USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 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 41 CYS SG : rot 91:sc= 0.806 USER MOD Set 1.2: A 51 THR OG1 : rot -164:sc= 1.38 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -3.77! (180deg=-5.51!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0933 (180deg=-0.461) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -3:sc= -0.533 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 100:sc= -0.674 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 0.750 -1.553 -2.535 1.00 35.32 N ATOM 19 CA LYS A 10 0.430 -2.743 -3.314 1.00 71.43 C ATOM 20 C LYS A 10 -0.169 -2.364 -4.665 1.00 31.40 C ATOM 21 O LYS A 10 -0.860 -1.352 -4.786 1.00 23.11 O ATOM 22 CB LYS A 10 -0.546 -3.636 -2.544 1.00 50.30 C ATOM 23 CG LYS A 10 0.125 -4.795 -1.829 1.00 22.35 C ATOM 24 CD LYS A 10 -0.713 -6.060 -1.909 1.00 22.33 C ATOM 25 CE LYS A 10 -0.709 -6.816 -0.588 1.00 55.45 C ATOM 26 NZ LYS A 10 -1.167 -8.223 -0.754 1.00 30.15 N ATOM 0 HA LYS A 10 1.355 -3.292 -3.487 1.00 71.43 H new ATOM 0 HB2 LYS A 10 -1.081 -3.030 -1.813 1.00 50.30 H new ATOM 0 HB3 LYS A 10 -1.290 -4.029 -3.237 1.00 50.30 H new ATOM 0 HG2 LYS A 10 1.105 -4.978 -2.271 1.00 22.35 H new ATOM 0 HG3 LYS A 10 0.290 -4.532 -0.784 1.00 22.35 H new ATOM 0 HD2 LYS A 10 -1.737 -5.803 -2.179 1.00 22.33 H new ATOM 0 HD3 LYS A 10 -0.327 -6.704 -2.699 1.00 22.33 H new ATOM 0 HE2 LYS A 10 0.297 -6.808 -0.168 1.00 55.45 H new ATOM 0 HE3 LYS A 10 -1.356 -6.305 0.125 1.00 55.45 H new ATOM 0 HZ1 LYS A 10 -1.150 -8.705 0.168 1.00 30.15 H new ATOM 0 HZ2 LYS A 10 -2.136 -8.230 -1.131 1.00 30.15 H new ATOM 0 HZ3 LYS A 10 -0.535 -8.718 -1.415 1.00 30.15 H new ATOM 40 N ILE A 11 0.099 -3.183 -5.676 1.00 74.45 N ATOM 41 CA ILE A 11 -0.417 -2.935 -7.017 1.00 45.51 C ATOM 42 C ILE A 11 -0.980 -4.210 -7.635 1.00 12.41 C ATOM 43 O ILE A 11 -0.562 -5.316 -7.294 1.00 23.15 O ATOM 44 CB ILE A 11 0.675 -2.368 -7.944 1.00 5.24 C ATOM 45 CG1 ILE A 11 1.781 -3.404 -8.159 1.00 13.14 C ATOM 46 CG2 ILE A 11 1.250 -1.085 -7.362 1.00 25.13 C ATOM 47 CD1 ILE A 11 2.024 -3.735 -9.614 1.00 54.15 C ATOM 0 H ILE A 11 0.670 -4.024 -5.592 1.00 74.45 H new ATOM 0 HA ILE A 11 -1.216 -2.200 -6.916 1.00 45.51 H new ATOM 0 HB ILE A 11 0.227 -2.137 -8.910 1.00 5.24 H new ATOM 0 HG12 ILE A 11 2.707 -3.032 -7.720 1.00 13.14 H new ATOM 0 HG13 ILE A 11 1.520 -4.318 -7.625 1.00 13.14 H new ATOM 0 HG21 ILE A 11 2.020 -0.696 -8.028 1.00 25.13 H new ATOM 0 HG22 ILE A 11 0.456 -0.346 -7.255 1.00 25.13 H new ATOM 0 HG23 ILE A 11 1.686 -1.292 -6.385 1.00 25.13 H new ATOM 0 HD11 ILE A 11 2.820 -4.475 -9.691 1.00 54.15 H new ATOM 0 HD12 ILE A 11 1.111 -4.137 -10.053 1.00 54.15 H new ATOM 0 HD13 ILE A 11 2.316 -2.831 -10.149 1.00 54.15 H new ATOM 59 N LYS A 12 -1.932 -4.048 -8.548 1.00 44.51 N ATOM 60 CA LYS A 12 -2.552 -5.185 -9.218 1.00 1.44 C ATOM 61 C LYS A 12 -2.287 -5.142 -10.719 1.00 73.52 C ATOM 62 O LYS A 12 -2.651 -4.180 -11.396 1.00 73.41 O ATOM 63 CB LYS A 12 -4.060 -5.197 -8.955 1.00 25.22 C ATOM 64 CG LYS A 12 -4.426 -4.935 -7.504 1.00 53.55 C ATOM 65 CD LYS A 12 -5.841 -5.394 -7.195 1.00 53.11 C ATOM 66 CE LYS A 12 -5.872 -6.851 -6.761 1.00 23.31 C ATOM 67 NZ LYS A 12 -6.768 -7.063 -5.591 1.00 55.10 N ATOM 0 H LYS A 12 -2.291 -3.139 -8.841 1.00 44.51 H new ATOM 0 HA LYS A 12 -2.112 -6.097 -8.815 1.00 1.44 H new ATOM 0 HB2 LYS A 12 -4.536 -4.444 -9.583 1.00 25.22 H new ATOM 0 HB3 LYS A 12 -4.465 -6.164 -9.254 1.00 25.22 H new ATOM 0 HG2 LYS A 12 -3.724 -5.453 -6.851 1.00 53.55 H new ATOM 0 HG3 LYS A 12 -4.333 -3.870 -7.291 1.00 53.55 H new ATOM 0 HD2 LYS A 12 -6.263 -4.770 -6.408 1.00 53.11 H new ATOM 0 HD3 LYS A 12 -6.468 -5.263 -8.077 1.00 53.11 H new ATOM 0 HE2 LYS A 12 -6.208 -7.470 -7.593 1.00 23.31 H new ATOM 0 HE3 LYS A 12 -4.863 -7.176 -6.509 1.00 23.31 H new ATOM 0 HZ1 LYS A 12 -6.761 -8.069 -5.326 1.00 55.10 H new ATOM 0 HZ2 LYS A 12 -6.433 -6.492 -4.789 1.00 55.10 H new ATOM 0 HZ3 LYS A 12 -7.737 -6.777 -5.839 1.00 55.10 H new ATOM 81 N ILE A 13 -1.654 -6.191 -11.233 1.00 63.14 N ATOM 82 CA ILE A 13 -1.344 -6.274 -12.655 1.00 44.12 C ATOM 83 C ILE A 13 -2.018 -7.482 -13.296 1.00 34.24 C ATOM 84 O ILE A 13 -1.761 -8.625 -12.916 1.00 3.51 O ATOM 85 CB ILE A 13 0.175 -6.361 -12.896 1.00 1.20 C ATOM 86 CG1 ILE A 13 0.468 -6.523 -14.389 1.00 3.11 C ATOM 87 CG2 ILE A 13 0.772 -7.515 -12.105 1.00 74.40 C ATOM 88 CD1 ILE A 13 1.945 -6.598 -14.710 1.00 54.11 C ATOM 0 H ILE A 13 -1.346 -6.995 -10.686 1.00 63.14 H new ATOM 0 HA ILE A 13 -1.726 -5.362 -13.114 1.00 44.12 H new ATOM 0 HB ILE A 13 0.636 -5.435 -12.553 1.00 1.20 H new ATOM 0 HG12 ILE A 13 -0.021 -7.428 -14.751 1.00 3.11 H new ATOM 0 HG13 ILE A 13 0.029 -5.685 -14.930 1.00 3.11 H new ATOM 0 HG21 ILE A 13 1.846 -7.563 -12.286 1.00 74.40 H new ATOM 0 HG22 ILE A 13 0.590 -7.360 -11.042 1.00 74.40 H new ATOM 0 HG23 ILE A 13 0.309 -8.450 -12.420 1.00 74.40 H new ATOM 0 HD11 ILE A 13 2.078 -6.713 -15.786 1.00 54.11 H new ATOM 0 HD12 ILE A 13 2.436 -5.683 -14.379 1.00 54.11 H new ATOM 0 HD13 ILE A 13 2.386 -7.453 -14.197 1.00 54.11 H new ATOM 100 N VAL A 14 -2.883 -7.222 -14.271 1.00 72.21 N ATOM 101 CA VAL A 14 -3.593 -8.288 -14.967 1.00 75.24 C ATOM 102 C VAL A 14 -3.266 -8.285 -16.456 1.00 74.34 C ATOM 103 O VAL A 14 -3.494 -7.305 -17.165 1.00 52.14 O ATOM 104 CB VAL A 14 -5.118 -8.158 -14.787 1.00 44.25 C ATOM 105 CG1 VAL A 14 -5.594 -6.788 -15.245 1.00 11.44 C ATOM 106 CG2 VAL A 14 -5.839 -9.262 -15.544 1.00 74.45 C ATOM 0 H VAL A 14 -3.109 -6.282 -14.597 1.00 72.21 H new ATOM 0 HA VAL A 14 -3.262 -9.229 -14.527 1.00 75.24 H new ATOM 0 HB VAL A 14 -5.352 -8.262 -13.728 1.00 44.25 H new ATOM 0 HG11 VAL A 14 -6.673 -6.714 -15.111 1.00 11.44 H new ATOM 0 HG12 VAL A 14 -5.101 -6.015 -14.655 1.00 11.44 H