1.00 0.00 N ATOM 667 CA ASP A 46 7.901 -7.448 9.883 1.00 0.00 C ATOM 668 C ASP A 46 7.063 -8.618 10.389 1.00 0.00 C ATOM 669 O ASP A 46 5.845 -8.522 10.539 1.00 0.00 O ATOM 670 CB ASP A 46 7.374 -6.137 10.466 1.00 0.00 C ATOM 671 CG ASP A 46 8.470 -5.109 10.666 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.204 -4.828 9.695 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.594 -4.585 11.792 1.00 0.00 O ATOM 0 H ASP A 46 6.972 -7.237 8.016 1.00 0.00 H new ATOM 0 HA ASP A 46 8.930 -7.593 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.613 -5.728 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.889 -6.337 11.421 1.00 0.00 H new ATOM 678 N PRO A 47 7.729 -9.751 10.658 1.00 0.00 N ATOM 679 CA PRO A 47 7.065 -10.962 11.150 1.00 0.00 C ATOM 680 C PRO A 47 6.118 -10.672 12.310 1.00 0.00 C ATOM 681 O PRO A 47 5.001 -11.186 12.375 1.00 0.00 O ATOM 682 CB PRO A 47 8.229 -11.840 11.616 1.00 0.00 C ATOM 683 CG PRO A 47 9.393 -11.390 10.803 1.00 0.00 C ATOM 684 CD PRO A 47 9.181 -9.937 10.502 1.00 0.00 C ATOM 0 HA PRO A 47 6.443 -11.426 10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.418 -11.713 12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.017 -12.897 11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.325 -11.539 11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.467 -11.968 9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.741 -9.301 11.188 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.510 -9.686 9.494 1.00 0.00 H new ATOM 692 N PRO A 48 6.572 -9.830 13.250 1.00 0.00 N ATOM 693 CA PRO A 48 5.780 -9.452 14.424 1.00 0.00 C ATOM 694 C PRO A 48 4.358 -9.043 14.057 1.00 0.00 C ATOM 695 O PRO A 48 3.392 -9.686 14.469 1.00 0.00 O ATOM 696 CB PRO A 48 6.548 -8.260 15.001 1.00 0.00 C ATOM 697 CG PRO A 48 7.953 -8.459 14.549 1.00 0.00 C ATOM 698 CD PRO A 48 7.894 -9.180 13.237 1.00 0.00 C ATOM 0 HA PRO A 48 5.665 -10.281 15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.145 -7.315 14.636 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.482 -8.236 16.089 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.462 -7.501 14.440 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.515 -9.038 15.282 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.993 -8.491 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.698 -9.911 13.146 1.00 0.00 H new ATOM 706 N ARG A 49 4.237 -7.971 13.282 1.00 0.00 N ATOM 707 CA ARG A 49 2.932 -7.477 12.860 1.00 0.00 C ATOM 708 C ARG A 49 2.564 -8.018 11.482 1.00 0.00 C ATOM 709 O ARG A 49 1.629 -7.536 10.844 1.00 0.00 O ATOM 710 CB ARG A 49 2.925 -5.947 12.838 1.00 0.00 C ATOM 711 CG ARG A 49 2.687 -5.319 14.201 1.00 0.00 C ATOM 712 CD ARG A 49 3.940 -5.364 15.062 1.00 0.00 C ATOM 713 NE ARG A 49 3.835 -4.491 16.228 1.00 0.00 N ATOM 714 CZ ARG A 49 3.095 -4.774 17.294 1.00 0.00 C ATOM 715 NH1 ARG A 49 2.400 -5.902 17.342 1.00 0.00 N ATOM 716 NH2 ARG A 49 3.051 -3.929 18.316 1.00 0.00 N ATOM 0 H ARG A 49 5.027 -7.428 12.933 1.00 0.00 H new ATOM 0 HA ARG A 49 2.190 -7.827 13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.879 -5.593 12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.151 -5.606 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.368 -4.284 14.075 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.877 -5.843 14.708 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.117 -6.388 15.391 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.802 -5.068 14.464 1.00 0.00 H new ATOM 0 HE ARG A 49 4.359 -3.616 16.223 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.433 -6.555 16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.833 -6.117 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.586 -3.061 18.283 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.482 -4.147 19.134 1.00 0.00 H new ATOM 730 N ASN A 50 3.308 -9.022 11.029 1.00 0.00 N ATOM 731 CA ASN A 50 3.061 -9.628 9.725 1.00 0.00 C ATOM 732 C ASN A 50 2.776 -8.560 8.674 1.00 0.00 C ATOM 733 O ASN A 50 1.882 -8.717 7.841 1.00 0.00 O ATOM 734 CB ASN A 50 1.886 -10.605 9.808 1.00 0.00 C ATOM 735 CG ASN A 50 2.224 -11.850 10.605 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.900 -12.753 10.110 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.754 -11.904 11.846 1.00 0.00 N ATOM 0 H ASN A 50 4.086 -9.433 11.545 1.00 0.00 H new ATOM 0 HA ASN A 50 3.958 -10.173 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.033 -10.105 10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.584 -10.893 8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.949 -12.717 12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.198 -11.132 12.215 1.00 0.00 H new ATOM 744 N CYS A 51 3.541 -7.476 8.718 1.00 0.00 N ATOM 745 CA CYS A 51 3.371 -6.381 7.769 1.00 0.00 C ATOM 746 C CYS A 51 4.579 -6.271 6.844 1.00 0.00 C ATOM 747 O CYS A 51 5.506 -7.076 6.919 1.00 0.00 O ATOM 748 CB CYS A 51 3.162 -5.061 8.513 1.00 0.00 C ATOM 749 SG CYS A 51 1.517 -4.879 9.243 1.00 0.00 S ATOM 0 H CYS A 51 4.285 -7.331 9.400 1.00 0.00 H new ATOM 0 HA CYS A 51 2.490 -6.592 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.909 -4.979 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.335 -4.235 7.823 1.00 0.00 H new ATOM 0 HG CYS A 51 1.266 -5.900 10.007 1.00 0.00 H new ATOM 755 N ALA A 52 4.559 -5.269 5.971 1.00 0.00 N ATOM 756 CA ALA A 52 5.653 -5.053 5.031 1.00 0.00 C ATOM 757 C ALA A 52 5.682 -3.608 4.546 1.00 0.00 C ATOM 758 O ALA A 52 4.668 -2.911 4.578 1.00 0.00 O ATOM 759 CB ALA A 52 5.530 -6.006 3.851 1.00 0.00 C ATOM 0 H ALA A 52 3.798 -4.594 5.895 1.00 0.00 H new ATOM 0 HA ALA A 52 6.591 -5.253 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.353 -5.834 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.566 -7.035 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.583 -5.833 3.340 1.00 0.00 H new ATOM 765 N PHE A 53 6.852 -3.163 4.098 1.00 0.00 