USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0151 (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 15 LYS NZ :NH3+ -126:sc= 0.094 (180deg=0) USER MOD Single : A 18 TYR OH : rot -106:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 37:sc= 0.216 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3.7!) USER MOD Single : A 41 SER OG : rot 35:sc= 0.937 USER MOD Single : A 49 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-0.6) USER MOD Single : A 50 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.29) USER MOD Single : A 58 HIS : no HD1:sc= -1.45! C(o=-1.4!,f=-6.3!) USER MOD Single : A 59 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 37:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.382 33.752 0.547 1.00 0.00 N ATOM 2 CA GLY A 1 5.739 33.400 1.909 1.00 0.00 C ATOM 3 C GLY A 1 6.726 32.252 1.972 1.00 0.00 C ATOM 4 O GLY A 1 7.597 32.125 1.111 1.00 0.00 O ATOM 0 H1 GLY A 1 5.405 34.786 0.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.060 33.320 -0.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.425 33.403 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.167 34.271 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.838 33.131 2.459 1.00 0.00 H new ATOM 8 N SER A 2 6.591 31.413 2.994 1.00 0.00 N ATOM 9 CA SER A 2 7.482 30.272 3.169 1.00 0.00 C ATOM 10 C SER A 2 7.246 29.227 2.083 1.00 0.00 C ATOM 11 O SER A 2 6.132 28.733 1.913 1.00 0.00 O ATOM 12 CB SER A 2 7.276 29.645 4.550 1.00 0.00 C ATOM 13 OG SER A 2 7.746 30.502 5.575 1.00 0.00 O ATOM 0 H SER A 2 5.873 31.502 3.713 1.00 0.00 H new ATOM 0 HA SER A 2 8.509 30.628 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.217 29.436 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.800 28.691 4.601 1.00 0.00 H new ATOM 0 HG SER A 2 7.601 30.079 6.447 1.00 0.00 H new ATOM 19 N SER A 3 8.304 28.896 1.350 1.00 0.00 N ATOM 20 CA SER A 3 8.213 27.913 0.277 1.00 0.00 C ATOM 21 C SER A 3 8.365 26.496 0.824 1.00 0.00 C ATOM 22 O SER A 3 9.338 26.183 1.508 1.00 0.00 O ATOM 23 CB SER A 3 9.286 28.180 -0.781 1.00 0.00 C ATOM 24 OG SER A 3 9.010 29.372 -1.496 1.00 0.00 O ATOM 0 H SER A 3 9.234 29.294 1.480 1.00 0.00 H new ATOM 0 HA SER A 3 7.229 28.004 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.262 28.257 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.336 27.340 -1.474 1.00 0.00 H new ATOM 0 HG SER A 3 9.710 29.522 -2.165 1.00 0.00 H new ATOM 30 N GLY A 4 7.393 25.643 0.516 1.00 0.00 N ATOM 31 CA GLY A 4 7.435 24.270 0.984 1.00 0.00 C ATOM 32 C GLY A 4 6.475 23.370 0.231 1.00 0.00 C ATOM 33 O GLY A 4 5.366 23.781 -0.109 1.00 0.00 O ATOM 0 H GLY A 4 6.577 25.878 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.449 23.884 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.194 24.244 2.047 1.00 0.00 H new ATOM 37 N SER A 5 6.903 22.140 -0.033 1.00 0.00 N ATOM 38 CA SER A 5 6.075 21.181 -0.756 1.00 0.00 C ATOM 39 C SER A 5 5.171 20.412 0.203 1.00 0.00 C ATOM 40 O SER A 5 5.542 20.148 1.346 1.00 0.00 O ATOM 41 CB SER A 5 6.955 20.205 -1.540 1.00 0.00 C ATOM 42 OG SER A 5 7.401 20.783 -2.754 1.00 0.00 O ATOM 0 H SER A 5 7.818 21.784 0.243 1.00 0.00 H new ATOM 0 HA SER A 5 5.447 21.734 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.814 19.917 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.394 19.294 -1.751 1.00 0.00 H new ATOM 0 HG SER A 5 7.963 20.140 -3.235 1.00 0.00 H new ATOM 48 N SER A 6 3.983 20.055 -0.273 1.00 0.00 N ATOM 49 CA SER A 6 3.023 19.319 0.542 1.00 0.00 C ATOM 50 C SER A 6 3.210 17.814 0.375 1.00 0.00 C ATOM 51 O SER A 6 3.264 17.303 -0.743 1.00 0.00 O ATOM 52 CB SER A 6 1.594 19.711 0.163 1.00 0.00 C ATOM 53 OG SER A 6 0.647 18.891 0.826 1.00 0.00 O ATOM 0 H SER A 6 3.662 20.263 -1.218 1.00 0.00 H new ATOM 0 HA SER A 6 3.198 19.576 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.419 20.755 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.464 19.623 -0.916 1.00 0.00 H new ATOM 0 HG SER A 6 -0.259 19.163 0.568 1.00 0.00 H new ATOM 59 N GLY A 7 3.310 17.108 1.498 1.00 0.00 N ATOM 60 CA GLY A 7 3.490 15.669 1.456 1.00 0.00 C ATOM 61 C GLY A 7 2.198 14.915 1.702 1.00 0.00 C ATOM 62 O GLY A 7 1.870 14.588 2.842 1.00 0.00 O ATOM 0 H GLY A 7 3.269 17.508 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.893 15.385 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.226 15.376 2.205 1.00 0.00 H new ATOM 66 N GLU A 8 1.461 14.641 0.629 1.00 0.00 N ATOM 67 CA GLU A 8 0.196 13.923 0.736 1.00 0.00 C ATOM 68 C GLU A 8 0.390 12.435 0.456 1.00 0.00 C ATOM 69 O GLU A 8 1.276 12.029 -0.296 1.00 0.00 O ATOM 70 CB GLU A 8 -0.830 14.507 -0.238 1.00 0.00 C ATOM 71 CG GLU A 8 -0.561 14.152 -1.690 1.00 0.00 C ATOM 72 CD GLU A 8 -1.600 14.728 -2.633 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.819 15.957 -2.596 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.193 13.950 -3.409 1.00 0.00 O ATOM 0 H GLU A 8 1.718 14.905 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.174 14.038 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.823 14.151 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.841 15.592 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.425 14.520 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.540 13.067 -1.797 1.00 0.00 H new ATOM 81 N PRO A 9 -0.458 11.602 1.077 1.00 0.00 N ATOM 82 CA PRO A 9 -0.402 10.147 0.912 1.00 0.00 C ATOM 83 C PRO A 9 -0.833 9.705 -0.483 1.00 0.00 C ATOM 84 O PRO A 9 -1.506 10.447 -1.198 1.00 0.00 O ATOM 85 CB PRO A 9 -1.386 9.631 1.965 1.00 0.00 C ATOM 86 CG PRO A 9 -2.338 10.757 2.177 1.00 0.00 C ATOM 87 CD PRO A 9 -1.538 12.017 1.988 1.00 0.00 C ATOM 0 HA PRO A 9 0.611 9.762 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.902 8.736 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.874 9.366 2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.164 10.709 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.773 10.717 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.142 12.816 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.145 12.389 2.934 1.00 0.00 H new ATOM 95 N ILE A 10 -0.443 8.492 -0.861 1.00 0.00 N ATOM 96 CA ILE A 10 -0.792 7.952 -2.169 1.00 0.00 C ATOM 97 C ILE A 10 -1.848 6.859 -2.048 1.00 0.00 C ATOM 98 O ILE A 10 -1.614 5.823 -1.427 1.00 0.00 O ATOM 99 CB ILE A 10 0.444 7.380 -2.889 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.530 8.450 -3.013 1.00 0.00 C ATOM 101 CG2 ILE A 10 0.057 6.848 -4.261 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.869 7.903 -3.457 1.00 0.00 C ATOM 0 H ILE A 10 0.114 7.865 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.194 8.778 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 10 0.841 6.554 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.202 9.208 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.651 8.947 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.940 6.447 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.686 6.058 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.361 7.657 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.591 8.717 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.219 7.166 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.763 7.431 -4.434 1.00 0.00 H new ATOM 114 N GLU A 11 -3.010 7.097 -2.648 1.00 0.00 N ATOM 115 CA GLU A 11 -4.102 6.131 -2.608 1.00 0.00 C ATOM 116 C GLU A 11 -3.846 4.980 -3.577 1.00 0.00 C ATOM 117 O GLU A 11 -3.859 5.165 -4.794 1.00 0.00 O ATOM 118 CB GLU A 11 -5.428 6.813 -2.949 1.00 0.00 C ATOM 119 CG GLU A 11 -6.126 7.423 -1.744 1.00 0.00 C ATOM 120 CD GLU A 11 -7.236 8.379 -2.135 1.00 0.00 C ATOM 121 OE1 GLU A 11 -7.044 9.150 -3.099 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.297 8.356 -1.477 1.00 0.00 O ATOM 0 H GLU A 11 -3.220 7.950 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.159 5.727 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.246 7.594 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.093 6.085 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.539 6.626 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.394 7.952 -1.134 1.00 0.00 H new ATOM 129 N ALA