USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 13 TYR OH : rot -27:sc= 0.34 USER MOD Set 1.2: A 34 THR OG1 : rot 67:sc= 1.61 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 176:sc= -0.41 (180deg=-0.495) USER MOD Set 2.2: A 33 GLN : amide:sc= 0.0161 X(o=-0.39,f=-0.5) USER MOD Single : A 1 LYS N :NH3+ -179:sc= 0.737 (180deg=0.737) USER MOD Single : A 1 LYS NZ :NH3+ -170:sc= -0.0114 (180deg=-0.122) USER MOD Single : A 2 SER OG : rot 180:sc= 0.148 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.413 (180deg=0.314) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0118 (180deg=-0.118) USER MOD Single : A 21 ASN : amide:sc= 0.581 K(o=0.58,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= 0.815 K(o=0.82,f=-3.5!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -170:sc=-0.00362 (180deg=-0.162) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0863 USER MOD Single : A 45 THR OG1 : rot 165:sc= 1.3 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -70:sc= 0.967 USER MOD Single : A 67 GLN : amide:sc= 0.222 K(o=0.22,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00827) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0784) USER MOD Single : A 74 SER OG : rot 67:sc= 0.618 USER MOD Single : A 75 GLN : amide:sc= 0.912 K(o=0.91,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.487 3.231 -1.533 1.00 0.00 N ATOM 2 CA LYS A 1 3.779 2.541 -1.685 1.00 0.00 C ATOM 3 C LYS A 1 3.616 1.275 -2.525 1.00 0.00 C ATOM 4 O LYS A 1 4.126 1.199 -3.641 1.00 0.00 O ATOM 5 CB LYS A 1 4.413 2.255 -0.313 1.00 0.00 C ATOM 6 CG LYS A 1 5.696 1.407 -0.361 1.00 0.00 C ATOM 7 CD LYS A 1 6.792 2.030 -1.240 1.00 0.00 C ATOM 8 CE LYS A 1 8.052 1.156 -1.278 1.00 0.00 C ATOM 9 NZ LYS A 1 8.684 1.026 0.047 1.00 0.00 N ATOM 0 H1 LYS A 1 2.620 4.098 -0.974 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.113 3.478 -2.471 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.814 2.605 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 1 4.466 3.197 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.639 3.204 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.680 1.745 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.079 1.278 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.455 0.414 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.413 2.166 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.046 3.019 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.793 0.166 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.768 1.585 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.615 0.574 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.802 1.969 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.082 0.443 0.663 1.00 0.00 H new ATOM 25 N SER A 2 2.909 0.275 -1.994 1.00 0.00 N ATOM 26 CA SER A 2 2.779 -1.032 -2.611 1.00 0.00 C ATOM 27 C SER A 2 2.304 -0.956 -4.069 1.00 0.00 C ATOM 28 O SER A 2 2.961 -1.537 -4.927 1.00 0.00 O ATOM 29 CB SER A 2 1.913 -1.943 -1.730 1.00 0.00 C ATOM 30 OG SER A 2 1.816 -1.389 -0.426 1.00 0.00 O ATOM 0 H SER A 2 2.406 0.359 -1.110 1.00 0.00 H new ATOM 0 HA SER A 2 3.770 -1.483 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.920 -2.050 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.349 -2.941 -1.681 1.00 0.00 H new ATOM 0 HG SER A 2 1.262 -1.970 0.136 1.00 0.00 H new ATOM 36 N PRO A 3 1.207 -0.244 -4.387 1.00 0.00 N ATOM 37 CA PRO A 3 0.749 -0.104 -5.763 1.00 0.00 C ATOM 38 C PRO A 3 1.864 0.390 -6.689 1.00 0.00 C ATOM 39 O PRO A 3 2.068 -0.161 -7.768 1.00 0.00 O ATOM 40 CB PRO A 3 -0.430 0.874 -5.714 1.00 0.00 C ATOM 41 CG PRO A 3 -0.957 0.710 -4.290 1.00 0.00 C ATOM 42 CD PRO A 3 0.324 0.485 -3.489 1.00 0.00 C ATOM 0 HA PRO A 3 0.445 -1.066 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.113 1.898 -5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.190 0.627 -6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.497 1.595 -3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.642 -0.133 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.768 1.432 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.127 -0.085 -2.581 1.00 0.00 H new ATOM 50 N GLU A 4 2.597 1.420 -6.259 1.00 0.00 N ATOM 51 CA GLU A 4 3.666 2.026 -7.036 1.00 0.00 C ATOM 52 C GLU A 4 4.830 1.046 -7.190 1.00 0.00 C ATOM 53 O GLU A 4 5.391 0.910 -8.274 1.00 0.00 O ATOM 54 CB GLU A 4 4.129 3.335 -6.377 1.00 0.00 C ATOM 55 CG GLU A 4 3.049 4.433 -6.351 1.00 0.00 C ATOM 56 CD GLU A 4 1.879 4.155 -5.407 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.102 3.455 -4.394 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.771 4.639 -5.722 1.00 0.00 O ATOM 0 H GLU A 4 2.458 1.858 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 4 3.289 2.263 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.445 3.125 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.003 3.710 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.515 5.375 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.660 4.565 -7.361 1.00 0.00 H new ATOM 65 N GLU A 5 5.190 0.355 -6.107 1.00 0.00 N ATOM 66 CA GLU A 5 6.215 -0.677 -6.145 1.00 0.00 C ATOM 67 C GLU A 5 5.833 -1.727 -7.193 1.00 0.00 C ATOM 68 O GLU A 5 6.619 -2.037 -8.087 1.00 0.00 O ATOM 69 CB GLU A 5 6.373 -1.282 -4.743 1.00 0.00 C ATOM 70 CG GLU A 5 7.558 -2.251 -4.662 1.00 0.00 C ATOM 71 CD GLU A 5 7.681 -2.833 -3.259 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.937 -3.798 -2.979 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.498 -2.286 -2.486 1.00 0.00 O ATOM 0 H GLU A 5 4.778 0.498 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 5 7.179 -0.258 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.510 -0.481 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.457 -1.806 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.426 -3.056 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.478 -1.731 -4.928 1.00 0.00 H new ATOM 80 N LEU A 6 4.608 -2.249 -7.097 1.00 0.00 N ATOM 81 CA LEU A 6 4.108 -3.251 -8.022 1.00 0.00 C ATOM 82 C LEU A 6 4.063 -2.691 -9.443 1.00 0.00 C ATOM 83 O LEU A 6 4.375 -3.420 -10.381 1.00 0.00 O ATOM 84 CB LEU A 6 2.754 -3.814 -7.564 1.00 0.00 C ATOM 85 CG LEU A 6 2.890 -5.022 -6.617 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.696 -4.746 -5.342 1.00 0.00 C ATOM 87 CD2 LEU A 6 1.494 -5.509 -6.217 1.00 0.00 C ATOM 0 H LEU A 6 3.940 -1.984 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 6 4.800 -4.093 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.192 -3.027 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.175 -4.110 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 6 3.444 -5.777 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.740 -5.651 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.707 -4.440 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.215 -3.951 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.585 -6.364 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.960 -4.706 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.942 -5.805 -7.109 1.00 0.00 H new ATOM 99 N LYS A 7 3.717 -1.411 -9.628 1.00 0.00 N ATOM 100 CA LYS A 7 3.833 -0.753 -10.919 1.00 0.00 C ATOM 101 C LYS A 7 5.265 -0.837 -11.439 1.00 0.00 C ATOM 102 O LYS A 7 5.476 -1.280 -12.562 1.00 0.00 O ATOM 103 CB LYS A 7 3.342 0.695 -10.823 1.00 0.00 C ATOM 104 CG LYS A 7 2.972 1.248 -12.204 1.00 0.00 C ATOM 105 CD LYS A 7 2.416 2.670 -12.078 1.00 0.00 C ATOM 106 CE LYS A 7 3.482 3.725 -11.748 1.00 0.00 C ATOM 107 NZ LYS A 7 4.516 3.820 -12.795 1.00 0.00 N ATOM 0 H LYS A 7 3.352 -0.812 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 7 3.198 -1.269 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.475 0.745 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.118 1.316 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.850 1.250 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.232 0.602 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.926 2.942 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.652 2.684 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.003 4.696 -11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.953 3.478 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.156 4.612 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.060 2.934 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.063 3.981 -13.717 1.00 0.00 H new ATOM 121 N GLY A 8 6.247 -0.440 -10.629 1.00 0.00 N ATOM 122 CA GLY A 8 7.648 -0.504 -11.013 1.00 0.00 C ATOM 123 C GLY A 8 8.041 -1.920 -11.432 1.00 0.00 C ATOM 124 O GLY A 8 8.538 -2.124 -12.538 1.00 0.00 O ATOM 0 H GLY A 8 6.089 -0.067 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.834 0.187 -11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.272 -0.182 -10.179 1.00 0.00 H new ATOM 128 N ILE A 9 7.802 -2.900 -10.553 1.00 0.00 N ATOM 129 CA ILE A 9 8.042 -4.315 -10.829 1.00 0.00 C ATOM 130 C ILE A 9 7.412 -4.685 -12.180 1.00 0.00 C ATOM 131 O ILE A 9 8.101 -5.128 -13.098 1.00 0.00 O ATOM 132 CB ILE A 9 7.474 -5.159 -9.665 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.249 -4.933 -8.354 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.466 -6.658 -9.960 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.612 -5.685 -7.177 1.00 0.00 C ATOM 0 H ILE A 9 7.432 -2.727 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 9 9.110 -4.521 -10.900 1.00 0.00 H new ATOM 0 HB ILE A 9 6.445 -4.816 -9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.280 -5.263 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.280 -3.867 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.056 -7.195 