N ATOM 766 CA PHE A 53 7.014 -1.799 3.608 1.00 0.00 C ATOM 767 C PHE A 53 7.695 -1.789 2.243 1.00 0.00 C ATOM 768 O PHE A 53 8.917 -1.907 2.145 1.00 0.00 O ATOM 769 CB PHE A 53 7.829 -0.970 4.603 1.00 0.00 C ATOM 770 CG PHE A 53 7.438 -1.199 6.035 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.441 -0.441 6.625 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.070 -2.174 6.792 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.079 -0.649 7.943 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.712 -2.387 8.109 1.00 0.00 C ATOM 775 CZ PHE A 53 6.716 -1.623 8.686 1.00 0.00 C ATOM 0 H PHE A 53 7.701 -3.727 4.064 1.00 0.00 H new ATOM 0 HA PHE A 53 6.023 -1.357 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.886 -1.207 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.710 0.087 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.940 0.322 6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.851 -2.773 6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.299 -0.051 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.211 -3.151 8.688 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.436 -1.787 9.716 1.00 0.00 H new ATOM 785 N VAL A 54 6.896 -1.649 1.190 1.00 0.00 N ATOM 786 CA VAL A 54 7.420 -1.624 -0.170 1.00 0.00 C ATOM 787 C VAL A 54 7.562 -0.193 -0.677 1.00 0.00 C ATOM 788 O VAL A 54 6.667 0.634 -0.499 1.00 0.00 O ATOM 789 CB VAL A 54 6.514 -2.411 -1.136 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.143 -2.482 -2.519 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.242 -3.806 -0.593 1.00 0.00 C ATOM 0 H VAL A 54 5.883 -1.551 1.253 1.00 0.00 H new ATOM 0 HA VAL A 54 8.402 -2.096 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 54 5.562 -1.887 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.489 -3.042 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.282 -1.473 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.109 -2.982 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.601 -4.348 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.184 -4.341 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.746 -3.729 0.375 1.00 0.00 H new ATOM 801 N THR A 55 8.695 0.094 -1.312 1.00 0.00 N ATOM 802 CA THR A 55 8.956 1.425 -1.845 1.00 0.00 C ATOM 803 C THR A 55 9.150 1.384 -3.356 1.00 0.00 C ATOM 804 O THR A 55 9.831 0.502 -3.881 1.00 0.00 O ATOM 805 CB THR A 55 10.203 2.056 -1.196 1.00 0.00 C ATOM 806 OG1 THR A 55 10.119 1.949 0.230 1.00 0.00 O ATOM 807 CG2 THR A 55 10.338 3.518 -1.593 1.00 0.00 C ATOM 0 H THR A 55 9.446 -0.578 -1.469 1.00 0.00 H new ATOM 0 HA THR A 55 8.084 2.036 -1.610 1.00 0.00 H new ATOM 0 HB THR A 55 11.082 1.518 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.838 2.473 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.225 3.942 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.430 3.594 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.456 4.067 -1.264 1.00 0.00 H new ATOM 815 N TYR A 56 8.549 2.343 -4.052 1.00 0.00 N ATOM 816 CA TYR A 56 8.655 2.415 -5.504 1.00 0.00 C ATOM 817 C TYR A 56 9.615 3.522 -5.926 1.00 0.00 C ATOM 818 O TYR A 56 9.638 4.599 -5.331 1.00 0.00 O ATOM 819 CB TYR A 56 7.278 2.654 -6.125 1.00 0.00 C ATOM 820 CG TYR A 56 6.395 1.427 -6.132 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.841 0.229 -6.678 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.114 1.465 -5.594 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.037 -0.895 -6.687 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.305 0.346 -5.597 1.00 0.00 C ATOM 825 CZ TYR A 56 4.770 -0.832 -6.145 1.00 0.00 C ATOM 826 OH TYR A 56 3.966 -1.948 -6.151 1.00 0.00 O ATOM 0 H TYR A 56 7.983 3.081 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 56 9.048 1.463 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.775 3.450 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.407 3.004 -7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.833 0.176 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.745 2.386 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.399 -1.818 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.313 0.393 -5.172 1.00 0.00 H new ATOM 0 HH TYR A 56 3.708 -2.170 -5.232 1.00 0.00 H new ATOM 836 N GLU A 57 10.407 3.249 -6.959 1.00 0.00 N ATOM 837 CA GLU A 57 11.370 4.221 -7.461 1.00 0.00 C ATOM 838 C GLU A 57 10.681 5.537 -7.814 1.00 0.00 C ATOM 839 O GLU A 57 11.249 6.615 -7.641 1.00 0.00 O ATOM 840 CB GLU A 57 12.095 3.667 -8.689 1.00 0.00 C ATOM 841 CG GLU A 57 12.896 4.713 -9.447 1.00 0.00 C ATOM 842 CD GLU A 57 13.773 4.107 -10.525 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.853 3.580 -10.185 1.00 0.00 O ATOM 844 OE2 GLU A 57 13.379 4.160 -11.709 1.00 0.00 O ATOM 0 H GLU A 57 10.400 2.363 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 57 12.099 4.412 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.765 2.866 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.363 3.223 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.212 5.430 -9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.520 5.267 -8.745 1.00 0.00 H new ATOM 851 N LYS A 58 9.452 5.439 -8.311 1.00 0.00 N ATOM 852 CA LYS A 58 8.683 6.619 -8.688 1.00 0.00 C ATOM 853 C LYS A 58 7.383 6.698 -7.894 1.00 0.00 C ATOM 854 O LYS A 58 6.500 5.855 -8.045 1.00 0.00 O ATOM 855 CB LYS A 58 8.377 6.595 -10.188 1.00 0.00 C ATOM 856 CG LYS A 58 9.617 6.635 -11.063 1.00 0.00 C ATOM 857 CD LYS A 58 10.145 8.051 -11.218 1.00 0.00 C ATOM 858 CE LYS A 58 10.898 8.225 -12.528 1.00 0.00 C ATOM 859 NZ LYS A 58 9.990 8.140 -13.705 1.00 0.00 N ATOM 0 H LYS A 58 8.967 4.554 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 58 9.281 7.501 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.808 5.695 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.741 7.446 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.391 