A 12 -3.612 3.793 -3.028 1.00 0.00 N ATOM 130 CA ALA A 12 -3.355 2.612 -3.842 1.00 0.00 C ATOM 131 C ALA A 12 -4.477 1.589 -3.697 1.00 0.00 C ATOM 132 O ALA A 12 -5.275 1.659 -2.762 1.00 0.00 O ATOM 133 CB ALA A 12 -2.019 1.990 -3.463 1.00 0.00 C ATOM 0 H ALA A 12 -3.595 3.624 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.316 2.923 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.840 1.109 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.221 2.715 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.037 1.701 -2.412 1.00 0.00 H new ATOM 139 N ILE A 13 -4.532 0.642 -4.628 1.00 0.00 N ATOM 140 CA ILE A 13 -5.557 -0.394 -4.602 1.00 0.00 C ATOM 141 C ILE A 13 -4.933 -1.785 -4.654 1.00 0.00 C ATOM 142 O ILE A 13 -4.072 -2.059 -5.488 1.00 0.00 O ATOM 143 CB ILE A 13 -6.541 -0.241 -5.777 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.177 1.150 -5.760 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.612 -1.320 -5.714 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.010 1.419 -4.526 1.00 0.00 C ATOM 0 H ILE A 13 -3.879 0.571 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.101 -0.277 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.990 -0.357 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.390 1.901 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.804 1.265 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.300 -1.199 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.143 -2.302 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.162 -1.233 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.430 2.423 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.819 0.691 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.383 1.337 -3.638 1.00 0.00 H new ATOM 158 N ALA A 14 -5.376 -2.659 -3.756 1.00 0.00 N ATOM 159 CA ALA A 14 -4.865 -4.023 -3.702 1.00 0.00 C ATOM 160 C ALA A 14 -4.933 -4.690 -5.071 1.00 0.00 C ATOM 161 O ALA A 14 -5.996 -4.758 -5.689 1.00 0.00 O ATOM 162 CB ALA A 14 -5.641 -4.837 -2.677 1.00 0.00 C ATOM 0 H ALA A 14 -6.087 -2.447 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.819 -3.981 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.249 -5.854 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.536 -4.379 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.695 -4.863 -2.955 1.00 0.00 H new ATOM 168 N LYS A 15 -3.792 -5.182 -5.542 1.00 0.00 N ATOM 169 CA LYS A 15 -3.721 -5.845 -6.839 1.00 0.00 C ATOM 170 C LYS A 15 -4.186 -7.294 -6.735 1.00 0.00 C ATOM 171 O LYS A 15 -4.795 -7.829 -7.662 1.00 0.00 O ATOM 172 CB LYS A 15 -2.292 -5.794 -7.384 1.00 0.00 C ATOM 173 CG LYS A 15 -2.220 -5.751 -8.900 1.00 0.00 C ATOM 174 CD LYS A 15 -0.887 -5.202 -9.380 1.00 0.00 C ATOM 175 CE LYS A 15 0.145 -6.307 -9.543 1.00 0.00 C ATOM 176 NZ LYS A 15 1.536 -5.774 -9.529 1.00 0.00 N ATOM 0 H LYS A 15 -2.903 -5.134 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.383 -5.318 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.789 -4.915 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.745 -6.667 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.367 -6.754 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.030 -5.132 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.025 -4.689 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.520 -4.462 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.027 -7.035 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.032 -6.834 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.039 -6.093 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.509 -4.734 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.033 -6.122 -8.684 1.00 0.00 H new ATOM 190 N PHE A 16 -3.895 -7.924 -5.602 1.00 0.00 N ATOM 191 CA PHE A 16 -4.284 -9.312 -5.377 1.00 0.00 C ATOM 192 C PHE A 16 -4.310 -9.635 -3.886 1.00 0.00 C ATOM 193 O PHE A 16 -3.507 -9.112 -3.113 1.00 0.00 O ATOM 194 CB PHE A 16 -3.320 -10.257 -6.099 1.00 0.00 C ATOM 195 CG PHE A 16 -3.132 -9.926 -7.552 1.00 0.00 C ATOM 196 CD1 PHE A 16 -4.147 -10.160 -8.466 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.941 -9.382 -8.004 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.977 -9.858 -9.804 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.765 -9.078 -9.341 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.784 -9.315 -10.241 1.00 0.00 C ATOM 0 H PHE A 16 -3.391 -7.496 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.288 -9.452 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.352 -10.227 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.692 -11.278 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.082 -10.583 -8.129 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.141 -9.193 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.775 -10.046 -10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.831 -8.655 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.649 -9.076 -11.286 1.00 0.00 H new ATOM 210 N ASP A 17 -5.238 -10.499 -3.491 1.00 0.00 N ATOM 211 CA ASP A 17 -5.369 -10.893 -2.093 1.00 0.00 C ATOM 212 C ASP A 17 -4.000 -11.131 -1.464 1.00 0.00 C ATOM 213 O ASP A 17 -3.256 -12.016 -1.888 1.00 0.00 O ATOM 214 CB ASP A 17 -6.225 -12.155 -1.975 1.00 0.00 C ATOM 215 CG ASP A 17 -5.498 -13.394 -2.457 1.00 0.00 C ATOM 216 OD1 ASP A 17 -4.918 -13.349 -3.563 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.509 -14.410 -1.731 1.00 0.00 O ATOM 0 H ASP A 17 -5.910 -10.940 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.858 -10.080 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.522 -12.293 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.140 -12.026 -2.554 1.00 0.00 H new ATOM 222 N TYR A 18 -3.673 -10.335 -0.452 1.00 0.00 N ATOM 223 CA TYR A 18 -2.391 -10.457 0.233 1.00 0.00 C ATOM 224 C TYR A 18 -2.590 -10.614 1.737 1.00 0.00 C ATOM 225 O TYR A 18 -3.488 -10.010 2.323 1.00 0.00 O ATOM 226 CB TYR A 18 -1.519 -9.234 -0.052 1.00 0.00 C ATOM 227 CG TYR A 18 -0.164 -9.286 0.618 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.902 -9.948 0.022 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.048 -8.676 1.848 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.141 -9.999 0.632 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.284 -8.721 2.464 1.00 0.00 C ATOM 232 CZ TYR A 18 2.327 -9.384 1.852 1.00 0.00 C ATOM 233 OH TYR A 18 3.559 -9.432 2.463 1.00 0.00 O ATOM 0 H TYR A 18 -4.278 -9.599 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.890 -11.348 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.379 -9.141 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.045 -8.338 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.760 -10.431 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.767 -8.158 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.960 -10.518 0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.432 -8.240 3.419 1.00 0.00 H new ATOM 0 HH TYR A 18 3.524 -10.052 3.221 1.00 0.00 H new ATOM 243 N VAL A 19 -1.744 -11.431 2.357 1.00 0.00 N ATOM 244 CA VAL A 19 -1.825 -11.668 3.793 1.00 0.00 C ATOM 245 C VAL A 19 -0.477 -11.433 4.465 1.00 0.00 C ATOM 246 O VAL A 19 0.479 -12.175 4.240 1.00 0.00 O ATOM 247 CB VAL A 19 -2.295 -13.102 4.100 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.385 -14.119 3.428 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.350 -13.335 5.603 1.00 0.00 C ATOM 0 H VAL A 19 -0.995 -11.940 1.887 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.554 -10.962 4.189 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.300 -13.229 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.733 -15.126 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.402 -13.965 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.367 -13.995 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.684 -14.353 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.358 -13.189 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.047 -12.630 6.055 1.00 0.00 H new ATOM 259 N GLY A 20 -0.407 -10.394 5.293 1.00 0.00 N ATOM 260 CA GLY A 20 0.829 -10.080 5.986 1.00 0.00 C ATOM 261 C GLY A 20 1.421 -11.284 6.691 1.00 0.00 C