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.852 -6.853 -10.839 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.485 -6.997 -10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.189 -5.499 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.589 -5.337 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.605 -6.754 -7.389 1.00 0.00 H new ATOM 147 N PHE A 10 6.094 -4.503 -12.286 1.00 0.00 N ATOM 148 CA PHE A 10 5.306 -4.796 -13.472 1.00 0.00 C ATOM 149 C PHE A 10 5.973 -4.202 -14.716 1.00 0.00 C ATOM 150 O PHE A 10 6.310 -4.934 -15.643 1.00 0.00 O ATOM 151 CB PHE A 10 3.873 -4.289 -13.246 1.00 0.00 C ATOM 152 CG PHE A 10 2.984 -4.306 -14.468 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.025 -3.222 -15.359 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.078 -5.358 -14.695 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.276 -3.257 -16.539 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.327 -5.392 -15.880 1.00 0.00 C ATOM 157 CZ PHE A 10 1.469 -4.369 -16.829 1.00 0.00 C ATOM 0 H PHE A 10 5.532 -4.135 -11.519 1.00 0.00 H new ATOM 0 HA PHE A 10 5.253 -5.870 -13.648 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.408 -4.897 -12.470 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.921 -3.269 -12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.636 -2.360 -15.133 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.961 -6.139 -13.958 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.318 -2.427 -17.229 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.640 -6.205 -16.061 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.960 -4.436 -17.779 1.00 0.00 H new ATOM 167 N GLU A 11 6.196 -2.885 -14.734 1.00 0.00 N ATOM 168 CA GLU A 11 6.831 -2.198 -15.847 1.00 0.00 C ATOM 169 C GLU A 11 8.189 -2.822 -16.188 1.00 0.00 C ATOM 170 O GLU A 11 8.485 -3.054 -17.357 1.00 0.00 O ATOM 171 CB GLU A 11 6.990 -0.705 -15.526 1.00 0.00 C ATOM 172 CG GLU A 11 5.644 0.031 -15.519 1.00 0.00 C ATOM 173 CD GLU A 11 5.797 1.475 -15.052 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.204 1.655 -13.883 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.488 2.376 -15.861 1.00 0.00 O ATOM 0 H GLU A 11 5.936 -2.266 -13.966 1.00 0.00 H new ATOM 0 HA GLU A 11 6.189 -2.306 -16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.469 -0.593 -14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.650 -0.245 -16.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.215 0.015 -16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.946 -0.492 -14.865 1.00 0.00 H new ATOM 182 N LYS A 12 9.027 -3.086 -15.181 1.00 0.00 N ATOM 183 CA LYS A 12 10.341 -3.682 -15.401 1.00 0.00 C ATOM 184 C LYS A 12 10.216 -5.045 -16.089 1.00 0.00 C ATOM 185 O LYS A 12 10.906 -5.298 -17.074 1.00 0.00 O ATOM 186 CB LYS A 12 11.113 -3.788 -14.080 1.00 0.00 C ATOM 187 CG LYS A 12 11.559 -2.407 -13.580 1.00 0.00 C ATOM 188 CD LYS A 12 11.974 -2.440 -12.103 1.00 0.00 C ATOM 189 CE LYS A 12 13.151 -3.390 -11.848 1.00 0.00 C ATOM 190 NZ LYS A 12 13.589 -3.331 -10.443 1.00 0.00 N ATOM 0 H LYS A 12 8.814 -2.894 -14.202 1.00 0.00 H new ATOM 0 HA LYS A 12 10.907 -3.031 -16.067 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.485 -4.264 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.986 -4.426 -14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.395 -2.055 -14.184 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.746 -1.693 -13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.246 -1.434 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.123 -2.749 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.859 -4.410 -12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.982 -3.127 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.386 -3.984 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.889 -2.362 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.801 -3.605 -9.822 1.00 0.00 H new ATOM 204 N TYR A 13 9.347 -5.926 -15.585 1.00 0.00 N ATOM 205 CA TYR A 13 9.095 -7.201 -16.248 1.00 0.00 C ATOM 206 C TYR A 13 8.582 -6.992 -17.671 1.00 0.00 C ATOM 207 O TYR A 13 9.181 -7.484 -18.624 1.00 0.00 O ATOM 208 CB TYR A 13 8.154 -8.068 -15.415 1.00 0.00 C ATOM 209 CG TYR A 13 8.889 -8.793 -14.311 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.612 -9.961 -14.609 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.832 -8.330 -12.986 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.265 -10.664 -13.584 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.520 -9.012 -11.972 1.00 0.00 C ATOM 214 CZ TYR A 13 10.218 -10.193 -12.262 1.00 0.00 C ATOM 215 OH TYR A 13 10.746 -10.926 -11.242 1.00 0.00 O ATOM 0 H TYR A 13 8.813 -5.779 -14.729 1.00 0.00 H new ATOM 0 HA TYR A 13 10.040 -7.738 -16.331 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.372 -7.444 -14.982 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.661 -8.794 -16.061 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.665 -10.318 -15.627 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.257 -7.447 -12.748 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.806 -11.570 -13.813 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.512 -8.626 -10.963 1.00 0.00 H new ATOM 0 HH TYR A 13 10.724 -11.877 -11.477 1.00 0.00 H new ATOM 225 N ALA A 14 7.481 -6.257 -17.811 1.00 0.00 N ATOM 226 CA ALA A 14 6.881 -5.895 -19.083 1.00 0.00 C ATOM 227 C ALA A 14 7.943 -5.489 -20.104 1.00 0.00 C ATOM 228 O ALA A 14 8.019 -6.071 -21.182 1.00 0.00 O ATOM 229 CB ALA A 14 5.877 -4.767 -18.862 1.00 0.00 C ATOM 0 H ALA A 14 6.968 -5.887 -17.011 1.00 0.00 H new ATOM 0 HA ALA A 14 6.363 -6.764 -19.489 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.424 -4.492 -19.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.101 -5.101 -18.174 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.389 -3.902 -18.440 1.00 0.00 H new ATOM 235 N ALA A 15 8.796 -4.529 -19.739 1.00 0.00 N ATOM 236 CA ALA A 15 9.866 -4.009 -20.583 1.00 0.00 C ATOM 237 C ALA A 15 10.761 -5.093 -21.197 1.00 0.00 C ATOM 238 O ALA A 15 11.302 -4.880 -22.280 1.00 0.00 O ATOM 239 CB ALA A 15 10.700 -2.999 -19.793 1.00 0.00 C ATOM 0 H ALA A 15 8.758 -4.082 -18.823 1.00 0.00 H new ATOM 0 HA ALA A 15 9.385 -3.518 -21.429 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.499 -2.612 -20.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.063 -2.176 -19.469 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.133 -3.488 -18.921 1.00 0.00 H new ATOM 245 N LYS A 16 10.921 -6.259 -20.558 1.00 0.00 N ATOM 246 CA LYS A 16 11.676 -7.361 -21.156 1.00 0.00 C ATOM 247 C LYS A 16 11.056 -7.785 -22.495 1.00 0.00 C ATOM 248 O LYS A 16 11.764 -8.190 -23.414 1.00 0.00 O ATOM 249 CB LYS A 16 11.762 -8.551 -20.189 1.00 0.00 C ATOM 250 CG LYS A 16 12.306 -8.200 -18.794 1.00 0.00 C ATOM 251 CD LYS A 16 13.750 -7.680 -18.822 1.00 0.00 C ATOM 252 CE LYS A 16 14.226 -7.284 -17.418 1.00 0.00 C ATOM 253 NZ LYS A 16 14.244 -8.432 -16.493 1.00 0.00 N ATOM 0 H LYS A 16 10.540 -6.460 -19.634 1.00 0.00 H new ATOM 0 HA LYS A 16 12.690 -7.011 -21.351 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.769 -8.986 -20.079 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.399 -9.317 -20.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.664 -7.446 -18.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.257 -9.084 -18.159 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.408 -8.448 -19.228 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.816 -6.819 -19.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.226 -6.855 -17.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.572 -6.508 -17.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.727 -8.161 -15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.268 -8.720 -16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.749 -9.226 -16.935 1.00 0.00 H new ATOM 267 N GLU A 17 9.735 -7.644 -22.618 1.00 0.00 N ATOM 268 CA GLU A 17 8.956 -7.880 -23.825 1.00 0.00 C ATOM 269 C GLU A 17 8.978 -6.656 -24.756 1.00 0.00 C ATOM 270 O GLU A 17 8.150 -6.557 -25.663 1.00 0.00 O ATOM 271 CB GLU A 17 7.517 -8.186 -23.380 1.00 0.00 C ATOM 272 CG GLU A 17 6.706 -9.010 -24.387 1.00 0.00 C ATOM 273 CD GLU A 17 5.244 -9.094 -23.965 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.002 -9.144 -22.739 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.387 -9.125 -24.873 1.00 0.00 O ATOM 0 H GLU A 17 9.154 -7.346 -21.835 1.00 0.00 H new ATOM 0 HA GLU A 17 9.380 -8.712 -24.388 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.549 -8.722 -22.432 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.998 -7.245 -23.