6.003 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.384 6.223 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.315 8.756 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.805 8.288 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.406 9.190 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.669 7.459 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.415 8.645 -14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.845 7.142 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.074 8.573 -13.469 1.00 0.00 H new ATOM 873 N MET A 59 7.272 7.718 -7.049 1.00 0.00 N ATOM 874 CA MET A 59 6.079 7.909 -6.234 1.00 0.00 C ATOM 875 C MET A 59 4.824 7.512 -7.006 1.00 0.00 C ATOM 876 O MET A 59 3.885 6.956 -6.438 1.00 0.00 O ATOM 877 CB MET A 59 5.973 9.365 -5.779 1.00 0.00 C ATOM 878 CG MET A 59 6.128 10.368 -6.910 1.00 0.00 C ATOM 879 SD MET A 59 7.843 10.861 -7.171 1.00 0.00 S ATOM 880 CE MET A 59 8.108 10.292 -8.848 1.00 0.00 C ATOM 0 H MET A 59 7.994 8.425 -6.911 1.00 0.00 H new ATOM 0 HA MET A 59 6.163 7.268 -5.357 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.006 9.518 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.737 9.558 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.734 9.936 -7.830 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.529 11.252 -6.691 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.139 9.957 -8.960 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.432 9.464 -9.062 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.914 11.108 -9.544 1.00 0.00 H new ATOM 890 N GLU A 60 4.816 7.803 -8.303 1.00 0.00 N ATOM 891 CA GLU A 60 3.676 7.478 -9.152 1.00 0.00 C ATOM 892 C GLU A 60 3.026 6.169 -8.711 1.00 0.00 C ATOM 893 O GLU A 60 1.830 6.124 -8.422 1.00 0.00 O ATOM 894 CB GLU A 60 4.113 7.376 -10.615 1.00 0.00 C ATOM 895 CG GLU A 60 4.924 8.568 -11.092 1.00 0.00 C ATOM 896 CD GLU A 60 4.770 8.821 -12.579 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.663 9.213 -13.002 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.757 8.626 -13.320 1.00 0.00 O ATOM 0 H GLU A 60 5.586 8.263 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 60 2.943 8.279 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.704 6.469 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.228 7.274 -11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.614 9.457 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.977 8.402 -10.863 1.00 0.00 H new ATOM 905 N SER A 61 3.823 5.106 -8.663 1.00 0.00 N ATOM 906 CA SER A 61 3.325 3.795 -8.262 1.00 0.00 C ATOM 907 C SER A 61 2.689 3.856 -6.877 1.00 0.00 C ATOM 908 O SER A 61 1.600 3.326 -6.658 1.00 0.00 O ATOM 909 CB SER A 61 4.462 2.771 -8.269 1.00 0.00 C ATOM 910 OG SER A 61 5.032 2.651 -9.561 1.00 0.00 O ATOM 0 H SER A 61 4.816 5.127 -8.897 1.00 0.00 H new ATOM 0 HA SER A 61 2.564 3.488 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.230 3.071 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.085 1.802 -7.943 1.00 0.00 H new ATOM 0 HG SER A 61 5.757 1.992 -9.539 1.00 0.00 H new ATOM 916 N ALA A 62 3.377 4.507 -5.945 1.00 0.00 N ATOM 917 CA ALA A 62 2.879 4.639 -4.581 1.00 0.00 C ATOM 918 C ALA A 62 1.359 4.761 -4.561 1.00 0.00 C ATOM 919 O ALA A 62 0.669 3.932 -3.968 1.00 0.00 O ATOM 920 CB ALA A 62 3.516 5.843 -3.901 1.00 0.00 C ATOM 0 H ALA A 62 4.280 4.951 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 62 3.152 3.738 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.135 5.930 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.598 5.715 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.271 6.747 -4.458 1.00 0.00 H new ATOM 926 N ASP A 63 0.845 5.799 -5.210 1.00 0.00 N ATOM 927 CA ASP A 63 -0.594 6.029 -5.267 1.00 0.00 C ATOM 928 C ASP A 63 -1.296 4.899 -6.013 1.00 0.00 C ATOM 929 O ASP A 63 -2.331 4.401 -5.572 1.00 0.00 O ATOM 930 CB ASP A 63 -0.892 7.367 -5.945 1.00 0.00 C ATOM 931 CG ASP A 63 -0.914 8.522 -4.964 1.00 0.00 C ATOM 932 OD1 ASP A 63 -1.753 8.499 -4.040 1.00 0.00 O ATOM 933 OD2 ASP A 63 -0.092 9.450 -5.119 1.00 0.00 O ATOM 0 H ASP A 63 1.403 6.495 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.973 6.056 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.140 7.559 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.855 7.307 -6.453 1.00 0.00 H new ATOM 938 N GLN A 64 -0.726 4.501 -7.146 1.00 0.00 N ATOM 939 CA GLN A 64 -1.298 3.431 -7.954 1.00 0.00 C ATOM 940 C GLN A 64 -1.496 2.167 -7.123 1.00 0.00 C ATOM 941 O GLN A 64 -2.626 1.751 -6.868 1.00 0.00 O ATOM 942 CB GLN A 64 -0.397 3.130 -9.153 1.00 0.00 C ATOM 943 CG GLN A 64 -0.461 4.189 -10.242 1.00 0.00 C ATOM 944 CD GLN A 64 -0.205 3.621 -11.624 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.677 2.782 -11.809 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.977 4.076 -12.604 1.00 0.00 N ATOM 0 H GLN A 64 0.131 4.904 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.271 3.764 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.633 3.036 -8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.680 2.167 -9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.442 4.664 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.273 4.966 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.696 4.772 -12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.851 3.730 -13.555 1.00 0.00 H new ATOM 955 N ALA A 65 -0.391 1.562 -6.703 1.00 0.00 N ATOM 956 CA ALA A 65 -0.443 0.347 -5.899 1.00 0.00 C ATOM 957 C ALA A 65 -1.443 0.488 -4.756 1.00 0.00 C ATOM 958 O ALA A 65 -2.400 -0.281 -4.657 1.00 0.00 O ATOM 959 CB ALA A 65 0.938 0.014 -5.355 1.00 0.00 C ATOM 0 H ALA A 65 0.552 1.893 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.775 -0.469 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.884 -0.895 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.629 -0.138 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.292 