ATOM 262 O GLY A 20 0.990 -11.644 7.786 1.00 0.00 O ATOM 0 H GLY A 20 -1.184 -9.765 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.553 -9.689 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.643 -9.291 6.715 1.00 0.00 H new ATOM 266 N ARG A 21 2.411 -11.908 6.061 1.00 0.00 N ATOM 267 CA ARG A 21 3.061 -13.081 6.634 1.00 0.00 C ATOM 268 C ARG A 21 3.495 -12.813 8.072 1.00 0.00 C ATOM 269 O ARG A 21 3.386 -13.683 8.938 1.00 0.00 O ATOM 270 CB ARG A 21 4.273 -13.481 5.790 1.00 0.00 C ATOM 271 CG ARG A 21 3.944 -14.471 4.685 1.00 0.00 C ATOM 272 CD ARG A 21 3.838 -15.890 5.221 1.00 0.00 C ATOM 273 NE ARG A 21 5.098 -16.354 5.796 1.00 0.00 N ATOM 274 CZ ARG A 21 5.420 -16.206 7.077 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.579 -15.611 7.911 1.00 0.00 N ATOM 276 NH2 ARG A 21 6.586 -16.655 7.525 1.00 0.00 N ATOM 0 H ARG A 21 2.780 -11.621 5.154 1.00 0.00 H new ATOM 0 HA ARG A 21 2.342 -13.900 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.708 -12.585 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.032 -13.915 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.004 -14.189 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.715 -14.428 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.056 -15.934 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.539 -16.560 4.415 1.00 0.00 H new ATOM 0 HE ARG A 21 5.767 -16.817 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.682 -15.265 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.829 -15.499 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.235 -17.114 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.833 -16.541 8.508 1.00 0.00 H new ATOM 290 N THR A 22 3.989 -11.604 8.321 1.00 0.00 N ATOM 291 CA THR A 22 4.441 -11.222 9.653 1.00 0.00 C ATOM 292 C THR A 22 3.691 -9.995 10.157 1.00 0.00 C ATOM 293 O THR A 22 2.864 -9.425 9.446 1.00 0.00 O ATOM 294 CB THR A 22 5.953 -10.928 9.670 1.00 0.00 C ATOM 295 OG1 THR A 22 6.251 -9.841 8.787 1.00 0.00 O ATOM 296 CG2 THR A 22 6.747 -12.158 9.255 1.00 0.00 C ATOM 0 H THR A 22 4.086 -10.872 7.617 1.00 0.00 H new ATOM 0 HA THR A 22 4.235 -12.066 10.311 1.00 0.00 H new ATOM 0 HB THR A 22 6.237 -10.657 10.687 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.214 -9.659 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.812 -11.927 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.540 -12.975 9.946 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.458 -12.454 8.247 1.00 0.00 H new ATOM 304 N ALA A 23 3.985 -9.592 11.389 1.00 0.00 N ATOM 305 CA ALA A 23 3.340 -8.430 11.987 1.00 0.00 C ATOM 306 C ALA A 23 3.549 -7.185 11.132 1.00 0.00 C ATOM 307 O ALA A 23 2.607 -6.437 10.867 1.00 0.00 O ATOM 308 CB ALA A 23 3.868 -8.200 13.396 1.00 0.00 C ATOM 0 H ALA A 23 4.666 -10.053 11.992 1.00 0.00 H new ATOM 0 HA ALA A 23 2.269 -8.627 12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.378 -7.329 13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.661 -9.077 14.010 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.944 -8.029 13.358 1.00 0.00 H new ATOM 314 N ARG A 24 4.788 -6.968 10.704 1.00 0.00 N ATOM 315 CA ARG A 24 5.120 -5.812 9.880 1.00 0.00 C ATOM 316 C ARG A 24 4.217 -5.741 8.652 1.00 0.00 C ATOM 317 O ARG A 24 3.599 -4.712 8.384 1.00 0.00 O ATOM 318 CB ARG A 24 6.586 -5.873 9.445 1.00 0.00 C ATOM 319 CG ARG A 24 7.538 -5.195 10.416 1.00 0.00 C ATOM 320 CD ARG A 24 8.043 -6.166 11.472 1.00 0.00 C ATOM 321 NE ARG A 24 8.712 -5.479 12.573 1.00 0.00 N ATOM 322 CZ ARG A 24 9.059 -6.074 13.709 1.00 0.00 C ATOM 323 NH1 ARG A 24 8.801 -7.362 13.892 1.00 0.00 N ATOM 324 NH2 ARG A 24 9.665 -5.381 14.664 1.00 0.00 N ATOM 0 H ARG A 24 5.579 -7.577 10.914 1.00 0.00 H new ATOM 0 HA ARG A 24 4.962 -4.914 10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.879 -6.917 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.685 -5.405 8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.384 -4.780 9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.032 -4.360 10.900 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.206 -6.745 11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.734 -6.873 11.013 1.00 0.00 H new ATOM 0 HE ARG A 24 8.925 -4.487 12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.335 -7.898 13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.068 -7.817 14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.865 -4.390 14.527 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.931 -5.839 15.536 1.00 0.00 H new ATOM 338 N GLU A 25 4.147 -6.843 7.911 1.00 0.00 N ATOM 339 CA GLU A 25 3.321 -6.905 6.712 1.00 0.00 C ATOM 340 C GLU A 25 1.841 -6.786 7.064 1.00 0.00 C ATOM 341 O GLU A 25 1.406 -7.234 8.126 1.00 0.00 O ATOM 342 CB GLU A 25 3.573 -8.212 5.958 1.00 0.00 C ATOM 343 CG GLU A 25 5.024 -8.410 5.551 1.00 0.00 C ATOM 344 CD GLU A 25 5.314 -9.825 5.092 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.362 -10.520 4.677 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.490 -10.239 5.149 1.00 0.00 O ATOM 0 H GLU A 25 4.652 -7.704 8.120 1.00 0.00 H new ATOM 0 HA GLU A 25 3.593 -6.066 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.263 -9.048 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.948 -8.233 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.270 -7.714 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.670 -8.166 6.394 1.00 0.00 H new ATOM 353 N LEU A 26 1.072 -6.178 6.167 1.00 0.00 N ATOM 354 CA LEU A 26 -0.360 -5.999 6.382 1.00 0.00 C ATOM 355 C LEU A 26 -1.166 -6.937 5.489 1.00 0.00 C ATOM 356 O LEU A 26 -0.824 -7.150 4.326 1.00 0.00 O ATOM 357 CB LEU A 26 -0.759 -4.548 6.109 1.00 0.00 C ATOM 358 CG LEU A 26 -0.028 -3.485 6.930 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.299 -2.098 6.370 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.444 -3.563 8.392 1.00 0.00 C ATOM 0 H LEU A 26 1.416 -5.801 5.284 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.579 -6.240 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.593 -4.339 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.829 -4.446 6.290 1.00 0.00 H new ATOM 0 HG LEU A 26 1.043 -3.676 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.229 -1.355 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.048 -2.048 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.369 -1.895 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.086 -2.800 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.518 -3.397 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.198 -4.548 8.788 1.00 0.00 H new ATOM 372 N SER A 27 -2.240 -7.494 6.040 1.00 0.00 N ATOM 373 CA SER A 27 -3.094 -8.410 5.294 1.00 0.00 C ATOM 374 C SER A 27 -4.289 -7.673 4.697 1.00 0.00 C ATOM 375 O SER A 27 -5.069 -7.047 5.414 1.00 0.00 O ATOM 376 CB SER A 27 -3.580 -9.541 6.202 1.00 0.00 C ATOM 377 OG SER A 27 -4.247 -9.029 7.343 1.00 0.00 O ATOM 0 H SER A 27 -2.539 -7.327 7.001 1.00 0.00 H new ATOM 0 HA SER A 27 -2.507 -8.834 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.253 -10.194 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.732 -10.150 6.515 1.00 0.00 H new ATOM 0 HG SER A 27 -4.760 -8.233 7.092 1.00 0.00 H new ATOM 383 N PHE A 28 -4.426 -7.753 3.377 1.00 0.00 N ATOM 384 CA PHE A 28 -5.525 -7.094 2.681 1.00 0.00 C ATOM 385 C PHE A 28 -6.061 -7.973 1.556 1.00 0.00 C ATOM 386 O PHE A 28 -5.488 -9.016 1.239 1.00 0.00 O ATOM 387 CB PHE A 28 -5.065 -5.748 2.117 1.00 0.00 C ATOM 388 CG PHE A 28 -3.786 -5.832 1.334 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.795 -6.229 0.007 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.574 -5.515 1.926 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.620 -6.307 -0.717 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.395 -5.591 1.208 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.418 -5.988 -0.115 1.00 0.00 C ATOM 0 H PHE A 28 -3.790 -8.268 2.768 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.327 -6.924 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.849 -5.345 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.933 -5.045 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.732 -6.481 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.550 -5.205 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.642 -6.617 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.457 -5.340 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.498 -6.049 -0.678 1.00 0.00 H new ATOM 403 N LYS A 29 -7.167 -7.546 0.955 1.00 0.00 N ATOM 404 CA LYS A 29 -7.783 -8.292 -0.136 1.00 0.00 C ATOM 405 C LYS A 29 -7.804 -7.465 -1.417 1.00 0.00 C ATOM 406 O LYS A 29 -7.659 -6.242 -1.382 1.00 0.00 O ATOM 407 CB LYS A 29 -9.207 -8.704 0.241 1.00 0.00 C ATOM 408 CG LYS A 29 -9.273 -9.648 1.429 1.00 0.00 C ATOM 409 CD LYS A 29 -8.975 -11.081 1.020 1.00 0.00 C ATOM 410 CE LYS A 29 -9.123 -12.038 2.193 1.00 0.00 C ATOM 411 NZ LYS A 29 -8.637 -13.405 1.858 1.00 0.00 N ATOM 0 H LYS A 29 -7.655 -6.686 1.206 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.187 -9.187 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.788 -7.809 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.678 -9.182 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.559 -9.329 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.263 -9.596 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.650 -11.379 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.962 -11.144 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.566 -11.654 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.170 -12.088 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.755 -14.027 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.185 -13.782 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.631 -13.362 1.598 1.00 0.00 H new ATOM 425 N LYS A 30 -7.987 -8.138 -2.548 1.00 0.00 N ATOM 426 CA LYS A 30 -8.030 -7.465 -3.841 1.00 0.00 C ATOM 427 C LYS A 30 -9.157 -6.438 -3.882 1.00 0.00 C ATOM 428 O LYS A 30 -10.304 -6.748 -3.565 1.00 0.00 O ATOM 429 CB LYS A 30 -8.216 -8.488 -4.964 1.00 0.00 C ATOM 430 CG LYS A 30 -8.354 -7.860 -6.341 1.00 0.00 C ATOM 431 CD LYS A 30 -8.444 -8.917 -7.429 1.00 0.00 C ATOM 432 CE LYS A 30 -9.213 -8.408 -8.638 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.302 -9.435 -9.713 1.00 0.00 N ATOM 0 H LYS A 30 -8.108 -9.150 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.083 -6.945 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.365 -9.170 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.103 -9.086 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.244 -7.232 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.500 -7.211 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.440 -9.214 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.933 -9.807 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.217 -8.115 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.725 -7.515 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.834 -9.049 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.344 -9.697 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.790 -10.278 -9.348 1.00 0.00 H new ATOM 447 N GLY A 31 -8.821 -5.214 -4.277 1.00 0.00 N ATOM 448 CA GLY A 31 -9.817 -4.160 -4.354 1.00 0.00 C ATOM 449 C GLY A 31 -9.812 -3.268 -3.129 1.00 0.00 C ATOM 450 O GLY A 31 -10.115 -2.079 -3.218 1.00 0.00 O ATOM 0 H GLY A 31 -7.878 -4.933 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.633 -3.554 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.805 -4.606 -4.471 1.00 0.00 H new ATOM 454 N ALA A 32 -9.470 -3.844 -1.981 1.00 0.00 N ATOM 455 CA ALA A 32 -9.427 -3.092 -0.732 1.00 0.00 C ATOM 456 C ALA A 32 -8.575 -1.836 -0.876 1.00 0.00 C ATOM 457 O ALA A 32 -7.438 -1.896 -1.344 1.00 0.00 O ATOM 458 CB ALA A 32 -8.895 -3.968 0.393 1.00 0.00 C ATOM 0 H ALA A 32 -9.219 -4.828 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.443 -2.783 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.868 -3.394 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.547 -4.832 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.888 -4.306 0.146 1.00 0.00 H new ATOM 464 N SER A 33 -9.132 -0.699 -0.472 1.00 0.00 N ATOM 465 CA SER A 33 -8.424 0.573 -0.560 1.00 0.00 C ATOM 466 C SER A 33 -7.314 0.650 0.484 1.00 0.00 C ATOM 467 O SER A 33 -7.543 0.404 1.670 1.00 0.00 O ATOM 468 CB SER A 33 -9.398 1.737 -0.373 1.00 0.00 C ATOM 469 OG SER A 33 -8.704 2.964 -0.227 1.00 0.00 O ATOM 0 H SER A 33 -10.072 -0.632 -0.080 1.00 0.00 H new ATOM 0 HA SER A 33 -7.973 0.642 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.069 1.795 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.018 1.559 0.506 1.00 0.00 H new ATOM 0 HG SER A 33 -9.349 3.693 -0.110 1.00 0.00 H new ATOM 475 N LEU A 34 -6.112 0.994 0.036 1.00 0.00 N ATOM 476 CA LEU A 34 -4.965 1.105 0.931 1.00 0.00 C ATOM 477 C LEU A 34 -4.228 2.422 0.711 1.00 0.00 C ATOM 478 O LEU A 34 -3.991 2.831 -0.426 1.00 0.00 O ATOM 479 CB LEU A 34 -4.009 -0.070 0.714 1.00 0.00 C ATOM 480 CG LEU A 34 -4.647 -1.458 0.683 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.849 -2.394 -0.212 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.755 -2.027 2.091 1.00 0.00 C ATOM 0 H LEU A 34 -5.906 1.201 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.332 1.083 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.481 0.086 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.260 -0.054 1.506 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.652 -1.365 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.319 -3.377 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.824 -1.994 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.831 -2.482 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.212 -3.016 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.760 -2.105 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.371 -1.368 2.703 1.00 0.00 H new ATOM 494 N LEU A 35 -3.867 3.081 1.807 1.00 0.00 N ATOM 495 CA LEU A 35 -3.154 4.352 1.734 1.00 0.00 C ATOM 496 C LEU A 35 -1.655 4.148 1.924 1.00 0.00 C ATOM 497 O LEU A 35 -1.227 3.290 2.699 1.00 0.00 O ATOM 498 CB LEU A 35 -3.687 5.319 2.794 1.00 0.00 C ATOM 499 CG LEU A 35 -3.627 6.805 2.438 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.884 7.226 1.693 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.440 7.646 3.692 1.00 0.00 C ATOM 0 H LEU A 35 -4.056 2.757 2.755 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.321 4.778 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.724 5.058 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.124 5.163 3.715 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.770 6.969 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.824 8.286 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.974 6.646 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.756 7.048 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.399 8.701 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.276 7.478 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.510 7.362 4.185 1.00 0.00 H new ATOM 513 N LEU A 36 -0.860 4.941 1.214 1.00 0.00 N ATOM 514 CA LEU A 36 0.593 4.849 1.306 1.00 0.00 C ATOM 515 C LEU A 36 1.191 6.159 1.807 1.00 0.00 C ATOM 516 O LEU A 36 0.758 7.242 1.412 1.00 0.00 O ATOM 517 CB LEU A 36 1.188 4.492 -0.057 1.00 0.00 C ATOM 518 CG LEU A 36 0.638 3.228 -0.720 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.385 2.934 -2.011 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.727 2.045 0.232 1.00 0.00 C ATOM 0 H LEU A 36 -1.197 5.655 0.568 1.00 0.00 H new ATOM 0 HA LEU A 36 0.838 4.063 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.027 5.332 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.266 4.378 0.058 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.411 3.395 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.980 2.031 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.269 3.772 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.443 2.787 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.331 1.154 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.768 1.876 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.145 2.256 1.129 1.00 0.00 H new ATOM 532 N TYR A 37 2.189 