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.778 -8.557 -25.376 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.125 -10.013 -24.464 1.00 0.00 H new ATOM 282 N GLY A 18 9.854 -5.674 -24.529 1.00 0.00 N ATOM 283 CA GLY A 18 9.853 -4.426 -25.277 1.00 0.00 C ATOM 284 C GLY A 18 8.736 -3.507 -24.782 1.00 0.00 C ATOM 285 O GLY A 18 9.006 -2.396 -24.332 1.00 0.00 O ATOM 0 H GLY A 18 10.584 -5.728 -23.818 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.817 -3.929 -25.168 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.719 -4.632 -26.339 1.00 0.00 H new ATOM 289 N ASP A 19 7.481 -3.966 -24.863 1.00 0.00 N ATOM 290 CA ASP A 19 6.317 -3.243 -24.361 1.00 0.00 C ATOM 291 C ASP A 19 6.555 -2.836 -22.901 1.00 0.00 C ATOM 292 O ASP A 19 6.596 -3.707 -22.040 1.00 0.00 O ATOM 293 CB ASP A 19 5.067 -4.132 -24.474 1.00 0.00 C ATOM 294 CG ASP A 19 3.777 -3.406 -24.084 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.809 -2.625 -23.105 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.766 -3.641 -24.779 1.00 0.00 O ATOM 0 H ASP A 19 7.247 -4.864 -25.286 1.00 0.00 H new ATOM 0 HA ASP A 19 6.161 -2.343 -24.956 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.978 -4.494 -25.498 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.192 -5.007 -23.836 1.00 0.00 H new ATOM 301 N PRO A 20 6.662 -1.540 -22.574 1.00 0.00 N ATOM 302 CA PRO A 20 7.036 -1.110 -21.235 1.00 0.00 C ATOM 303 C PRO A 20 5.899 -1.245 -20.214 1.00 0.00 C ATOM 304 O PRO A 20 6.079 -0.831 -19.071 1.00 0.00 O ATOM 305 CB PRO A 20 7.466 0.351 -21.406 1.00 0.00 C ATOM 306 CG PRO A 20 6.587 0.833 -22.559 1.00 0.00 C ATOM 307 CD PRO A 20 6.518 -0.398 -23.463 1.00 0.00 C ATOM 0 HA PRO A 20 7.829 -1.739 -20.831 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.296 0.931 -20.499 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.526 0.435 -21.644 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.599 1.139 -22.215 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.025 1.689 -23.072 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.571 -0.437 -24.002 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.310 -0.381 -24.211 1.00 0.00 H new ATOM 315 N ASN A 21 4.724 -1.770 -20.595 1.00 0.00 N ATOM 316 CA ASN A 21 3.563 -1.762 -19.710 1.00 0.00 C ATOM 317 C ASN A 21 2.561 -2.891 -19.968 1.00 0.00 C ATOM 318 O ASN A 21 1.381 -2.735 -19.657 1.00 0.00 O ATOM 319 CB ASN A 21 2.886 -0.379 -19.731 1.00 0.00 C ATOM 320 CG ASN A 21 1.875 -0.161 -20.862 1.00 0.00 C ATOM 321 OD1 ASN A 21 0.848 0.474 -20.650 1.00 0.00 O ATOM 322 ND2 ASN A 21 2.131 -0.654 -22.072 1.00 0.00 N ATOM 0 H ASN A 21 4.559 -2.201 -21.505 1.00 0.00 H new ATOM 0 HA ASN A 21 3.943 -1.960 -18.708 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.379 -0.227 -18.778 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.660 0.385 -19.806 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.469 -0.505 -22.834 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.989 -1.181 -22.237 1.00 0.00 H new ATOM 329 N GLN A 22 3.010 -4.040 -20.486 1.00 0.00 N ATOM 330 CA GLN A 22 2.144 -5.197 -20.651 1.00 0.00 C ATOM 331 C GLN A 22 2.936 -6.496 -20.476 1.00 0.00 C ATOM 332 O GLN A 22 4.059 -6.586 -20.965 1.00 0.00 O ATOM 333 CB GLN A 22 1.416 -5.100 -22.002 1.00 0.00 C ATOM 334 CG GLN A 22 -0.039 -5.535 -21.827 1.00 0.00 C ATOM 335 CD GLN A 22 -0.941 -5.127 -22.983 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.004 -4.555 -22.769 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.543 -5.387 -24.219 1.00 0.00 N ATOM 0 H GLN A 22 3.971 -4.186 -20.796 1.00 0.00 H new ATOM 0 HA GLN A 22 1.380 -5.209 -19.873 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.459 -4.078 -22.378 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.910 -5.732 -22.740 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.074 -6.619 -21.715 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.429 -5.106 -20.904 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.344 -5.864 -24.379 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.124 -5.110 -25.011 1.00 0.00 H new ATOM 346 N LEU A 23 2.371 -7.470 -19.747 1.00 0.00 N ATOM 347 CA LEU A 23 3.038 -8.723 -19.401 1.00 0.00 C ATOM 348 C LEU A 23 2.457 -9.889 -20.207 1.00 0.00 C ATOM 349 O LEU A 23 1.336 -10.321 -19.934 1.00 0.00 O ATOM 350 CB LEU A 23 2.851 -9.056 -17.907 1.00 0.00 C ATOM 351 CG LEU A 23 3.285 -7.996 -16.891 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.818 -8.440 -15.507 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.789 -7.808 -16.758 1.00 0.00 C ATOM 0 H LEU A 23 1.422 -7.403 -19.378 1.00 0.00 H new ATOM 0 HA LEU A 23 4.096 -8.591 -19.629 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.796 -9.272 -17.739 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.402 -9.972 -17.694 1.00 0.00 H new ATOM 0 HG LEU A 23 2.852 -7.062 -17.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.117 -7.698 -14.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.732 -8.539 -15.504 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.270 -9.401 -15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.995 -7.037 -16.015 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.247 -8.746 -16.444 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.204 -7.506 -17.719 1.00 0.00 H new ATOM 365 N SER A 24 3.193 -10.445 -21.172 1.00 0.00 N ATOM 366 CA SER A 24 2.794 -11.712 -21.778 1.00 0.00 C ATOM 367 C SER A 24 2.857 -12.815 -20.721 1.00 0.00 C ATOM 368 O SER A 24 3.503 -12.640 -19.690 1.00 0.00 O ATOM 369 CB SER A 24 3.665 -12.036 -22.999 1.00 0.00 C ATOM 370 OG SER A 24 3.311 -13.289 -23.552 1.00 0.00 O ATOM 0 H SER A 24 4.054 -10.044 -21.544 1.00 0.00 H new ATOM 0 HA SER A 24 1.768 -11.637 -22.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.549 -11.256 -23.751 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.716 -12.045 -22.709 1.00 0.00 H new ATOM 0 HG SER A 24 3.877 -13.475 -24.330 1.00 0.00 H new ATOM 376 N LYS A 25 2.217 -13.958 -20.987 1.00 0.00 N ATOM 377 CA LYS A 25 2.246 -15.165 -20.165 1.00 0.00 C ATOM 378 C LYS A 25 3.630 -15.422 -19.571 1.00 0.00 C ATOM 379 O LYS A 25 3.742 -15.768 -18.400 1.00 0.00 O ATOM 380 CB LYS A 25 1.814 -16.385 -20.992 1.00 0.00 C ATOM 381 CG LYS A 25 0.378 -16.272 -21.517 1.00 0.00 C ATOM 382 CD LYS A 25 -0.136 -17.563 -22.168 1.00 0.00 C ATOM 383 CE LYS A 25 -0.437 -18.657 -21.132 1.00 0.00 C ATOM 384 NZ LYS A 25 -1.104 -19.815 -21.755 1.00 0.00 N ATOM 0 H LYS A 25 1.639 -14.069 -21.820 1.00 0.00 H new ATOM 0 HA LYS A 25 1.548 -15.008 -19.343 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.495 -16.506 -21.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.902 -17.282 -20.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.282 -16.002 -20.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.328 -15.462 -22.245 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.040 -17.346 -22.737 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.606 -17.931 -22.877 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.491 -18.980 -20.660 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.071 -18.250 -20.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.294 -20.537 -21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.001 -19.510 -22.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.488 -20.216 -22.490 1.00 0.00 H new ATOM 398 N GLU A 26 4.686 -15.245 -20.366 1.00 0.00 N ATOM 399 CA GLU A 26 6.045 -15.448 -19.895 1.00 0.00 C ATOM 400 C GLU A 26 6.427 -14.427 -18.819 1.00 0.00 C ATOM 401 O GLU A 26 6.977 -14.802 -17.782 1.00 0.00 O ATOM 402 CB GLU A 26 7.017 -15.400 -21.078 1.00 0.00 C ATOM 403 CG GLU A 26 6.696 -16.504 -22.093 1.00 0.00 C ATOM 404 CD GLU A 26 7.687 -16.488 -23.252 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.478 -15.656 -24.160 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.635 -17.300 -23.201 1.00 0.00 O ATOM 0 H GLU A 26 4.619 -14.960 -21.343 1.00 0.00 H new ATOM 0 HA GLU A 26 6.106 -16.433 -19.432 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.958 -14.426 -21.563 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.040 -15.516 -20.719 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.724 -17.476 -21.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.684 -16.369 -22.474 1.00 0.00 H new ATOM 413 N GLU A 27 6.128 -13.142 -19.026 1.00 0.00 N ATOM 414 CA GLU A 27 6.384 -12.163 -17.980 1.00 0.00 C ATOM 415 C GLU A 27 5.527 -12.517 -16.768 1.00 0.00 C ATOM 416 O GLU A 27 6.029 -12.555 -15.648 1.00 0.00 O ATOM 417 CB GLU A 27 6.079 -10.734 -18.445 1.00 0.00 C ATOM 418 CG GLU A 27 7.219 -10.068 -19.225 1.00 0.00 C ATOM 419 CD GLU A 27 7.492 -10.754 -20.561 1.00 0.00 C ATOM 420 OE1 GLU A 27 6.504 -11.193 -21.191 1.00 0.00 O ATOM 421 OE2 GLU A 27 8.684 -10.833 -20.927 1.00 0.00 O ATOM 0 H GLU A 27 5.721 -12.768 -19.883 1.00 0.00 H new ATOM 0 HA GLU A 27 7.443 -12.194 -17.723 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.187 -10.751 -19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.845 -10.123 -17.573 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.971 -9.021 -19.402 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.126 -10.083 -18.620 1.00 0.00 H new ATOM 428 N LEU A 28 4.236 -12.773 -16.998 1.00 0.00 N ATOM 429 CA LEU A 28 3.262 -13.014 -15.950 1.00 0.00 C ATOM 430 C LEU A 28 3.701 -14.189 -15.075 1.00 0.00 C ATOM 431 O LEU A 28 3.717 -14.082 -13.850 1.00 0.00 O ATOM 432 CB LEU A 28 1.868 -13.175 -16.579 1.00 0.00 C ATOM 433 CG LEU A 28 0.658 -13.106 -15.628 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.395 -14.425 -14.895 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.740 -11.937 -14.643 1.00 0.00 C ATOM 0 H LEU A 28 3.840 -12.818 -17.937 1.00 0.00 H new ATOM 0 HA LEU A 28 3.199 -12.161 -15.275 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.747 -12.401 -17.337 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.838 -14.134 -17.095 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.199 -12.923 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.469 -14.312 -14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.199 -15.213 -15.622 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.268 -14.691 -14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.140 -11.941 -14.