0.836 -4.734 1.00 0.00 H new ATOM 965 N VAL A 66 -1.216 1.474 -3.895 1.00 0.00 N ATOM 966 CA VAL A 66 -2.098 1.715 -2.759 1.00 0.00 C ATOM 967 C VAL A 66 -3.556 1.779 -3.199 1.00 0.00 C ATOM 968 O VAL A 66 -4.467 1.585 -2.395 1.00 0.00 O ATOM 969 CB VAL A 66 -1.734 3.025 -2.035 1.00 0.00 C ATOM 970 CG1 VAL A 66 -2.891 3.493 -1.165 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.473 2.842 -1.205 1.00 0.00 C ATOM 0 H VAL A 66 -0.429 2.119 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.965 0.879 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.540 3.792 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.616 4.420 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.768 3.666 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.119 2.730 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.231 3.777 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.636 2.061 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.353 2.556 -1.856 1.00 0.00 H new ATOM 981 N ALA A 67 -3.770 2.052 -4.482 1.00 0.00 N ATOM 982 CA ALA A 67 -5.118 2.138 -5.031 1.00 0.00 C ATOM 983 C ALA A 67 -5.599 0.777 -5.522 1.00 0.00 C ATOM 984 O ALA A 67 -6.793 0.481 -5.486 1.00 0.00 O ATOM 985 CB ALA A 67 -5.163 3.156 -6.161 1.00 0.00 C ATOM 0 H ALA A 67 -3.027 2.217 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.788 2.465 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.175 3.210 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.870 4.135 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.476 2.853 -6.951 1.00 0.00 H new ATOM 991 N GLU A 68 -4.662 -0.046 -5.981 1.00 0.00 N ATOM 992 CA GLU A 68 -4.992 -1.376 -6.481 1.00 0.00 C ATOM 993 C GLU A 68 -4.751 -2.436 -5.410 1.00 0.00 C ATOM 994 O GLU A 68 -5.668 -3.158 -5.018 1.00 0.00 O ATOM 995 CB GLU A 68 -4.164 -1.697 -7.727 1.00 0.00 C ATOM 996 CG GLU A 68 -4.331 -0.682 -8.847 1.00 0.00 C ATOM 997 CD GLU A 68 -4.153 -1.296 -10.222 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.008 -2.114 -10.621 1.00 0.00 O ATOM 999 OE2 GLU A 68 -3.158 -0.960 -10.898 1.00 0.00 O ATOM 0 H GLU A 68 -3.669 0.184 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.050 -1.384 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.111 -1.750 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.446 -2.683 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.321 -0.232 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.606 0.121 -8.715 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.511 -2.523 -4.942 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.147 -3.494 -3.916 1.00 0.00 C ATOM 1008 C LEU A 69 -4.025 -3.334 -2.679 1.00 0.00 C ATOM 1009 O LEU A 69 -4.127 -4.244 -1.856 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.675 -3.335 -3.534 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.658 -3.855 -4.551 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.680 -4.121 -3.880 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.177 -5.114 -5.229 1.00 0.00 C ATOM 0 H LEU A 69 -2.741 -1.933 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.304 -4.492 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.477 -2.277 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.508 -3.849 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.512 -3.090 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.391 -4.490 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.058 -3.197 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.552 -4.867 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.440 -5.470 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.353 -5.885 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.111 -4.891 -5.745 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.659 -2.173 -2.555 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.530 -1.894 -1.419 1.00 0.00 C ATOM 1027 C ASN A 70 -6.699 -2.875 -1.377 1.00 0.00 C ATOM 1028 O ASN A 70 -7.573 -2.853 -2.242 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.056 -0.460 -1.493 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.432 -0.315 -0.871 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.726 -0.922 0.159 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.282 0.492 -1.495 1.00 0.00 N ATOM 0 H ASN A 70 -4.586 -1.410 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.945 -2.012 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.359 0.206 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.097 -0.144 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.222 0.629 -1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.995 0.975 -2.346 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.707 -3.734 -0.362 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.772 -4.710 -0.224 1.00 0.00 C ATOM 1041 C GLY A 71 -7.829 -5.674 -1.393 1.00 0.00 C ATOM 1042 O GLY A 71 -8.898 -6.180 -1.739 1.00 0.00 O ATOM 0 H GLY A 71 -5.995 -3.771 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.629 -5.271 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.727 -4.192 -0.137 1.00 0.00 H new ATOM 1046 N THR A 72 -6.677 -5.929 -2.005 1.00 0.00 N ATOM 1047 CA THR A 72 -6.601 -6.836 -3.143 1.00 0.00 C ATOM 1048 C THR A 72 -6.336 -8.267 -2.689 1.00 0.00 C ATOM 1049 O THR A 72 -5.869 -8.497 -1.573 1.00 0.00 O ATOM 1050 CB THR A 72 -5.496 -6.410 -4.128 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.768 -6.943 -5.429 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.133 -6.888 -3.653 1.00 0.00 C ATOM 0 H THR A 72 -5.784 -5.520 -1.731 1.00 0.00 H new ATOM 0 HA THR A 72 -7.566 -6.790 -3.648 1.00 0.00 H new ATOM 0 HB THR A 72 -5.484 -5.321 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.062 -6.666 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.369 -6.575 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.916 -6.457 