6.053 2.677 1.00 0.00 N ATOM 533 CA TYR A 37 2.847 7.230 3.233 1.00 0.00 C ATOM 534 C TYR A 37 4.272 7.359 2.701 1.00 0.00 C ATOM 535 O TYR A 37 4.681 8.427 2.248 1.00 0.00 O ATOM 536 CB TYR A 37 2.866 7.156 4.761 1.00 0.00 C ATOM 537 CG TYR A 37 1.488 7.092 5.380 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.486 7.970 4.985 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.189 6.155 6.362 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.774 7.916 5.549 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.069 6.093 6.930 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.047 6.975 6.521 1.00 0.00 C ATOM 543 OH TYR A 37 -2.300 6.917 7.085 1.00 0.00 O ATOM 0 H TYR A 37 2.560 5.164 3.013 1.00 0.00 H new ATOM 0 HA TYR A 37 2.282 8.110 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.434 6.277 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.391 8.027 5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.696 8.707 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.953 5.464 6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.541 8.606 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.285 5.357 7.691 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.326 6.199 7.751 1.00 0.00 H new ATOM 553 N GLN A 38 5.020 6.263 2.761 1.00 0.00 N ATOM 554 CA GLN A 38 6.399 6.253 2.286 1.00 0.00 C ATOM 555 C GLN A 38 6.733 4.927 1.611 1.00 0.00 C ATOM 556 O GLN A 38 5.966 3.967 1.694 1.00 0.00 O ATOM 557 CB GLN A 38 7.362 6.504 3.448 1.00 0.00 C ATOM 558 CG GLN A 38 8.639 7.220 3.035 1.00 0.00 C ATOM 559 CD GLN A 38 9.748 6.261 2.652 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.891 5.190 3.243 1.00 0.00 O ATOM 561 NE2 GLN A 38 10.542 6.640 1.657 1.00 0.00 N ATOM 0 H GLN A 38 4.695 5.371 3.133 1.00 0.00 H new ATOM 0 HA GLN A 38 6.510 7.051 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.853 7.095 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.622 5.550 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.426 7.878 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.978 7.852 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.388 7.536 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.306 6.035 1.355 1.00 0.00 H new ATOM 570 N ARG A 39 7.880 4.881 0.942 1.00 0.00 N ATOM 571 CA ARG A 39 8.315 3.674 0.251 1.00 0.00 C ATOM 572 C ARG A 39 9.408 2.959 1.039 1.00 0.00 C ATOM 573 O ARG A 39 10.584 3.310 0.945 1.00 0.00 O ATOM 574 CB ARG A 39 8.822 4.017 -1.151 1.00 0.00 C ATOM 575 CG ARG A 39 9.233 2.801 -1.965 1.00 0.00 C ATOM 576 CD ARG A 39 8.067 2.251 -2.772 1.00 0.00 C ATOM 577 NE ARG A 39 8.517 1.431 -3.894 1.00 0.00 N ATOM 578 CZ ARG A 39 8.932 1.934 -5.051 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.955 3.246 -5.238 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.326 1.123 -6.025 1.00 0.00 N ATOM 0 H ARG A 39 8.525 5.667 0.864 1.00 0.00 H new ATOM 0 HA ARG A 39 7.458 3.006 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.042 4.556 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.674 4.691 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.047 3.070 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.613 2.027 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.425 1.656 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.463 3.078 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 39 8.512 0.417 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.653 3.873 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.274 3.629 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.310 0.113 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.645 1.510 -6.913 1.00 0.00 H new ATOM 594 N ALA A 40 9.012 1.957 1.816 1.00 0.00 N ATOM 595 CA ALA A 40 9.959 1.192 2.619 1.00 0.00 C ATOM 596 C ALA A 40 11.113 0.677 1.766 1.00 0.00 C ATOM 597 O ALA A 40 12.277 0.782 2.151 1.00 0.00 O ATOM 598 CB ALA A 40 9.252 0.035 3.309 1.00 0.00 C ATOM 0 H ALA A 40 8.042 1.655 1.907 1.00 0.00 H new ATOM 0 HA ALA A 40 10.372 1.856 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.971 -0.527 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.467 0.423 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.811 -0.621 2.559 1.00 0.00 H new ATOM 604 N SER A 41 10.782 0.120 0.605 1.00 0.00 N ATOM 605 CA SER A 41 11.791 -0.415 -0.301 1.00 0.00 C ATOM 606 C SER A 41 11.224 -0.580 -1.708 1.00 0.00 C ATOM 607 O SER A 41 10.057 -0.281 -1.958 1.00 0.00 O ATOM 608 CB SER A 41 12.306 -1.760 0.214 1.00 0.00 C ATOM 609 OG SER A 41 13.360 -1.580 1.145 1.00 0.00 O ATOM 0 H SER A 41 9.823 0.028 0.270 1.00 0.00 H new ATOM 0 HA SER A 41 12.620 0.292 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.491 -2.309 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.655 -2.364 -0.623 1.00 0.00 H new ATOM 0 HG SER A 41 13.198 -0.768 1.670 1.00 0.00 H new ATOM 615 N ASP A 42 12.061 -1.058 -2.623 1.00 0.00 N ATOM 616 CA ASP A 42 11.645 -1.264 -4.006 1.00 0.00 C ATOM 617 C ASP A 42 10.563 -2.336 -4.093 1.00 0.00 C ATOM 618 O ASP A 42 9.841 -2.424 -5.087 1.00 0.00 O ATOM 619 CB ASP A 42 12.844 -1.660 -4.868 1.00 0.00 C ATOM 620 CG ASP A 42 12.654 -1.297 -6.327 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.112 -2.133 -7.080 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.047 -0.177 -6.717 1.00 0.00 O ATOM 0 H ASP A 42 13.031 -1.310 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 42 11.233 -0.326 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.739 -1.168 -4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.010 -2.734 -4.783 1.00 0.00 H new ATOM 627 N ASP A 43 10.459 -3.151 -3.049 1.00 0.00 N ATOM 628 CA ASP A 43 9.466 -4.218 -3.008 1.00 0.00 C ATOM 629 C ASP A 43 8.635 -4.139 -1.731 1.00 0.00 C ATOM 630 O ASP A 43 8.124 -5.149 -1.247 1.00 0.00 O ATOM 631 CB ASP A 43 10.148 -5.583 -3.103 1.00 0.00 C ATOM 632 CG ASP A 43 10.394 -6.008 -4.538 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.487 -5.822 -5.375 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.494 -6.527 -4.823 1.00 0.00 O ATOM 0 H ASP A 43 11.050 -3.093 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 43 8.800 -4.093 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.098 -5.550 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.529 -6.331 -2.607 1.00 0.00 H new ATOM 639 N TRP A 44 8.507 -2.933 -1.189 1.00 0.00 N ATOM 640 CA TRP A 44 7.739 -2.722 0.034 1.00 0.00 C ATOM 641 C TRP A 44 7.245 -1.283 0.125 1.00 0.00 C ATOM 642 O TRP A 44 7.706 -0.411 -0.612 1.00 0.00 O ATOM 643 CB TRP A 44 8.590 -3.061 1.259 1.00 0.00 C ATOM 644 CG TRP A 44 8.829 -4.531 1.428 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.016 -5.191 1.286 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.855 -5.524 1.770 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.839 -6.533 1.518 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.522 -6.763 1.818 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.485 -5.486 2.041 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.865 -7.951 2.125 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.833 -6.666 2.346 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.523 -7.885 2.387 1.00 0.00 C ATOM 0 H TRP A 44 8.925 -2.087 -1.576 1.00 0.00 H new ATOM 0 HA TRP A 44 6.872 -3.382 0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.550 -2.551 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.098 -2.675 2.152 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.956 -4.726 1.029 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.570 -7.243 1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.945 -4.551 2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.395 -8.891 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.774 -6.648 2.556 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.986 -8.790 2.630 1.00 0.00 H new ATOM 663 N TRP A 45 6.307 -1.041 1.033 1.00 0.00 N ATOM 664 CA TRP A 45 5.750 0.294 1.220 1.00 0.00 C ATOM 665 C TRP A 45 5.425 0.548 2.688 1.00 0.00 C ATOM 666 O TRP A 45 5.434 -0.374 3.502 1.00 0.00 O ATOM 667 CB TRP A 45 4.492 0.468 0.369 1.00 0.00 C ATOM 668 CG TRP A 45 4.784 0.826 -1.057 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.074 -0.036 -2.076 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.816 2.142 -1.621 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.285 0.664 -3.239 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.131 2.002 -2.987 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.608 3.424 -1.106 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.244 3.096 -3.841 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.719 4.509 -1.955 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.034 4.339 -3.310 1.00 0.00 C ATOM 0 H TRP A 45 5.916 -1.752 1.652 1.00 0.00 H new ATOM 0 HA TRP A 45 6.498 1.020 0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.915 -0.456 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.868 1.245 0.811 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.129 -1.110 -1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.518 0.254 -4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.365 3.565 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.489 2.968 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.560 5.505 -1.568 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.113 5.207 -3.948 1.00 0.00 H new ATOM 687 N GLU A 46 5.139 1.803 3.018 1.00 0.00 N ATOM 688 CA GLU A 46 4.812 2.176 4.389 1.00 0.00 C ATOM 689 C GLU A 46 3.537 3.015 4.436 1.00 0.00 C ATOM 690 O GLU A 46 3.572 4.228 4.237 1.00 0.00 O ATOM 691 CB GLU A 46 5.969 2.953 5.020 1.00 0.00 C ATOM 692 CG GLU A 46 7.263 2.159 5.099 1.00 0.00 C ATOM 693 CD GLU A 46 8.124 2.565 6.279 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.648 2.455 7.428 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.276 2.992 6.053 1.00 0.00 O ATOM 0 H GLU A 46 5.127 2.578 2.355 1.00 0.00 H new ATOM 0 HA GLU A 46 4.646 1.261 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.144 3.861 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.682 3.265 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.029 1.097 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.827 2.298 4.177 1.00 0.00 H new ATOM 702 N GLY A 47 2.412 2.357 4.699 1.00 0.00 N ATOM 703 CA GLY A 47 1.142 3.057 4.766 1.00 0.00 C ATOM 704 C GLY A 47 0.269 2.564 5.903 1.00 0.00 C ATOM 705 O GLY A 47 0.771 2.182 6.960 1.00 0.00 O ATOM 0 H GLY A 47 2.357 1.352 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.325 4.125 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.611 2.931 3.823 1.00 0.00 H new ATOM 709 N ARG A 48 -1.042 2.575 5.687 1.00 0.00 N ATOM 710 CA ARG A 48 -1.988 2.128 6.703 1.00 0.00 C ATOM 711 C ARG A 48 -3.164 1.394 6.066 1.00 0.00 C ATOM 712 O ARG A 48 -3.649 1.781 5.002 1.00 0.00 O ATOM 713 CB ARG A 48 -2.497 3.321 7.515 1.00 0.00 C ATOM 714 CG ARG A 48 -3.564 2.953 8.533 1.00 0.00 C ATOM 715 CD ARG A 48 -4.177 4.191 9.169 1.00 0.00 C ATOM 716 NE ARG A 48 -3.429 4.630 10.344 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.725 5.725 11.036 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.747 6.487 10.672 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.997 6.059 12.094 1.00 0.00 N ATOM 0 H ARG A 48 -1.474 2.889 4.818 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.469 1.438 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.656 3.783 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.900 4.069 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.345 2.367 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.127 2.323 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.207 4.998 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.208 3.980 9.454 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.636 4.065 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.308 6.233 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.972 7.327 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.210 5.475 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.225 6.900 12.625 1.00 0.00 H new ATOM 733 N HIS A 49 -3.618 0.332 6.723 1.00 0.00 N ATOM 734 CA HIS A 49 -4.737 -0.458 6.222 1.00 0.00 C ATOM 735 C HIS A 49 -5.749 -0.733 7.331 1.00 0.00 C ATOM 736 O HIS A 49 -5.425 -1.363 8.336 1.00 0.00 O ATOM 737 CB HIS A 49 -4.236 -1.777 5.634 1.00 0.00 C ATOM 738 CG HIS A 49 -5.318 -2.793 5.434 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.332 -4.013 6.077 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.427 -2.765 4.659 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.402 -4.692 5.704 1.00 0.00 C ATOM 742 NE2 HIS A 49 -7.084 -3.956 4.844 1.00 0.00 N ATOM 0 H HIS A 49 -3.228 -0.002 7.604 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.231 0.116 5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.754 -1.579 4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.475 -2.194 6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.738 -1.956 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.673 -5.681 6.044 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.957 -4.229 4.391 1.00 0.00 H new ATOM 751 N ASN A 50 -6.974 -0.254 7.140 1.00 0.00 N ATOM 752 CA ASN A 50 -8.032 -0.448 8.125 1.00 0.00 C ATOM 753 C ASN A 50 -7.562 -0.036 9.516 1.00 0.00 C ATOM 754 O ASN A 50 -7.915 -0.664 10.513 1.00 0.00 O ATOM 755 CB ASN A 50 -8.483 -1.910 8.138 1.00 0.00 C ATOM 756 CG ASN A 50 -9.796 -2.103 8.873 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.863 -1.765 8.359 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.723 -2.648 10.081 1.00 0.00 N ATOM 0 H ASN A 50 -7.258 0.271 6.313 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.876 0.183 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.588 -2.264 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.713 -2.521 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.573 -2.802 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.817 -2.913 10.467 1.00 0.00 H new ATOM 765 N GLY A 51 -6.762 1.025 9.575 1.00 0.00 N ATOM 766 CA GLY A 51 -6.257 1.503 10.849 1.00 0.00 C ATOM 767 C GLY A 51 -5.077 0.691 11.346 1.00 0.00 C ATOM 768 O GLY A 51 -4.846 0.595 12.551 1.00 0.00 O ATOM 0 H GLY A 51 -6.455 1.562 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.960 2.547 10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.056 1.468 11.589 1.00 0.00 H new ATOM 772 N ILE A 52 -4.330 0.106 10.416 1.00 0.00 N ATOM 773 CA ILE A 52 -3.169 -0.702 10.767 1.00 0.00 C ATOM 774 C ILE A 52 -1.933 -0.253 9.994 1.00 0.00 C ATOM 775 O ILE A 52 -1.883 -0.358 8.769 1.00 0.00 O ATOM 776 CB ILE A 52 -3.418 -2.197 10.491 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.770 -2.625 11.067 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.295 -3.038 11.078 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.844 -2.522 12.574 1.00 0.00 C ATOM 0 H ILE A 52 -4.508 0.176 9.414 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.999 -0.562 11.834 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.437 -2.355 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.554 -2.007 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.973 -3.654 10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.485 -4.092 10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.347 -2.746 10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.246 -2.879 12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.830 -2.841 12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.083 -3.162 13.020 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.673 -1.489 12.877 1.00 0.00 H new ATOM 791 N ASP A 53 -0.938 0.245 10.719 1.00 0.00 N ATOM 792 CA ASP A 53 0.300 0.707 10.102 1.00 0.00 C ATOM 793 C ASP A 53 1.311 -0.430 9.994 1.00 0.00 C ATOM 794 O ASP A 53 1.603 -1.111 10.977 1.00 0.00 O ATOM 795 CB ASP A 53 0.897 1.861 10.909 1.00 0.00 C ATOM 796 CG ASP A 53 1.512 1.398 12.214 1.00 0.00 C ATOM 797 OD1 ASP A 53 0.763 0.897 13.078 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.743 1.537 12.373 1.00 0.00 O ATOM 0 H ASP A 53 -0.964 0.339 11.734 1.00 0.00 H new ATOM 0 HA ASP A 53 0.067 1.058 9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.657 2.364 10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.119 