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.637 -12.038 -14.032 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.782 -10.998 -15.195 1.00 0.00 H new ATOM 447 N LYS A 29 4.106 -15.304 -15.683 1.00 0.00 N ATOM 448 CA LYS A 29 4.614 -16.416 -14.901 1.00 0.00 C ATOM 449 C LYS A 29 5.876 -15.985 -14.161 1.00 0.00 C ATOM 450 O LYS A 29 6.027 -16.270 -12.972 1.00 0.00 O ATOM 451 CB LYS A 29 4.803 -17.680 -15.767 1.00 0.00 C ATOM 452 CG LYS A 29 6.106 -17.771 -16.573 1.00 0.00 C ATOM 453 CD LYS A 29 6.193 -19.032 -17.447 1.00 0.00 C ATOM 454 CE LYS A 29 6.890 -20.215 -16.759 1.00 0.00 C ATOM 455 NZ LYS A 29 6.194 -20.657 -15.541 1.00 0.00 N ATOM 0 H LYS A 29 4.091 -15.454 -16.692 1.00 0.00 H new ATOM 0 HA LYS A 29 3.879 -16.698 -14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.744 -18.552 -15.115 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.966 -17.745 -16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.194 -16.890 -17.209 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.952 -17.754 -15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.186 -19.333 -17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.729 -18.790 -18.365 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.955 -21.049 -17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.912 -19.931 -16.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.669 -21.499 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.214 -19.895 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.207 -20.891 -15.771 1.00 0.00 H new ATOM 469 N LEU A 30 6.807 -15.324 -14.853 1.00 0.00 N ATOM 470 CA LEU A 30 8.094 -14.996 -14.269 1.00 0.00 C ATOM 471 C LEU A 30 7.916 -14.127 -13.022 1.00 0.00 C ATOM 472 O LEU A 30 8.430 -14.476 -11.958 1.00 0.00 O ATOM 473 CB LEU A 30 9.012 -14.360 -15.322 1.00 0.00 C ATOM 474 CG LEU A 30 10.473 -14.239 -14.862 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.145 -15.607 -14.671 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.262 -13.452 -15.915 1.00 0.00 C ATOM 0 H LEU A 30 6.687 -15.009 -15.816 1.00 0.00 H new ATOM 0 HA LEU A 30 8.585 -15.911 -13.938 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.974 -14.955 -16.234 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.634 -13.369 -15.572 1.00 0.00 H new ATOM 0 HG LEU A 30 10.472 -13.729 -13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.175 -15.464 -14.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.602 -16.177 -13.917 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.135 -16.152 -15.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.301 -13.360 -15.598 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.219 -13.977 -16.869 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.828 -12.458 -16.027 1.00 0.00 H new ATOM 488 N LEU A 31 7.184 -13.012 -13.118 1.00 0.00 N ATOM 489 CA LEU A 31 7.084 -12.112 -11.978 1.00 0.00 C ATOM 490 C LEU A 31 6.236 -12.708 -10.864 1.00 0.00 C ATOM 491 O LEU A 31 6.557 -12.494 -9.700 1.00 0.00 O ATOM 492 CB LEU A 31 6.734 -10.663 -12.349 1.00 0.00 C ATOM 493 CG LEU A 31 5.269 -10.229 -12.398 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.172 -8.728 -12.682 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.560 -10.954 -13.523 1.00 0.00 C ATOM 0 H LEU A 31 6.669 -12.722 -13.949 1.00 0.00 H new ATOM 0 HA LEU A 31 8.089 -12.019 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.243 -10.012 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.166 -10.464 -13.330 1.00 0.00 H new ATOM 0 HG LEU A 31 4.811 -10.463 -11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.124 -8.431 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.682 -8.175 -11.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.641 -8.508 -13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.516 -10.643 -13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.040 -10.713 -14.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.613 -12.029 -13.353 1.00 0.00 H new ATOM 507 N LEU A 32 5.193 -13.486 -11.175 1.00 0.00 N ATOM 508 CA LEU A 32 4.439 -14.118 -10.102 1.00 0.00 C ATOM 509 C LEU A 32 5.299 -15.157 -9.396 1.00 0.00 C ATOM 510 O LEU A 32 5.323 -15.175 -8.172 1.00 0.00 O ATOM 511 CB LEU A 32 3.070 -14.632 -10.566 1.00 0.00 C ATOM 512 CG LEU A 32 1.998 -13.535 -10.460 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.437 -12.231 -11.121 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.728 -14.010 -11.154 1.00 0.00 C ATOM 0 H LEU A 32 4.866 -13.684 -12.121 1.00 0.00 H new ATOM 0 HA LEU A 32 4.192 -13.362 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.139 -14.978 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.777 -15.490 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 32 1.831 -13.346 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.646 -11.488 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.343 -11.865 -10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.636 -12.408 -12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.037 -13.237 -11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.941 -14.214 -12.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.369 -14.920 -10.673 1.00 0.00 H new ATOM 526 N GLN A 33 6.069 -15.966 -10.122 1.00 0.00 N ATOM 527 CA GLN A 33 7.007 -16.865 -9.463 1.00 0.00 C ATOM 528 C GLN A 33 8.012 -16.088 -8.604 1.00 0.00 C ATOM 529 O GLN A 33 8.234 -16.454 -7.453 1.00 0.00 O ATOM 530 CB GLN A 33 7.725 -17.728 -10.500 1.00 0.00 C ATOM 531 CG GLN A 33 6.776 -18.768 -11.114 1.00 0.00 C ATOM 532 CD GLN A 33 7.364 -19.375 -12.379 1.00 0.00 C ATOM 533 OE1 GLN A 33 7.591 -20.577 -12.473 1.00 0.00 O ATOM 534 NE2 GLN A 33 7.610 -18.532 -13.375 1.00 0.00 N ATOM 0 H GLN A 33 6.062 -16.016 -11.141 1.00 0.00 H new ATOM 0 HA GLN A 33 6.445 -17.518 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.130 -17.092 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.570 -18.234 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.578 -19.556 -10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.819 -18.299 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.409 -17.538 -13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.000 -18.878 -14.252 1.00 0.00 H new ATOM 543 N THR A 34 8.629 -15.035 -9.156 1.00 0.00 N ATOM 544 CA THR A 34 9.660 -14.296 -8.430 1.00 0.00 C ATOM 545 C THR A 34 9.074 -13.628 -7.178 1.00 0.00 C ATOM 546 O THR A 34 9.569 -13.815 -6.069 1.00 0.00 O ATOM 547 CB THR A 34 10.340 -13.234 -9.320 1.00 0.00 C ATOM 548 OG1 THR A 34 10.687 -13.710 -10.609 1.00 0.00 O ATOM 549 CG2 THR A 34 11.633 -12.744 -8.657 1.00 0.00 C ATOM 0 H THR A 34 8.433 -14.682 -10.092 1.00 0.00 H new ATOM 0 HA THR A 34 10.417 -15.019 -8.128 1.00 0.00 H new ATOM 0 HB THR A 34 9.606 -12.436 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.871 -13.909 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.106 -11.995 -9.292 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.400 -12.303 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.313 -13.585 -8.520 1.00 0.00 H new ATOM 557 N GLU A 35 8.043 -12.804 -7.374 1.00 0.00 N ATOM 558 CA GLU A 35 7.505 -11.902 -6.369 1.00 0.00 C ATOM 559 C GLU A 35 6.443 -12.569 -5.492 1.00 0.00 C ATOM 560 O GLU A 35 6.339 -12.242 -4.311 1.00 0.00 O ATOM 561 CB GLU A 35 6.942 -10.655 -7.072 1.00 0.00 C ATOM 562 CG GLU A 35 7.963 -9.965 -7.988 1.00 0.00 C ATOM 563 CD GLU A 35 9.236 -9.550 -7.258 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.100 -8.874 -6.215 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.322 -9.910 -7.761 1.00 0.00 O ATOM 0 H GLU A 35 7.549 -12.749 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 35 8.312 -11.614 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.070 -10.940 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.600 -9.945 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.223 -10.638 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.504 -9.083 -8.435 1.00 0.00 H new ATOM 572 N PHE A 36 5.645 -13.474 -6.066 1.00 0.00 N ATOM 573 CA PHE A 36 4.471 -14.057 -5.423 1.00 0.00 C ATOM 574 C PHE A 36 4.514 -15.592 -5.465 1.00 0.00 C ATOM 575 O PHE A 36 3.601 -16.216 -6.014 1.00 0.00 O ATOM 576 CB PHE A 36 3.228 -13.508 -6.139 1.00 0.00 C ATOM 577 CG PHE A 36 3.155 -11.993 -6.163 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.128 -11.280 -4.952 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.213 -11.291 -7.379 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.206 -9.877 -4.958 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.288 -9.890 -7.388 1.00 0.00 C ATOM 582 CZ PHE A 36 3.291 -9.184 -6.176 1.00 0.00 C ATOM 0 H PHE A 36 5.803 -13.827 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 36 4.445 -13.783 -4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.217 -13.879 -7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.336 -13.898 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.047 -11.811 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.200 -11.834 -8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.201 -9.332 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.343 -9.357 -8.326 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.359 -8.106 -6.180 1.00 0.00 H new ATOM 592 N PRO A 37 5.545 -16.227 -4.882 1.00 0.00 N ATOM 593 CA PRO A 37 5.647 -17.673 -4.838 1.00 0.00 C ATOM 594 C PRO A 37 4.446 -18.262 -4.096 1.00 0.00 C ATOM 595 O PRO A 37 3.804 -17.591 -3.290 1.00 0.00 O ATOM 596 CB PRO A 37 6.975 -17.980 -4.139 1.00 0.00 C ATOM 597 CG PRO A 37 7.198 -16.748 -3.265 1.00 0.00 C ATOM 598 CD PRO A 37 6.632 -15.625 -4.131 1.00 0.00 C ATOM 0 HA PRO A 37 5.634 -18.122 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.916 -18.891 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.785 -18.119 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.677 -16.827 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.254 -16.595 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.275 -14.798 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.394 -15.221 -4.798 1.00 0.00 H new ATOM 606 N SER A 38 4.114 -19.515 -4.406 1.00 0.00 N ATOM 607 CA SER A 38 2.922 -20.224 -3.937 1.00 0.00 C ATOM 608 C SER A 38 1.627 -19.672 -4.543 1.00 0.00 C ATOM 609 O SER A 38 0.812 -20.444 -5.038 1.00 0.00 O ATOM 610 CB SER A 38 2.857 -20.278 -2.405 1.00 0.00 C ATOM 611 OG SER A 38 4.102 -20.700 -1.885 1.00 0.00 O ATOM 0 H SER A 38 4.694 -20.090 -5.018 1.00 0.00 H new ATOM 0 HA SER A 38 3.015 -21.249 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.602 -19.295 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.070 -20.963 -2.090 1.00 0.00 H new ATOM 0 HG SER A 38 4.054 -20.731 -0.907 1.00 0.00 H new ATOM 617 N LEU A 39 1.431 -18.352 -4.526 1.00 0.00 N ATOM 618 CA LEU A 39 0.217 -17.695 -4.999 1.00 0.00 C ATOM 619 C LEU A 39 -0.089 -18.037 -6.463 1.00 0.00 C ATOM 620 O LEU A 39 -1.255 -18.128 -6.837 1.00 0.00 O ATOM 621 CB LEU A 39 0.331 -16.180 -4.783 1.00 0.00 C ATOM 622 CG LEU A 39 0.387 -15.793 -3.292 1.00 0.00 C ATOM 623 CD1 LEU A 39 1.064 -14.428 -3.122 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.020 -15.750 -2.683 1.00 0.00 C ATOM 0 H LEU A 39 2.130 -17.698 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.625 -18.069 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.227 -15.812 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.521 -15.686 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 39 0.969 -16.552 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.097 -14.167 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.079 -14.474 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.498 -13.671 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.953 -15.475 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.624 -15.013 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.485 -16.732 -2.772 1.00 0.00 H new ATOM 636 N LEU A 40 0.940 -18.266 -7.292 1.00 0.00 N ATOM 637 CA LEU A 40 0.749 -18.744 -8.663 1.00 0.00 C ATOM 638 C LEU A 40 0.040 -20.106 -8.764 1.00 0.00 C ATOM 639 O LEU A 40 -0.443 -20.456 -9.837 1.00 0.00 O ATOM 640 CB LEU A 40 2.035 -18.658 -9.507 1.00 0.00 C ATOM 641 CG LEU A 40 3.275 -19.496 -9.137 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.986 -19.007 -7.874 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.013 -20.999 -9.031 1.00 0.00 C ATOM 0 H LEU A 40 1.916 -18.126 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 40 0.046 -18.043 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.765 -18.918 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.345 -17.613 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 40 3.938 -19.341 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.849 -19.642 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.318 -17.979 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.299 -19.051 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.938 -21.512 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.263 -21.184 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.651 -21.374 -9.988 1.00 0.00 H new ATOM 655 N LYS A 41 -0.053 -20.853 -7.656 1.00 0.00 N ATOM 656 CA LYS A 41 -0.848 -22.064 -7.491 1.00 0.00 C ATOM 657 C LYS A 41 -0.666 -23.095 -8.613 1.00 0.00 C ATOM 658 O LYS A 41 -1.634 -23.659 -9.120 1.00 0.00 O ATOM 659 CB LYS A 41 -2.314 -21.715 -7.175 1.00 0.00 C ATOM 660 CG LYS A 41 -3.009 -20.876 -8.258 1.00 0.00 C ATOM 661 CD LYS A 41 -4.519 -20.794 -8.012 1.00 0.00 C ATOM 662 CE LYS A 41 -5.173 -19.925 -9.092 1.00 0.00 C ATOM 663 NZ LYS A 41 -6.633 -19.845 -8.909 1.00 0.00 N ATOM 0 H LYS A 41 0.456 -20.609 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.455 -22.589 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.873 -22.640 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.351 -21.172 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.585 -19.872 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.821 -21.315 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.954 -21.794 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.714 -20.373 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.746 -18.923 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.951 -20.337 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.044 -19.250 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.042 -20.800 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.844 -19.429 -7.979 1.00 0.00 H new ATOM 677 N GLY A 42 0.592 -23.398 -8.939 1.00 0.00 N ATOM 678 CA GLY A 42 0.967 -24.446 -9.880 1.00 0.00 C ATOM 679 C GLY A 42 1.288 -23.869 -11.257 1.00 0.00 C ATOM 680 O GLY A 42 0.675 -22.899 -11.694 1.00 0.00 O ATOM 0 H GLY A 42 1.395 -22.908 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.834 -24.986 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.154 -25.167 -9.966 1.00 0.00 H new ATOM 684 N MET A 43 2.279 -24.452 -11.939 1.00 0.00 N ATOM 685 CA MET A 43 2.767 -23.915 -13.200 1.00 0.00 C ATOM 686 C MET A 43 1.694 -24.025 -14.284 1.00 0.00 C ATOM 687 O MET A 43 1.328 -23.023 -14.894 1.00 0.00 O ATOM 688 CB MET A 43 4.080 -24.606 -13.589 1.00 0.00 C ATOM 689 CG MET A 43 4.739 -23.879 -14.769 1.00 0.00 C ATOM 690 SD MET A 43 6.370 -24.476 -15.288 1.00 0.00 S ATOM 691 CE MET A 43 7.358 -24.146 -13.810 1.00 0.00 C ATOM 0 H MET A 43 2.757 -25.299 -11.632 1.00 0.00 H new ATOM 0 HA MET A 43 2.983 -22.853 -13.086 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.759 -24.618 -12.736 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.886 -25.645 -13.856 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.066 -23.941 -15.625 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.830 -22.824 -14.510 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.414 -24.294 -14.037 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.197 -23.117 -13.487 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.059 -24.827 -13.013 1.00 0.00 H new ATOM 701 N SER A 44 1.176 -25.233 -14.523 1.00 0.00 N ATOM 702 CA SER A 44 0.125 -25.496 -15.497 1.00 0.00 C ATOM 703 C SER A 44 -1.032 -24.505 -15.341 1.00 0.00 C ATOM 704 O SER A 44 -1.502 -23.915 -16.314 1.00 0.00 O ATOM 705 CB SER A 44 -0.344 -26.942 -15.303 1.00 0.00 C ATOM 706 OG SER A 44 0.777 -27.752 -14.989 1.00 0.00 O ATOM 0 H SER A 44 1.486 -26.071 -14.031 1.00 0.00 H new ATOM 0 HA SER A 44 0.509 -25.365 -16.509 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.082 -26.994 -14.503 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.829 -27.305 -16.209 1.00 0.00 H new ATOM 0 HG SER A 44 0.485 -28.679 -14.862 1.00 0.00 H new ATOM 712 N THR A 45 -1.437 -24.291 -14.086 1.00 0.00 N ATOM 713 CA THR A 45 -2.484 -23.382 -13.659 1.00 0.00 C ATOM 714 C THR A 45 -2.334 -21.971 -14.235 1.00 0.00 C ATOM 715 O THR A 45 -3.319 -21.237 -14.302 1.00 0.00 O ATOM 716 CB THR A 45 -2.502 -23.363 -12.125 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.032 -24.609 -11.636 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.917 -23.120 -11.594 1.00 0.00 C ATOM 0 H THR A 45 -1.012 -24.782 -13.299 1.00 0.00 H new ATOM 0 HA THR A 45 -3.436 -23.744 -14.047 1.00 0.00 H new ATOM 0 HB THR A 45 -1.858 -22.552 -11.784 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.820 -24.527 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.900 -23.111 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.283 -22.160 -11.959 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.577 -23.915 -11.940 1.00 0.00 H new ATOM 726 N LEU A 46 -1.125 -21.588 -14.671 1.00 0.00 N ATOM 727 CA LEU A 46 -0.874 -20.327 -15.347 1.00 0.00 C ATOM 728 C LEU A 46 -1.862 -20.138 -16.482 1.00 0.00 C ATOM 729 O LEU A 46 -2.340 -19.031 -16.686 1.00 0.00 O ATOM 730 CB LEU A 46 0.551 -20.295 -15.914 1.00 0.00 C ATOM 731 CG LEU A 46 0.896 -18.986 -16.654 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.260 -17.887 -15.652 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.064 -19.256 -17.608 1.00 0.00 C ATOM 0 H LEU A 46 -0.289 -22.161 -14.558 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.991 -19.523 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.260 -20.438 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.679 -21.133 -16.599 1.00 0.00 H new ATOM 0 HG LEU A 46 0.032 -18.644 -17.223 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.501 -16.970 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.415 -17.707 -14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.123 -18.201 -15.065 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.320 -18.339 -18.