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.135 -7.975 -3.577 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.636 -9.225 -3.560 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.429 -10.634 -3.247 1.00 0.00 C ATOM 1062 C GLN A 73 -5.468 -11.277 -4.241 1.00 0.00 C ATOM 1063 O GLN A 73 -5.870 -11.693 -5.328 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.764 -11.380 -3.253 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.711 -12.728 -2.552 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.069 -13.397 -2.468 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.090 -12.734 -2.285 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.088 -14.718 -2.603 1.00 0.00 N ATOM 0 H GLN A 73 -7.023 -9.051 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.989 -10.699 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.520 -10.759 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.083 -11.529 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.020 -13.383 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.313 -12.594 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.217 -15.228 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.973 -15.223 -2.556 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.197 -11.356 -3.862 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.178 -11.949 -4.720 1.00 0.00 C ATOM 1079 C VAL A 74 -2.588 -13.204 -4.086 1.00 0.00 C ATOM 1080 O VAL A 74 -2.331 -13.240 -2.883 1.00 0.00 O ATOM 1081 CB VAL A 74 -2.041 -10.952 -5.014 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.608 -9.596 -5.405 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.119 -10.827 -3.810 1.00 0.00 C ATOM 0 H VAL A 74 -3.848 -11.017 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.669 -12.215 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.457 -11.330 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.790 -8.905 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.224 -9.703 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.217 -9.207 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.321 -10.119 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.688 -10.472 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.686 -11.801 -3.581 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.376 -14.230 -4.904 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.816 -15.487 -4.421 1.00 0.00 C ATOM 1095 C GLU A 75 -2.669 -16.066 -3.296 1.00 0.00 C ATOM 1096 O GLU A 75 -2.174 -16.805 -2.445 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.381 -15.278 -3.933 1.00 0.00 C ATOM 1098 CG GLU A 75 0.511 -14.577 -4.944 1.00 0.00 C ATOM 1099 CD GLU A 75 1.969 -14.970 -4.808 1.00 0.00 C ATOM 1100 OE1 GLU A 75 2.245 -16.021 -4.193 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.833 -14.226 -5.316 1.00 0.00 O ATOM 0 H GLU A 75 -2.583 -14.216 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.810 -16.195 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.401 -14.694 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.055 -16.246 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.167 -14.813 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.416 -13.498 -4.820 1.00 0.00 H new ATOM 1108 N SER A 76 -3.953 -15.725 -3.300 1.00 0.00 N ATOM 1109 CA SER A 76 -4.875 -16.207 -2.278 1.00 0.00 C ATOM 1110 C SER A 76 -4.581 -15.555 -0.930 1.00 0.00 C ATOM 1111 O SER A 76 -4.819 -16.145 0.124 1.00 0.00 O ATOM 1112 CB SER A 76 -4.780 -17.729 -2.152 1.00 0.00 C ATOM 1113 OG SER A 76 -5.943 -18.264 -1.544 1.00 0.00 O ATOM 0 H SER A 76 -4.379 -15.117 -3.999 1.00 0.00 H new ATOM 0 HA SER A 76 -5.887 -15.937 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.646 -18.171 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.903 -17.994 -1.562 1.00 0.00 H new ATOM 0 HG SER A 76 -6.110 -17.803 -0.696 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.061 -14.332 -0.972 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.734 -13.598 0.245 1.00 0.00 C ATOM 1121 C VAL A 77 -4.154 -12.136 0.134 1.00 0.00 C ATOM 1122 O VAL A 77 -3.629 -11.392 -0.694 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.227 -13.666 0.554 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.865 -12.691 1.664 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.824 -15.085 0.927 1.00 0.00 C ATOM 0 H VAL A 77 -3.857 -13.829 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.285 -14.071 1.058 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.676 -13.380 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.796 -12.753 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.117 -11.677 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.422 -12.943 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.756 -15.115 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.381 -15.402 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.046 -15.756 0.097 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.102 -11.733 0.973 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.592 -10.360 0.969 1.00 0.00 C ATOM 1137 C GLN A 78 -4.534 -9.403 1.509 1.00 0.00 C ATOM 1138 O GLN A 78 -4.192 -9.443 2.692 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.870 -10.249 1.801 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.140 -10.484 1.000 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.264 -11.055 1.841 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -10.283 -10.401 2.064 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.085 -12.283 2.314 1.00 0.00 N ATOM 0 H GLN A 78 -5.546 -12.338 1.664 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.814 -10.083 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.826 -10.971 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.914 -9.258 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.465 -9.542 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.925 -11.166 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.225 -12.790 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.808 -12.719 2.886 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.019 -8.544 0.637 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.000 -7.576 1.026 1.00 0.00 C ATOM 1154 C LEU A 79 -3.607 -6.189 1.210 1.00 0.00 C ATOM 1155 O LEU A 79 -4.469 -5.769 0.438 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.890 -7.524 -0.025 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.919 -8.705 -0.036 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.263 -8.416 -0.948 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.443 -9.018 1.375 1.00 0.00 C ATOM 0 H LEU A 79 -4.291 -8.498 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.576 -7.895 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.353 -7.451 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.316 -6.610 0.126 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.444 -9.578 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.943 -9.268 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.094 -8.243 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.789 -7.530 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.247 -9.861 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.065 -8.147 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.299 -9.270 2.000 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.151 -5.481 2.238 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.646 -4.139 2.523 1.00 0.00 C ATOM 1173 C LYS A 80 -2.504 -3.128 2.532 1.00 0.00 C ATOM 1174 O LYS A 80 -1.650 -3.151 3.418 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.373 -4.117 3.869 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.813 -4.594 3.792 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.910 -6.102 3.950 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.353 -6.577 3.892 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.803 -6.813 2.492 1.00 0.00 N ATOM 0 H LYS A 80 -2.439 -5.814 2.888 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.346 -3.862 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.829 -4.743 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.356 -3.101 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.401 -4.107 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.244 -4.299 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.334 -6.589 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.466 -6.399 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.456 -7.498 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.999 -5.835 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.443 -6.048 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.977 -6.833 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.303 -7.723 2.437 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.496 -2.242 1.542 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.460 -1.221 1.438 1.00 0.00 C ATOM 1195 C VAL A 81 -2.028 0.167 1.713 1.00 0.00 C ATOM 1196 O VAL A 81 -3.183 0.450 1.399 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.802 -1.228 0.045 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.480 -0.411 0.056 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.531 -2.655 -0.407 1.00 0.00 C ATOM 0 H VAL A 81 -3.195 -2.210 0.800 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.706 -1.458 2.188 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.490 -0.770 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.931 -0.428 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.253 0.618 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.177 -0.837 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.066 -2.642 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.138 -3.141 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.470 -3.206 -0.456 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.206 1.031 2.300 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.625 2.391 2.618 1.00 0.00 C ATOM 1211 C ASN A 82 -0.458 3.365 2.488 1.00 0.00 C ATOM 1212 O ASN A 82 0.699 2.991 2.679 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.200 2.452 4.034 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.259 3.528 4.183 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -3.808 4.014 3.194 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -3.550 3.905 5.422 1.00 0.00 N ATOM 0 H ASN A 82 -0.245 0.813 2.565 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.398 2.682 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.631 1.484 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.393 2.639 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.254 4.625 5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.070 3.475 6.212 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.771 4.614 2.163 1.00 0.00 N ATOM 1224 CA ILE A 83 0.252 5.642 2.010 1.00 0.00 C ATOM 1225 C ILE A 83 0.866 6.012 3.356 1.00 0.00 C ATOM 1226 O ILE A 83 0.339 6.857 4.078 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.321 6.912 1.353 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.162 6.545 0.129 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.804 7.860 0.964 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.361 5.910 -0.987 1.00 0.00 C ATOM 0 H ILE A 83 -1.724 4.939 2.000 1.00 0.00 H new ATOM 0 HA ILE A 83 1.025 5.225 1.364 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.964 7.417 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.952 5.859 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.649 7.444 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.384 8.753 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.365 8.143 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.470 7.364 