2.595 11.118 1.00 0.00 H new ATOM 803 N GLY A 54 1.842 -0.631 8.792 1.00 0.00 N ATOM 804 CA GLY A 54 2.813 -1.688 8.577 1.00 0.00 C ATOM 805 C GLY A 54 3.494 -1.584 7.227 1.00 0.00 C ATOM 806 O GLY A 54 3.817 -0.487 6.769 1.00 0.00 O ATOM 0 H GLY A 54 1.617 -0.081 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.566 -1.651 9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.316 -2.655 8.656 1.00 0.00 H new ATOM 810 N LEU A 55 3.715 -2.727 6.587 1.00 0.00 N ATOM 811 CA LEU A 55 4.364 -2.761 5.281 1.00 0.00 C ATOM 812 C LEU A 55 3.402 -3.259 4.208 1.00 0.00 C ATOM 813 O LEU A 55 2.558 -4.117 4.467 1.00 0.00 O ATOM 814 CB LEU A 55 5.603 -3.657 5.328 1.00 0.00 C ATOM 815 CG LEU A 55 6.811 -3.094 6.078 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.920 -4.132 6.159 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.313 -1.826 5.404 1.00 0.00 C ATOM 0 H LEU A 55 3.454 -3.643 6.952 1.00 0.00 H new ATOM 0 HA LEU A 55 4.668 -1.745 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.324 -4.605 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.906 -3.877 4.305 1.00 0.00 H new ATOM 0 HG LEU A 55 6.501 -2.844 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.771 -3.714 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.556 -5.013 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.229 -4.414 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.173 -1.439 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.606 -2.051 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.520 -1.078 5.399 1.00 0.00 H new ATOM 829 N ILE A 56 3.537 -2.717 3.002 1.00 0.00 N ATOM 830 CA ILE A 56 2.682 -3.109 1.889 1.00 0.00 C ATOM 831 C ILE A 56 3.510 -3.475 0.662 1.00 0.00 C ATOM 832 O ILE A 56 4.359 -2.710 0.205 1.00 0.00 O ATOM 833 CB ILE A 56 1.697 -1.987 1.513 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.719 -1.730 2.662 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.944 -2.346 0.240 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.206 -0.308 2.712 1.00 0.00 C ATOM 0 H ILE A 56 4.230 -2.005 2.771 1.00 0.00 H new ATOM 0 HA ILE A 56 2.118 -3.982 2.217 1.00 0.00 H new ATOM 0 HB ILE A 56 2.263 -1.074 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.128 -2.410 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.211 -1.964 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.252 -1.543 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.654 -2.483 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.387 -3.270 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.482 -0.199 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.044 0.377 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.315 -0.076 1.783 1.00 0.00 H new ATOM 848 N PRO A 57 3.258 -4.673 0.114 1.00 0.00 N ATOM 849 CA PRO A 57 3.968 -5.168 -1.069 1.00 0.00 C ATOM 850 C PRO A 57 3.593 -4.402 -2.333 1.00 0.00 C ATOM 851 O PRO A 57 2.427 -4.065 -2.544 1.00 0.00 O ATOM 852 CB PRO A 57 3.512 -6.626 -1.173 1.00 0.00 C ATOM 853 CG PRO A 57 2.186 -6.657 -0.496 1.00 0.00 C ATOM 854 CD PRO A 57 2.259 -5.637 0.607 1.00 0.00 C ATOM 0 HA PRO A 57 5.048 -5.050 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.433 -6.943 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.220 -7.298 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.385 -6.418 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.975 -7.649 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.293 -5.162 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.566 -6.087 1.551 1.00 0.00 H new ATOM 862 N HIS A 58 4.588 -4.129 -3.171 1.00 0.00 N ATOM 863 CA HIS A 58 4.362 -3.402 -4.416 1.00 0.00 C ATOM 864 C HIS A 58 3.934 -4.353 -5.530 1.00 0.00 C ATOM 865 O HIS A 58 3.671 -3.927 -6.654 1.00 0.00 O ATOM 866 CB HIS A 58 5.627 -2.650 -4.829 1.00 0.00 C ATOM 867 CG HIS A 58 5.451 -1.812 -6.058 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.230 -0.451 -6.015 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.465 -2.148 -7.369 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.115 0.013 -7.247 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.254 -0.997 -8.087 1.00 0.00 N ATOM 0 H HIS A 58 5.558 -4.400 -3.011 1.00 0.00 H new ATOM 0 HA HIS A 58 3.560 -2.683 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.945 -2.010 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.428 -3.369 -5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.614 -3.138 -7.775 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.938 1.043 -7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.211 -0.932 -9.104 1.00 0.00 H new ATOM 879 N GLN A 59 3.868 -5.641 -5.209 1.00 0.00 N ATOM 880 CA GLN A 59 3.474 -6.651 -6.183 1.00 0.00 C ATOM 881 C GLN A 59 1.986 -6.966 -6.070 1.00 0.00 C ATOM 882 O GLN A 59 1.370 -7.454 -7.018 1.00 0.00 O ATOM 883 CB GLN A 59 4.293 -7.928 -5.986 1.00 0.00 C ATOM 884 CG GLN A 59 5.662 -7.880 -6.646 1.00 0.00 C ATOM 885 CD GLN A 59 5.582 -7.931 -8.159 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.575 -8.356 -8.725 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.647 -7.497 -8.823 1.00 0.00 N ATOM 0 H GLN A 59 4.082 -6.009 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 59 3.668 -6.253 -7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.420 -8.108 -4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.735 -8.774 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.175 -6.967 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.263 -8.717 -6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.461 -7.153 -8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.651 -7.508 -9.843 1.00 0.00 H new ATOM 896 N TYR A 60 1.413 -6.683 -4.905 1.00 0.00 N ATOM 897 CA TYR A 60 -0.002 -6.939 -4.667 1.00 0.00 C ATOM 898 C TYR A 60 -0.773 -5.631 -4.513 1.00 0.00 C ATOM 899 O TYR A 60 -1.755 -5.560 -3.773 1.00 0.00 O ATOM 900 CB TYR A 60 -0.183 -7.800 -3.416 1.00 0.00 C ATOM 901 CG TYR A 60 0.418 -9.182 -3.540 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.794 -9.359 -3.613 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.390 -10.311 -3.584 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.348 -10.619 -3.727 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.155 -11.576 -3.697 1.00 0.00 C ATOM 906 CZ TYR A 60 1.524 -11.724 -3.769 1.00 0.00 C ATOM 907 OH TYR A 60 2.071 -12.982 -3.881 1.00 0.00 O ATOM 0 H TYR A 60 1.907 -6.276 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.398 -7.475 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.271 -7.291 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.247 -7.894 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.442 -8.496 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.463 -10.198 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.420 -10.738 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.488 -12.443 -3.729 1.00 0.00 H new ATOM 0 HH TYR A 60 1.354 -13.650 -3.896 1.00 0.00 H new ATOM 917 N ILE A 61 -0.322 -4.600 -5.219 1.00 0.00 N ATOM 918 CA ILE A 61 -0.970 -3.295 -5.164 1.00 0.00 C ATOM 919 C ILE A 61 -0.608 -2.450 -6.380 1.00 0.00 C ATOM 920 O ILE A 61 0.439 -2.647 -6.998 1.00 0.00 O ATOM 921 CB ILE A 61 -0.582 -2.528 -3.886 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.914 -2.209 -3.890 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.953 -3.335 -2.650 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.248 -0.883 -4.537 1.00 0.00 C ATOM 0 H ILE A 61 0.489 -4.643 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.045 -3.476 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.135 -1.589 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.279 -2.205 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.445 -3.004 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.672 -2.780 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.028 -3.516 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.425 -4.288 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.326 -0.723 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.914 -0.890 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.745 -0.079 -3.999 1.00 0.00 H new ATOM 936 N VAL A 62 -1.481 -1.506 -6.718 1.00 0.00 N ATOM 937 CA VAL A 62 -1.252 -0.627 -7.859 1.00 0.00 C ATOM 938 C VAL A 62 -1.188 0.833 -7.424 1.00 0.00 C ATOM 939 O VAL A 62 -2.217 1.470 -7.196 1.00 0.00 O ATOM 940 CB VAL A 62 -2.357 -0.787 -8.921 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.104 0.142 -10.098 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.447 -2.234 -9.381 1.00 0.00 C ATOM 0 H VAL A 62 -2.353 -1.330 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.295 -0.916 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.312 -0.513 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.894 0.015 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.094 1.175 -9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.142 -0.098 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.232 -2.329 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.494 -2.538 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.680 -2.873 -8.529 1.00 0.00 H new ATOM 952 N VAL A 63 0.028 1.358 -7.312 1.00 0.00 N ATOM 953 CA VAL A 63 0.227 2.745 -6.906 1.00 0.00 C ATOM 954 C VAL A 63 -0.517 3.701 -7.832 1.00 0.00 C ATOM 955 O VAL A 63 -0.026 4.047 -8.906 1.00 0.00 O ATOM 956 CB VAL A 63 1.722 3.117 -6.896 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.903 4.587 -6.550 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.483 2.233 -5.920 1.00 0.00 C ATOM 0 H VAL A 63 0.890 0.845 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.171 2.840 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 63 2.128 2.951 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.965 4.832 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.391 5.201 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.483 4.783 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.537 2.509 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.078 2.366 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.380 1.190 -6.218 1.00 0.00 H new ATOM 968 N GLN A 64 -1.703 4.124 -7.407 1.00 0.00 N ATOM 969 CA GLN A 64 -2.515 5.041 -8.199 1.00 0.00 C ATOM 970 C GLN A 64 -2.334 6.478 -7.723 1.00 0.00 C ATOM 971 O GLN A 64 -2.861 6.868 -6.680 1.00 0.00 O ATOM 972 CB GLN A 64 -3.991 4.647 -8.119 1.00 0.00 C ATOM 973 CG GLN A 64 -4.243 3.175 -8.402 1.00 0.00 C ATOM 974 CD GLN A 64 -5.638 2.914 -8.936 1.00 0.00 C ATOM 975 OE1 GLN A 64 -6.396 3.846 -9.206 1.00 0.00 O ATOM 976 NE2 GLN A 64 -5.985 1.641 -9.090 1.00 0.00 N ATOM 0 H GLN A 64 -2.123 3.847 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.184 4.977 -9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.370 4.888 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.558 5.248 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.509 2.817 -9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.096 2.602 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.325 0.900 -8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.912 1.404 -9.445 1.00 0.00 H new ATOM 985 N ASP A 65 -1.586 7.261 -8.492 1.00 0.00 N ATOM 986 CA ASP A 65 -1.335 8.656 -8.149 1.00 0.00 C ATOM 987 C ASP A 65 -2.335 9.574 -8.845 1.00 0.00 C ATOM 988 O ASP A 65 -1.967 10.620 -9.382 1.00 0.00 O ATOM 989 CB ASP A 65 0.091 9.050 -8.534 1.00 0.00 C ATOM 990 CG ASP A 65 0.637 10.169 -7.668 1.00 0.00 C ATOM 991 OD1 ASP A 65 0.357 11.347 -7.974 1.00 0.00 O ATOM 992 OD2 ASP A 65 1.343 9.866 -6.684 1.00 0.00 O ATOM 0 H ASP A 65 -1.143 6.953 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.455 8.767 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.741 8.179 -8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.109 9.361 -9.579 1.00 0.00 H new ATOM 997 N THR A 66 -3.604 9.177 -8.832 1.00 0.00 N ATOM 998 CA THR A 66 -4.657 9.963 -9.463 1.00 0.00 C ATOM 999 C THR A 66 -5.604 10.550 -8.422 1.00 0.00 C ATOM 1000 O THR A 66 -6.265 9.817 -7.688 1.00 0.00 O ATOM 1001 CB THR A 66 -5.470 9.114 -10.459 1.00 0.00 C ATOM 1002 OG1 THR A 66 -4.599 8.545 -11.443 1.00 0.00 O ATOM 1003 CG2 THR A 66 -6.536 9.957 -11.144 1.00 0.00 C ATOM 0 H THR A 66 -3.927 8.316 -8.391 1.00 0.00 H new ATOM 0 HA THR A 66 -4.167 10.774 -10.002 1.00 0.00 H new ATOM 0 HB THR A 66 -5.962 8.315 -9.905 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.123 8.006 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.097 9.336 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.215 10.365 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.061 10.775 -11.686 1.00 0.00 H new ATOM 1011 N SER A 67 -5.664 11.877 -8.366 1.00 0.00 N ATOM 1012 CA SER A 67 -6.528 12.563 -7.412 1.00 0.00 C ATOM 1013 C SER A 67 -7.908 12.813 -8.013 1.00 0.00 C ATOM 1014 O SER A 67 -8.142 12.549 -9.191 1.00 0.00 O ATOM 1015 CB SER A 67 -5.897 13.889 -6.983 1.00 0.00 C ATOM 1016 OG SER A 67 -6.305 14.247 -5.674 1.00 0.00 O ATOM 0 H SER A 67 -5.125 12.498 -8.970 1.00 0.00 H new ATOM 0 HA SER A 67 -6.643 11.924 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.811 13.807 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.181 14.674 -7.684 1.00 0.00 H new ATOM 0 HG SER A 67 -5.887 15.097 -5.422 1.00 0.00 H new ATOM 1022 N GLY A 68 -8.819 13.326 -7.191 1.00 0.00 N ATOM 1023 CA GLY A 68 -10.165 13.604 -7.658 1.00 0.00 C ATOM 1024 C GLY A 68 -10.193 14.640 -8.764 1.00 0.00 C ATOM 1025 O GLY A 68 -9.220 15.359 -8.995 1.00 0.00 O ATOM 0 H GLY A 68 -8.649 13.554 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.619 12.681 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.771 13.953 -6.822 1.00 0.00 H new ATOM 1029 N PRO A 69 -11.329 14.725 -9.472 1.00 0.00 N ATOM 1030 CA PRO A 69 -11.507 15.676 -10.573 1.00 0.00 C ATOM 1031 C PRO A 69 -11.587 17.119 -10.085 1.00 0.00 C ATOM 1032 O PRO A 69 -12.598 17.538 -9.522 1.00 0.00 O ATOM 1033 CB PRO A 69 -12.836 15.249 -11.200 1.00 0.00 C ATOM 1034 CG PRO A 69 -13.574 14.571 -10.098 1.00 0.00 C ATOM 1035 CD PRO A 69 -12.528 13.900 -9.251 1.00 0.00 C ATOM 0 HA PRO A 69 -10.667 15.657 -11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.390 16.109 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.678 14.576 -12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.148 15.289 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.283 13.843 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.814 13.881 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.366 12.866 -9.556 1.00 0.00 H new ATOM 1043 N SER A 70 -10.516 17.874 -10.306 1.00 0.00 N ATOM 1044 CA SER A 70 -10.464 19.269 -9.886 1.00 0.00 C ATOM 1045 C SER A 70 -10.436 20.200 -11.095 1.00 0.00 C ATOM 1046 O SER A 70 -9.536 20.122 -11.931 1.00 0.00 O ATOM 1047 CB SER A 70 -9.234 19.515 -9.010 1.00 0.00 C ATOM 1048 OG SER A 70 -9.466 19.097 -7.676 1.00 0.00 O ATOM 0 H SER A 70 -9.672 17.543 -10.774 1.00 0.00 H new ATOM 0 HA SER A 70 -11.362 19.482 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.379 18.977 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.980 20.575 -9.023 1.00 0.00 H new ATOM 0 HG SER A 70 -8.665 19.263 -7.137 1.00 0.00 H new ATOM 1054 N SER A 71 -11.428 21.081 -11.179 1.00 0.00 N ATOM 1055 CA SER A 71 -11.520 22.024 -12.287 1.00 0.00 C ATOM 1056 C SER A 71 -10.259 22.878 -12.379 1.00 0.00 C ATOM 1057 O SER A 71 -10.021 23.746 -11.541 1.00 0.00 O ATOM 1058 CB SER A 71 -12.747 22.923 -12.118 1.00 0.00 C ATOM 1059 OG SER A 71 -12.672 23.668 -10.914 1.00 0.00 O ATOM 0 H SER A 71 -12.179 21.161 -10.493 1.00 0.00 H new ATOM 0 HA SER A 71 -11.620 21.454 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.823 23.603 -12.966 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.651 22.314 -12.117 1.00 0.00 H new ATOM 0 HG SER A 71 -11.742 23.928 -10.748 1.00 0.00 H new ATOM 1065 N GLY A 72 -9.454 22.624 -13.407 1.00 0.00 N ATOM 1066 CA GLY A 72 -8.227 23.376 -13.591 1.00 0.00 C ATOM 1067 C GLY A 72 -8.480 24.783 -14.096 1.00 0.00 C ATOM 1068 O GLY A 72 -7.541 25.521 -14.394 1.00 0.00 O ATOM 0 H GLY A 72 -9.630 21.911 -14.115 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.689 23.424 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.584 22.850 -14.297 1.00 0.00 H new TER 1072 GLY A 72