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.928 -19.598 -17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.777 -20.023 -18.327 1.00 0.00 H new ATOM 745 N ASP A 47 -2.148 -21.192 -17.244 1.00 0.00 N ATOM 746 CA ASP A 47 -3.045 -21.061 -18.377 1.00 0.00 C ATOM 747 C ASP A 47 -4.401 -20.515 -17.917 1.00 0.00 C ATOM 748 O ASP A 47 -4.891 -19.515 -18.444 1.00 0.00 O ATOM 749 CB ASP A 47 -3.159 -22.416 -19.072 1.00 0.00 C ATOM 750 CG ASP A 47 -4.092 -22.326 -20.272 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.625 -21.804 -21.308 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.252 -22.767 -20.127 1.00 0.00 O ATOM 0 H ASP A 47 -1.775 -22.130 -17.097 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.652 -20.345 -19.098 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.173 -22.749 -19.395 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.532 -23.161 -18.369 1.00 0.00 H new ATOM 757 N GLU A 48 -4.974 -21.149 -16.892 1.00 0.00 N ATOM 758 CA GLU A 48 -6.263 -20.762 -16.346 1.00 0.00 C ATOM 759 C GLU A 48 -6.157 -19.373 -15.726 1.00 0.00 C ATOM 760 O GLU A 48 -6.913 -18.473 -16.084 1.00 0.00 O ATOM 761 CB GLU A 48 -6.761 -21.786 -15.315 1.00 0.00 C ATOM 762 CG GLU A 48 -6.907 -23.204 -15.889 1.00 0.00 C ATOM 763 CD GLU A 48 -5.682 -24.073 -15.618 1.00 0.00 C ATOM 764 OE1 GLU A 48 -4.622 -23.765 -16.204 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.818 -25.018 -14.813 1.00 0.00 O ATOM 0 H GLU A 48 -4.550 -21.948 -16.420 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.993 -20.736 -17.155 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.068 -21.811 -14.474 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.724 -21.459 -14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.788 -23.679 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.074 -23.142 -16.964 1.00 0.00 H new ATOM 772 N LEU A 49 -5.205 -19.195 -14.807 1.00 0.00 N ATOM 773 CA LEU A 49 -4.985 -17.936 -14.113 1.00 0.00 C ATOM 774 C LEU A 49 -4.894 -16.796 -15.126 1.00 0.00 C ATOM 775 O LEU A 49 -5.664 -15.841 -15.059 1.00 0.00 O ATOM 776 CB LEU A 49 -3.723 -18.051 -13.247 1.00 0.00 C ATOM 777 CG LEU A 49 -3.337 -16.755 -12.512 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.457 -16.257 -11.592 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.075 -17.013 -11.681 1.00 0.00 C ATOM 0 H LEU A 49 -4.561 -19.934 -14.525 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.823 -17.713 -13.452 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.873 -18.841 -12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.890 -18.358 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.159 -15.983 -13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.139 -15.341 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.351 -16.058 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.678 -17.018 -10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.792 -16.101 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.272 -17.803 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.262 -17.319 -12.339 1.00 0.00 H new ATOM 791 N PHE A 50 -3.981 -16.917 -16.092 1.00 0.00 N ATOM 792 CA PHE A 50 -3.820 -15.945 -17.156 1.00 0.00 C ATOM 793 C PHE A 50 -5.153 -15.696 -17.852 1.00 0.00 C ATOM 794 O PHE A 50 -5.560 -14.548 -17.963 1.00 0.00 O ATOM 795 CB PHE A 50 -2.751 -16.393 -18.155 1.00 0.00 C ATOM 796 CG PHE A 50 -2.219 -15.257 -19.004 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.131 -14.507 -18.528 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.754 -14.980 -20.278 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.559 -13.503 -19.322 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.152 -13.999 -21.089 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.061 -13.256 -20.605 1.00 0.00 C ATOM 0 H PHE A 50 -3.331 -17.701 -16.151 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.483 -15.007 -16.715 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.924 -16.851 -17.612 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.169 -17.160 -18.806 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.732 -14.705 -17.544 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.622 -15.518 -20.631 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.268 -12.921 -18.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.529 -13.817 -22.085 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.610 -12.494 -21.224 1.00 0.00 H new ATOM 811 N GLU A 51 -5.851 -16.750 -18.286 1.00 0.00 N ATOM 812 CA GLU A 51 -7.133 -16.602 -18.966 1.00 0.00 C ATOM 813 C GLU A 51 -8.159 -15.843 -18.110 1.00 0.00 C ATOM 814 O GLU A 51 -8.940 -15.047 -18.628 1.00 0.00 O ATOM 815 CB GLU A 51 -7.646 -17.987 -19.384 1.00 0.00 C ATOM 816 CG GLU A 51 -8.889 -17.907 -20.278 1.00 0.00 C ATOM 817 CD GLU A 51 -9.358 -19.298 -20.688 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.984 -19.960 -19.832 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.079 -19.677 -21.846 1.00 0.00 O ATOM 0 H GLU A 51 -5.545 -17.717 -18.176 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.987 -15.995 -19.860 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.856 -18.519 -19.913 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.880 -18.568 -18.492 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.690 -17.391 -19.748 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.664 -17.318 -21.167 1.00 0.00 H new ATOM 826 N GLU A 52 -8.170 -16.094 -16.800 1.00 0.00 N ATOM 827 CA GLU A 52 -9.072 -15.429 -15.866 1.00 0.00 C ATOM 828 C GLU A 52 -8.673 -13.960 -15.701 1.00 0.00 C ATOM 829 O GLU A 52 -9.516 -13.097 -15.467 1.00 0.00 O ATOM 830 CB GLU A 52 -9.031 -16.144 -14.508 1.00 0.00 C ATOM 831 CG GLU A 52 -9.640 -17.551 -14.566 1.00 0.00 C ATOM 832 CD GLU A 52 -9.282 -18.348 -13.314 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.825 -17.993 -12.245 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.460 -19.282 -13.439 1.00 0.00 O ATOM 0 H GLU A 52 -7.548 -16.770 -16.357 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.087 -15.471 -16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.998 -16.213 -14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.570 -15.548 -13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.724 -17.480 -14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.277 -18.073 -15.451 1.00 0.00 H new ATOM 841 N LEU A 53 -7.373 -13.689 -15.771 1.00 0.00 N ATOM 842 CA LEU A 53 -6.787 -12.387 -15.512 1.00 0.00 C ATOM 843 C LEU A 53 -6.928 -11.472 -16.736 1.00 0.00 C ATOM 844 O LEU A 53 -7.477 -10.374 -16.656 1.00 0.00 O ATOM 845 CB LEU A 53 -5.317 -12.651 -15.151 1.00 0.00 C ATOM 846 CG LEU A 53 -4.569 -11.560 -14.385 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.120 -12.049 -14.249 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.632 -10.187 -15.049 1.00 0.00 C ATOM 0 H LEU A 53 -6.680 -14.396 -16.018 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.293 -11.868 -14.698 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.275 -13.565 -14.559 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.774 -12.845 -16.076 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.042 -11.408 -13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.535 -11.306 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.104 -12.992 -13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.691 -12.196 -15.240 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.079 -9.466 -14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.191 -10.244 -16.044 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.672 -9.870 -15.131 1.00 0.00 H new ATOM 860 N ASP A 54 -6.425 -11.920 -17.887 1.00 0.00 N ATOM 861 CA ASP A 54 -6.205 -11.117 -19.083 1.00 0.00 C ATOM 862 C ASP A 54 -7.457 -10.870 -19.931 1.00 0.00 C ATOM 863 O ASP A 54 -7.398 -10.881 -21.158 1.00 0.00 O ATOM 864 CB ASP A 54 -5.066 -11.745 -19.899 1.00 0.00 C ATOM 865 CG ASP A 54 -5.479 -12.832 -20.891 1.00 0.00 C ATOM 866 OD1 ASP A 54 -6.372 -13.634 -20.545 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.885 -12.835 -21.991 1.00 0.00 O ATOM 0 H ASP A 54 -6.149 -12.894 -18.013 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.922 -10.118 -18.752 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.558 -10.952 -20.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.339 -12.169 -19.206 1.00 0.00 H new ATOM 872 N LYS A 55 -8.584 -10.606 -19.280 1.00 0.00 N ATOM 873 CA LYS A 55 -9.893 -10.544 -19.927 1.00 0.00 C ATOM 874 C LYS A 55 -9.904 -9.643 -21.170 1.00 0.00 C ATOM 875 O LYS A 55 -10.405 -10.044 -22.218 1.00 0.00 O ATOM 876 CB LYS A 55 -10.975 -10.114 -18.926 1.00 0.00 C ATOM 877 CG LYS A 55 -11.103 -11.030 -17.699 1.00 0.00 C ATOM 878 CD LYS A 55 -11.216 -12.527 -18.026 1.00 0.00 C ATOM 879 CE LYS A 55 -12.367 -12.876 -18.977 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.401 -14.326 -19.233 1.00 0.00 N ATOM 0 H LYS A 55 -8.617 -10.427 -18.276 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.118 -11.552 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.758 -9.101 -18.587 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.935 -10.079 -19.440 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.236 -10.877 -17.056 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.981 -10.729 -17.128 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.278 -12.863 -18.469 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.346 -13.082 -17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.314 -12.555 -18.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.246 -12.337 -19.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.186 -14.546 -19.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.503 -14.623 -19.