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.022 5.676 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.412 6.602 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.104 4.993 -0.625 1.00 0.00 H new ATOM 1242 N ALA A 84 1.984 5.374 3.685 1.00 0.00 N ATOM 1243 CA ALA A 84 2.673 5.638 4.942 1.00 0.00 C ATOM 1244 C ALA A 84 2.596 7.116 5.310 1.00 0.00 C ATOM 1245 O ALA A 84 2.577 7.983 4.435 1.00 0.00 O ATOM 1246 CB ALA A 84 4.124 5.189 4.854 1.00 0.00 C ATOM 0 H ALA A 84 2.432 4.670 3.098 1.00 0.00 H new ATOM 0 HA ALA A 84 2.175 5.068 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.626 5.392 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.162 4.120 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.625 5.733 4.053 1.00 0.00 H new ATOM 1252 N ARG A 85 2.551 7.397 6.608 1.00 0.00 N ATOM 1253 CA ARG A 85 2.475 8.770 7.091 1.00 0.00 C ATOM 1254 C ARG A 85 3.852 9.427 7.083 1.00 0.00 C ATOM 1255 O ARG A 85 4.039 10.497 6.504 1.00 0.00 O ATOM 1256 CB ARG A 85 1.889 8.805 8.503 1.00 0.00 C ATOM 1257 CG ARG A 85 1.383 10.177 8.919 1.00 0.00 C ATOM 1258 CD ARG A 85 2.500 11.031 9.497 1.00 0.00 C ATOM 1259 NE ARG A 85 2.012 12.323 9.972 1.00 0.00 N ATOM 1260 CZ ARG A 85 1.260 12.470 11.058 1.00 0.00 C ATOM 1261 NH1 ARG A 85 0.913 11.411 11.776 1.00 0.00 N ATOM 1262 NH2 ARG A 85 0.855 13.678 11.426 1.00 0.00 N ATOM 0 H ARG A 85 2.566 6.691 7.344 1.00 0.00 H new ATOM 0 HA ARG A 85 1.822 9.328 6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.068 8.090 8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.650 8.478 9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.947 10.682 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.590 10.065 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.975 10.498 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.265 11.190 8.737 1.00 0.00 H new ATOM 0 HE ARG A 85 2.262 13.158 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.223 10.481 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.336 11.526 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.121 14.495 10.876 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.278 13.790 12.259 1.00 0.00 H new ATOM 1276 N LYS A 86 4.814 8.779 7.732 1.00 0.00 N ATOM 1277 CA LYS A 86 6.175 9.298 7.800 1.00 0.00 C ATOM 1278 C LYS A 86 6.876 9.166 6.452 1.00 0.00 C ATOM 1279 O LYS A 86 7.635 8.223 6.228 1.00 0.00 O ATOM 1280 CB LYS A 86 6.971 8.557 8.877 1.00 0.00 C ATOM 1281 CG LYS A 86 6.701 9.057 10.285 1.00 0.00 C ATOM 1282 CD LYS A 86 7.417 10.368 10.559 1.00 0.00 C ATOM 1283 CE LYS A 86 7.650 10.577 12.048 1.00 0.00 C ATOM 1284 NZ LYS A 86 8.904 9.921 12.510 1.00 0.00 N ATOM 0 H LYS A 86 4.676 7.893 8.218 1.00 0.00 H new ATOM 0 HA LYS A 86 6.122 10.355 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.733 7.494 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.035 8.656 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.628 9.191 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.025 8.307 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.373 10.378 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.828 11.195 10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.699 11.645 12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.804 10.178 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.027 10.086 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.848 8.898 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.715 10.319 11.994 1.00 0.00 H new ATOM 1298 N GLN A 87 6.617 10.116 5.560 1.00 0.00 N ATOM 1299 CA GLN A 87 7.225 10.104 4.235 1.00 0.00 C ATOM 1300 C GLN A 87 7.880 11.447 3.924 1.00 0.00 C ATOM 1301 O GLN A 87 7.322 12.289 3.220 1.00 0.00 O ATOM 1302 CB GLN A 87 6.175 9.778 3.171 1.00 0.00 C ATOM 1303 CG GLN A 87 5.939 8.287 2.987 1.00 0.00 C ATOM 1304 CD GLN A 87 5.122 7.975 1.749 1.00 0.00 C ATOM 1305 OE1 GLN A 87 5.663 7.570 0.720 1.00 0.00 O ATOM 1306 NE2 GLN A 87 3.810 8.161 1.842 1.00 0.00 N ATOM 0 H GLN A 87 5.991 10.903 5.730 1.00 0.00 H new ATOM 0 HA GLN A 87 7.995 9.333 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.234 10.256 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.488 10.208 2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.900 7.776 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.427 7.893 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.403 8.498 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.209 7.967 1.041 1.00 0.00 H new ATOM 1315 N PRO A 88 9.092 11.653 4.461 1.00 0.00 N ATOM 1316 CA PRO A 88 9.848 12.891 4.255 1.00 0.00 C ATOM 1317 C PRO A 88 10.351 13.032 2.823 1.00 0.00 C ATOM 1318 O PRO A 88 10.121 12.159 1.986 1.00 0.00 O ATOM 1319 CB PRO A 88 11.025 12.753 5.224 1.00 0.00 C ATOM 1320 CG PRO A 88 11.195 11.284 5.407 1.00 0.00 C ATOM 1321 CD PRO A 88 9.816 10.693 5.311 1.00 0.00 C ATOM 0 HA PRO A 88 9.236 13.776 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.928 13.208 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.817 13.249 6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.852 10.869 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.649 11.061 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.835 9.698 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.352 10.595 6.292 1.00 0.00 H new ATOM 1329 N MET A 89 11.040 14.135 2.548 1.00 0.00 N ATOM 1330 CA MET A 89 11.577 14.388 1.216 1.00 0.00 C ATOM 1331 C MET A 89 12.849 13.580 0.980 1.00 0.00 C ATOM 1332 O MET A 89 13.653 13.388 1.894 1.00 0.00 O ATOM 1333 CB MET A 89 11.864 15.879 1.033 1.00 0.00 C ATOM 1334 CG MET A 89 12.932 16.412 1.975 1.00 0.00 C ATOM 1335 SD MET A 89 13.588 18.008 1.450 1.00 0.00 S ATOM 1336 CE MET A 89 15.091 17.500 0.620 1.00 0.00 C ATOM 0 H MET A 89 11.239 14.867 3.229 1.00 0.00 H new ATOM 0 HA MET A 89 10.830 14.077 0.485 1.00 0.00 H new ATOM 0 HB2 MET A 89 12.177 16.057 0.004 1.00 0.00 H new ATOM 0 HB3 MET