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.538 -14.834 -18.336 1.00 0.00 H new ATOM 894 N ALA A 56 -9.353 -8.432 -21.056 1.00 0.00 N ATOM 895 CA ALA A 56 -9.173 -7.524 -22.187 1.00 0.00 C ATOM 896 C ALA A 56 -7.830 -7.786 -22.876 1.00 0.00 C ATOM 897 O ALA A 56 -7.696 -7.629 -24.086 1.00 0.00 O ATOM 898 CB ALA A 56 -9.250 -6.079 -21.688 1.00 0.00 C ATOM 0 H ALA A 56 -9.018 -8.053 -20.170 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.963 -7.695 -22.918 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.116 -5.397 -22.527 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.223 -5.904 -21.229 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.465 -5.906 -20.951 1.00 0.00 H new ATOM 904 N GLY A 57 -6.829 -8.156 -22.076 1.00 0.00 N ATOM 905 CA GLY A 57 -5.443 -8.348 -22.455 1.00 0.00 C ATOM 906 C GLY A 57 -5.248 -9.371 -23.569 1.00 0.00 C ATOM 907 O GLY A 57 -4.323 -9.229 -24.370 1.00 0.00 O ATOM 0 H GLY A 57 -6.983 -8.339 -21.084 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.027 -7.392 -22.775 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.877 -8.665 -21.579 1.00 0.00 H new ATOM 911 N ASP A 58 -6.096 -10.407 -23.585 1.00 0.00 N ATOM 912 CA ASP A 58 -6.222 -11.433 -24.618 1.00 0.00 C ATOM 913 C ASP A 58 -4.885 -11.754 -25.297 1.00 0.00 C ATOM 914 O ASP A 58 -4.744 -11.629 -26.511 1.00 0.00 O ATOM 915 CB ASP A 58 -7.304 -11.003 -25.620 1.00 0.00 C ATOM 916 CG ASP A 58 -7.611 -12.082 -26.657 1.00 0.00 C ATOM 917 OD1 ASP A 58 -7.547 -13.275 -26.285 1.00 0.00 O ATOM 918 OD2 ASP A 58 -7.929 -11.695 -27.803 1.00 0.00 O ATOM 0 H ASP A 58 -6.756 -10.557 -22.822 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.529 -12.368 -24.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.217 -10.755 -25.078 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.980 -10.096 -26.131 1.00 0.00 H new ATOM 923 N GLY A 59 -3.895 -12.147 -24.492 1.00 0.00 N ATOM 924 CA GLY A 59 -2.525 -12.344 -24.940 1.00 0.00 C ATOM 925 C GLY A 59 -1.529 -11.710 -23.975 1.00 0.00 C ATOM 926 O GLY A 59 -0.526 -12.341 -23.645 1.00 0.00 O ATOM 0 H GLY A 59 -4.030 -12.338 -23.499 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.319 -13.411 -25.029 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.399 -11.911 -25.932 1.00 0.00 H new ATOM 930 N GLU A 60 -1.783 -10.472 -23.528 1.00 0.00 N ATOM 931 CA GLU A 60 -0.854 -9.722 -22.684 1.00 0.00 C ATOM 932 C GLU A 60 -1.610 -8.983 -21.576 1.00 0.00 C ATOM 933 O GLU A 60 -2.598 -8.314 -21.853 1.00 0.00 O ATOM 934 CB GLU A 60 -0.079 -8.713 -23.537 1.00 0.00 C ATOM 935 CG GLU A 60 0.676 -9.318 -24.730 1.00 0.00 C ATOM 936 CD GLU A 60 1.410 -8.248 -25.539 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.523 -7.110 -25.027 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.827 -8.585 -26.667 1.00 0.00 O ATOM 0 H GLU A 60 -2.641 -9.965 -23.744 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.158 -10.424 -22.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.777 -7.963 -23.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.636 -8.194 -22.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.392 -10.057 -24.370 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.027 -9.844 -25.376 1.00 0.00 H new ATOM 945 N VAL A 61 -1.129 -9.052 -20.333 1.00 0.00 N ATOM 946 CA VAL A 61 -1.803 -8.500 -19.164 1.00 0.00 C ATOM 947 C VAL A 61 -1.394 -7.038 -18.977 1.00 0.00 C ATOM 948 O VAL A 61 -0.213 -6.749 -18.781 1.00 0.00 O ATOM 949 CB VAL A 61 -1.429 -9.344 -17.932 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.899 -8.698 -16.622 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.072 -10.726 -18.052 1.00 0.00 C ATOM 0 H VAL A 61 -0.242 -9.503 -20.110 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.884 -8.532 -19.298 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.342 -9.417 -17.904 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.612 -9.330 -15.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.436 -7.717 -16.513 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.983 -8.587 -16.639 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.809 -11.326 -17.181 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.155 -10.620 -18.106 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.710 -11.218 -18.955 1.00 0.00 H new ATOM 961 N SER A 62 -2.368 -6.124 -19.027 1.00 0.00 N ATOM 962 CA SER A 62 -2.162 -4.700 -18.781 1.00 0.00 C ATOM 963 C SER A 62 -2.163 -4.394 -17.285 1.00 0.00 C ATOM 964 O SER A 62 -2.699 -5.165 -16.489 1.00 0.00 O ATOM 965 CB SER A 62 -3.210 -3.898 -19.560 1.00 0.00 C ATOM 966 OG SER A 62 -4.511 -4.247 -19.123 1.00 0.00 O ATOM 0 H SER A 62 -3.336 -6.360 -19.243 1.00 0.00 H new ATOM 0 HA SER A 62 -1.178 -4.400 -19.142 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.043 -2.830 -19.416 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.111 -4.095 -20.627 1.00 0.00 H new ATOM 0 HG SER A 62 -4.721 -5.158 -19.417 1.00 0.00 H new ATOM 972 N PHE A 63 -1.555 -3.267 -16.892 1.00 0.00 N ATOM 973 CA PHE A 63 -1.441 -2.885 -15.487 1.00 0.00 C ATOM 974 C PHE A 63 -2.819 -2.835 -14.824 1.00 0.00 C ATOM 975 O PHE A 63 -2.986 -3.237 -13.675 1.00 0.00 O ATOM 976 CB PHE A 63 -0.716 -1.540 -15.347 1.00 0.00 C ATOM 977 CG PHE A 63 -0.399 -1.171 -13.908 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.452 -1.997 -13.149 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.994 -0.046 -13.306 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.666 -1.731 -11.787 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.732 0.254 -11.957 1.00 0.00 C ATOM 982 CZ PHE A 63 0.098 -0.589 -11.196 1.00 0.00 C ATOM 0 H PHE A 63 -1.132 -2.601 -17.538 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.848 -3.643 -14.975 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.212 -1.575 -15.918 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.332 -0.756 -15.788 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.942 -2.838 -13.616 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.653 0.588 -13.881 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.267 -2.404 -11.193 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.169 1.132 -11.505 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.298 -0.359 -10.160 1.00 0.00 H new ATOM 992 N GLU A 64 -3.814 -2.366 -15.576 1.00 0.00 N ATOM 993 CA GLU A 64 -5.205 -2.302 -15.165 1.00 0.00 C ATOM 994 C GLU A 64 -5.695 -3.693 -14.762 1.00 0.00 C ATOM 995 O GLU A 64 -6.297 -3.867 -13.706 1.00 0.00 O ATOM 996 CB GLU A 64 -6.052 -1.721 -16.310 1.00 0.00 C ATOM 997 CG GLU A 64 -5.775 -0.231 -16.585 1.00 0.00 C ATOM 998 CD GLU A 64 -4.360 0.074 -17.078 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.817 -0.770 -17.826 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.830 1.129 -16.670 1.00 0.00 O ATOM 0 H GLU A 64 -3.662 -2.009 -16.520 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.304 -1.648 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.860 -2.292 -17.219 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.108 -1.848 -16.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.489 0.127 -17.327 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.956 0.333 -15.670 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.415 -4.698 -15.592 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.796 -6.069 -15.289 1.00 0.00 C ATOM 1009 C GLU A 65 -4.952 -6.591 -14.126 1.00 0.00 C ATOM 1010 O GLU A 65 -5.439 -7.304 -13.251 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.630 -6.918 -16.546 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.581 -6.425 -17.640 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.286 -7.132 -18.946 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -5.180 -6.890 -19.484 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -7.169 -7.904 -19.378 1.00 0.00 O ATOM 0 H GLU A 65 -4.925 -4.584 -16.479 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.841 -6.119 -14.982 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.600 -6.865 -16.897 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.836 -7.964 -16.318 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.614 -6.608 -17.344 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.472 -5.348 -17.768 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.680 -6.200 -14.085 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.810 -6.518 -12.969 1.00 0.00 C ATOM 1024 C PHE A 66 -3.412 -6.012 -11.648 1.00 0.00 C ATOM 1025 O PHE A 66 -3.348 -6.701 -10.638 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.400 -5.995 -13.233 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.352 -6.626 -12.350 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.282 -7.822 -12.736 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.004 -6.000 -11.145 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.345 -8.326 -11.971 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.070 -6.502 -10.386 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.767 -7.643 -10.819 1.00 0.00 C ATOM 0 H PHE A 66 -3.231 -5.657 -14.823 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.727 -7.600 -12.868 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.143 -6.177 -14.