A 89 10.942 16.440 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.513 16.508 2.977 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.747 15.691 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.611 18.379 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.736 16.974 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.843 16.837 -0.209 1.00 0.00 H new ATOM 1346 N LEU A 90 13.026 13.109 -0.249 1.00 0.00 N ATOM 1347 CA LEU A 90 14.202 12.321 -0.605 1.00 0.00 C ATOM 1348 C LEU A 90 15.130 13.111 -1.521 1.00 0.00 C ATOM 1349 O LEU A 90 16.321 13.252 -1.244 1.00 0.00 O ATOM 1350 CB LEU A 90 13.780 11.019 -1.287 1.00 0.00 C ATOM 1351 CG LEU A 90 13.493 9.838 -0.359 1.00 0.00 C ATOM 1352 CD1 LEU A 90 14.721 9.502 0.473 1.00 0.00 C ATOM 1353 CD2 LEU A 90 12.304 10.142 0.541 1.00 0.00 C ATOM 0 H LEU A 90 12.371 13.259 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 90 14.742 12.085 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.886 11.216 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.566 10.726 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 90 13.246 8.971 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.498 8.659 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.547 9.240 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.999 10.366 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.115 9.290 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.521 11.022 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.423 10.332 -0.072 1.00 0.00 H new ATOM 1365 N ASP A 91 14.576 13.627 -2.613 1.00 0.00 N ATOM 1366 CA ASP A 91 15.353 14.406 -3.570 1.00 0.00 C ATOM 1367 C ASP A 91 14.579 15.641 -4.021 1.00 0.00 C ATOM 1368 O ASP A 91 13.533 15.532 -4.660 1.00 0.00 O ATOM 1369 CB ASP A 91 15.719 13.548 -4.782 1.00 0.00 C ATOM 1370 CG ASP A 91 16.876 14.126 -5.572 1.00 0.00 C ATOM 1371 OD1 ASP A 91 16.899 15.357 -5.776 1.00 0.00 O ATOM 1372 OD2 ASP A 91 17.759 13.346 -5.988 1.00 0.00 O ATOM 0 H ASP A 91 13.592 13.520 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 91 16.268 14.733 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.977 12.543 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.850 13.454 -5.433 1.00 0.00 H new ATOM 1377 N SER A 92 15.100 16.816 -3.682 1.00 0.00 N ATOM 1378 CA SER A 92 14.456 18.072 -4.047 1.00 0.00 C ATOM 1379 C SER A 92 14.858 18.499 -5.456 1.00 0.00 C ATOM 1380 O SER A 92 14.011 18.655 -6.335 1.00 0.00 O ATOM 1381 CB SER A 92 14.823 19.169 -3.046 1.00 0.00 C ATOM 1382 OG SER A 92 16.229 19.292 -2.917 1.00 0.00 O ATOM 0 H SER A 92 15.967 16.924 -3.155 1.00 0.00 H new ATOM 0 HA SER A 92 13.377 17.917 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.400 20.119 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.384 18.941 -2.075 1.00 0.00 H new ATOM 0 HG SER A 92 16.438 20.001 -2.273 1.00 0.00 H new ATOM 1388 N GLY A 93 16.158 18.687 -5.662 1.00 0.00 N ATOM 1389 CA GLY A 93 16.651 19.094 -6.965 1.00 0.00 C ATOM 1390 C GLY A 93 16.252 20.514 -7.318 1.00 0.00 C ATOM 1391 O GLY A 93 15.181 20.991 -6.943 1.00 0.00 O ATOM 0 H GLY A 93 16.878 18.565 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.738 19.010 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.267 18.413 -7.724 1.00 0.00 H new ATOM 1395 N PRO A 94 17.127 21.213 -8.056 1.00 0.00 N ATOM 1396 CA PRO A 94 16.882 22.596 -8.475 1.00 0.00 C ATOM 1397 C PRO A 94 15.774 22.699 -9.516 1.00 0.00 C ATOM 1398 O PRO A 94 15.409 21.707 -10.148 1.00 0.00 O ATOM 1399 CB PRO A 94 18.223 23.027 -9.076 1.00 0.00 C ATOM 1400 CG PRO A 94 18.865 21.757 -9.518 1.00 0.00 C ATOM 1401 CD PRO A 94 18.423 20.706 -8.538 1.00 0.00 C ATOM 0 HA PRO A 94 16.550 23.221 -7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 94 18.080 23.711 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 94 18.838 23.547 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.560 21.498 -10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.951 21.851 -9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.321 19.730 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 94 19.138 20.590 -7.723 1.00 0.00 H new ATOM 1409 N SER A 95 15.242 23.904 -9.691 1.00 0.00 N ATOM 1410 CA SER A 95 14.172 24.135 -10.654 1.00 0.00 C ATOM 1411 C SER A 95 14.347 25.483 -11.347 1.00 0.00 C ATOM 1412 O SER A 95 14.399 26.526 -10.696 1.00 0.00 O ATOM 1413 CB SER A 95 12.810 24.080 -9.959 1.00 0.00 C ATOM 1414 OG SER A 95 12.508 22.762 -9.533 1.00 0.00 O ATOM 0 H SER A 95 15.535 24.736 -9.178 1.00 0.00 H new ATOM 0 HA SER A 95 14.219 23.349 -11.408 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.809 24.752 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.036 24.432 -10.641 1.00 0.00 H new ATOM 0 HG SER A 95 11.634 22.754 -9.090 1.00 0.00 H new ATOM 1420 N SER A 96 14.437 25.452 -12.673 1.00 0.00 N ATOM 1421 CA SER A 96 14.610 26.670 -13.456 1.00 0.00 C ATOM 1422 C SER A 96 13.295 27.088 -14.108 1.00 0.00 C ATOM 1423 O SER A 96 12.797 28.189 -13.876 1.00 0.00 O ATOM 1424 CB SER A 96 15.681 26.464 -14.529 1.00 0.00 C ATOM 1425 OG SER A 96 16.980 26.644 -13.993 1.00 0.00 O ATOM 0 H SER A 96 14.393 24.597 -13.227 1.00 0.00 H new ATOM 0 HA SER A 96 14.930 27.464 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 96 15.593 25.462 -14.948 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.521 27.167 -15.347 1.00 0.00 H new ATOM 0 HG SER A 96 17.647 26.505 -14.698 1.00 0.00 H new ATOM 1431 N GLY A 97 12.738 26.200 -14.925 1.00 0.00 N ATOM 1432 CA GLY A 97 11.486 26.494 -15.598 1.00 0.00 C ATOM 1433 C GLY A 97 10.726 25.240 -15.983 1.00 0.00 C ATOM 1434 O GLY A 97 11.067 24.141 -15.547 1.00 0.00 O ATOM 0 H GLY A 97 13.131 25.282 -15.133 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.863 27.107 -14.947 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.688 27.082 -16.493 1.00 0.00 H new TER 1438 GLY A 97