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.387 -4.915 -13.085 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.049 -8.350 -13.618 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.542 -5.133 -10.803 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.839 -9.239 -12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.356 -6.011 -9.467 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.626 -7.994 -10.266 1.00 0.00 H new ATOM 1042 N GLN A 67 -4.061 -4.846 -11.636 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.812 -4.404 -10.457 1.00 0.00 C ATOM 1044 C GLN A 67 -5.861 -5.434 -10.029 1.00 0.00 C ATOM 1045 O GLN A 67 -6.081 -5.615 -8.835 1.00 0.00 O ATOM 1046 CB GLN A 67 -5.477 -3.029 -10.631 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.546 -1.894 -11.074 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.189 -1.947 -10.386 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.020 -1.449 -9.277 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.212 -2.561 -11.039 1.00 0.00 N ATOM 0 H GLN A 67 -4.083 -4.195 -12.421 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.065 -4.306 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.279 -3.123 -11.363 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.940 -2.747 -9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.404 -1.946 -12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.020 -0.936 -10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.388 -2.964 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.284 -2.631 -10.621 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.505 -6.131 -10.970 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.376 -7.246 -10.607 1.00 0.00 C ATOM 1061 C VAL A 68 -6.520 -8.347 -9.969 1.00 0.00 C ATOM 1062 O VAL A 68 -6.838 -8.839 -8.888 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.200 -7.751 -11.808 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.258 -8.758 -11.339 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.912 -6.593 -12.521 1.00 0.00 C ATOM 0 H VAL A 68 -6.440 -5.946 -11.971 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.114 -6.910 -9.879 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.507 -8.227 -12.502 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.833 -9.107 -12.196 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.767 -9.606 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.927 -8.277 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.485 -6.981 -13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.585 -6.095 -11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.172 -5.879 -12.884 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.406 -8.707 -10.620 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.442 -9.675 -10.094 1.00 0.00 C ATOM 1077 C LEU A 69 -4.060 -9.359 -8.636 1.00 0.00 C ATOM 1078 O LEU A 69 -4.001 -10.282 -7.821 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.243 -9.803 -11.057 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.203 -10.905 -10.789 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.130 -10.439 -9.801 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.842 -12.235 -10.381 1.00 0.00 C ATOM 0 H LEU A 69 -5.149 -8.331 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.903 -10.661 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.639 -9.957 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.719 -8.847 -11.064 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.699 -11.100 -11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.413 -11.243 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.613 -9.570 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.599 -10.171 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.061 -12.975 -10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.422 -12.095 -9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.498 -12.583 -11.179 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.865 -8.078 -8.281 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.584 -7.649 -6.906 1.00 0.00 C ATOM 1096 C VAL A 70 -4.508 -8.336 -5.891 1.00 0.00 C ATOM 1097 O VAL A 70 -4.053 -8.787 -4.838 1.00 0.00 O ATOM 1098 CB VAL A 70 -3.560 -6.119 -6.725 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -3.283 -5.766 -5.255 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -2.439 -5.470 -7.549 1.00 0.00 C ATOM 0 H VAL A 70 -3.899 -7.307 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.566 -7.980 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.531 -5.749 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.268 -4.682 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.066 -6.188 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.318 -6.176 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.453 -4.391 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.476 -5.869 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.591 -5.689 -8.606 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.801 -8.440 -6.206 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.780 -8.993 -5.277 1.00 0.00 C ATOM 1112 C LYS A 71 -6.521 -10.482 -5.030 1.00 0.00 C ATOM 1113 O LYS A 71 -6.888 -10.998 -3.979 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.217 -8.763 -5.769 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.716 -7.320 -5.599 1.00 0.00 C ATOM 1116 CD LYS A 71 -8.003 -6.325 -6.523 1.00 0.00 C ATOM 1117 CE LYS A 71 -8.711 -4.966 -6.568 1.00 0.00 C ATOM 1118 NZ LYS A 71 -8.726 -4.312 -5.248 1.00 0.00 N ATOM 0 H LYS A 71 -6.192 -8.147 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.667 -8.465 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.276 -9.035 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.886 -9.433 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.787 -7.287 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.573 -7.012 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.977 -6.187 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.952 -6.739 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.210 -4.319 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.734 -5.101 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.153 -3.367 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.284 -4.885 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.752 -4.221 -4.894 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.901 -11.176 -5.990 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.524 -12.568 -5.820 1.00 0.00 C ATOM 1134 C LYS A 72 -4.240 -12.627 -4.992 1.00 0.00 C ATOM 1135 O LYS A 72 -4.219 -13.234 -3.921 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.359 -13.257 -7.183 1.00 0.00 C ATOM 1137 CG LYS A 72 -6.538 -12.983 -8.129 1.00 0.00 C ATOM 1138 CD LYS A 72 -6.381 -13.813 -9.411 1.00 0.00 C ATOM 1139 CE LYS A 72 -7.473 -13.500 -10.442 1.00 0.00 C ATOM 1140 NZ LYS A 72 -7.355 -12.131 -10.974 1.00 0.00 N ATOM 0 H LYS A 72 -5.651 -10.785 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.310 -13.107 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.436 -12.914 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.260 -14.332 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.477 -13.233 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.580 -11.922 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.403 -13.618 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.413 -14.874 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.412 -14.214 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.453 -13.627 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.999 -12.016 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.606 -11.447 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.377 -11.962 -11.284 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.166 -11.987 -5.477 1.00 0.00 N ATOM 1155 CA ILE A 73 -1.863 -12.063 -4.813 1.00 0.00 C ATOM 1156 C ILE A 73 -1.965 -11.644 -3.347 1.00 0.00 C ATOM 1157 O ILE A 73 -1.327 -12.262 -2.498 1.00 0.00 O ATOM 1158 CB ILE A 73 -0.754 -11.280 -5.544 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -1.154 -9.831 -5.817 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.409 -11.978 -6.863 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -0.008 -8.927 -6.276 1.00 0.00 C ATOM 0 H ILE A 73 -3.176 -11.415 -6.322 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.565 -13.111 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 73 0.119 -11.263 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.934 -9.821 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.589 -9.411 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.375 -11.421 -7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.060 -12.990 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.296 -12.021 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.386 -7.919 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.765 -8.901 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.414 -9.317 -7.202 1.00 0.00 H new ATOM 1173 N SER A 74 -2.764 -10.613 -3.048 1.00 0.00 N ATOM 1174 CA SER A 74 -3.001 -10.090 -1.708 1.00 0.00 C ATOM 1175 C SER A 74 -1.771 -9.342 -1.170 1.00 0.00 C ATOM 1176 O SER A 74 -1.867 -8.173 -0.805 1.00 0.00 O ATOM 1177 CB SER A 74 -3.503 -11.198 -0.769 1.00 0.00 C ATOM 1178 OG SER A 74 -4.577 -11.903 -1.368 1.00 0.00 O ATOM 0 H SER A 74 -3.281 -10.104 -3.765 1.00 0.00 H new ATOM 0 HA SER A 74 -3.797 -9.348 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.690 -11.887 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.827 -10.763 0.177 1.00 0.00 H new ATOM 0 HG SER A 74 -4.248 -12.404 -2.143 1.00 0.00 H new ATOM 1184 N GLN A 75 -0.614 -10.010 -1.141 1.00 0.00 N ATOM 1185 CA GLN A 75 0.699 -9.436 -0.878 1.00 0.00 C ATOM 1186 C GLN A 75 0.899 -8.146 -1.684 1.00 0.00 C ATOM 1187 O GLN A 75 1.331 -7.147 -1.069 1.00 0.00 O ATOM 1188 CB GLN A 75 1.742 -10.499 -1.261 1.00 0.00 C ATOM 1189 CG GLN A 75 3.199 -10.107 -0.974 1.00 0.00 C ATOM 1190 CD GLN A 75 4.153 -11.121 -1.605 1.00 0.00 C ATOM 1191 OE1 GLN A 75 3.940 -12.325 -1.504 1.00 0.00 O ATOM 1192 NE2 GLN A 75 5.175 -10.651 -2.313 1.00 0.00 N ATOM 1193 OXT GLN A 75 0.653 -8.194 -2.910 1.00 0.00 O ATOM 0 H GLN A 75 -0.571 -11.015 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 75 0.801 -9.167 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.516 -11.420 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.643 -10.718 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.400 -9.112 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.366 -10.061 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.329 -9.645 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.805 -11.296 -2.789 1.00 0.00 H new TER 1202 GLN A 75