new ATOM 0 HG13 VAL A 14 -5.349 -6.651 -16.298 1.00 11.44 H new ATOM 0 HG21 VAL A 14 -6.915 -9.155 -15.406 1.00 74.45 H new ATOM 0 HG22 VAL A 14 -5.600 -9.191 -16.605 1.00 74.45 H new ATOM 0 HG23 VAL A 14 -5.519 -10.232 -15.164 1.00 74.45 H new ATOM 116 N PRO A 15 -2.719 -9.409 -16.944 1.00 53.42 N ATOM 117 CA PRO A 15 -2.350 -9.561 -18.355 1.00 22.45 C ATOM 118 C PRO A 15 -3.568 -9.642 -19.268 1.00 14.14 C ATOM 119 O PRO A 15 -4.551 -10.312 -18.950 1.00 3.42 O ATOM 120 CB PRO A 15 -1.576 -10.882 -18.377 1.00 73.15 C ATOM 121 CG PRO A 15 -2.091 -11.643 -17.205 1.00 33.12 C ATOM 122 CD PRO A 15 -2.420 -10.616 -16.157 1.00 22.24 C ATOM 0 HA PRO A 15 -1.778 -8.709 -18.721 1.00 22.45 H new ATOM 0 HB2 PRO A 15 -1.746 -11.425 -19.307 1.00 73.15 H new ATOM 0 HB3 PRO A 15 -0.502 -10.713 -18.298 1.00 73.15 H new ATOM 0 HG2 PRO A 15 -2.974 -12.223 -17.474 1.00 33.12 H new ATOM 0 HG3 PRO A 15 -1.345 -12.349 -16.839 1.00 33.12 H new ATOM 0 HD2 PRO A 15 -3.272 -10.921 -15.549 1.00 22.24 H new ATOM 0 HD3 PRO A 15 -1.584 -10.455 -15.476 1.00 22.24 H new ATOM 130 N ALA A 16 -3.498 -8.955 -20.403 1.00 65.33 N ATOM 131 CA ALA A 16 -4.594 -8.952 -21.363 1.00 52.45 C ATOM 132 C ALA A 16 -4.468 -10.111 -22.346 1.00 21.24 C ATOM 133 O ALA A 16 -4.395 -9.907 -23.557 1.00 41.54 O ATOM 134 CB ALA A 16 -4.637 -7.627 -22.111 1.00 10.14 C ATOM 0 H ALA A 16 -2.693 -8.393 -20.680 1.00 65.33 H new ATOM 0 HA ALA A 16 -5.526 -9.077 -20.812 1.00 52.45 H new ATOM 0 HB1 ALA A 16 -5.461 -7.639 -22.825 1.00 10.14 H new ATOM 0 HB2 ALA A 16 -4.784 -6.813 -21.401 1.00 10.14 H new ATOM 0 HB3 ALA A 16 -3.697 -7.479 -22.643 1.00 10.14 H new ATOM 170 N GLY A 20 -6.931 -13.494 -18.714 1.00 0.14 N ATOM 171 CA GLY A 20 -6.511 -12.334 -17.949 1.00 35.35 C ATOM 172 C GLY A 20 -6.862 -12.452 -16.478 1.00 42.15 C ATOM 173 O GLY A 20 -8.012 -12.250 -16.089 1.00 71.14 O ATOM 0 HA2 GLY A 20 -5.434 -12.204 -18.053 1.00 35.35 H new ATOM 0 HA3 GLY A 20 -6.981 -11.441 -18.361 1.00 35.35 H new ATOM 177 N SER A 21 -5.868 -12.781 -15.659 1.00 51.14 N ATOM 178 CA SER A 21 -6.078 -12.931 -14.224 1.00 52.32 C ATOM 179 C SER A 21 -5.231 -11.930 -13.444 1.00 14.13 C ATOM 180 O SER A 21 -4.019 -11.826 -13.629 1.00 23.41 O ATOM 181 CB SER A 21 -5.739 -14.356 -13.784 1.00 1.03 C ATOM 182 OG SER A 21 -6.558 -14.764 -12.701 1.00 44.23 O ATOM 0 H SER A 21 -4.909 -12.949 -15.965 1.00 51.14 H new ATOM 0 HA SER A 21 -7.129 -12.734 -14.013 1.00 52.32 H new ATOM 0 HB2 SER A 21 -5.872 -15.040 -14.622 1.00 1.03 H new ATOM 0 HB3 SER A 21 -4.690 -14.410 -13.491 1.00 1.03 H new ATOM 0 HG SER A 21 -6.323 -15.679 -12.440 1.00 44.23 H new ATOM 188 N PRO A 22 -5.885 -11.174 -12.549 1.00 20.10 N ATOM 189 CA PRO A 22 -5.213 -10.168 -11.721 1.00 41.14 C ATOM 190 C PRO A 22 -4.301 -10.795 -10.672 1.00 75.21 C ATOM 191 O PRO A 22 -4.706 -11.706 -9.948 1.00 11.32 O ATOM 192 CB PRO A 22 -6.373 -9.429 -11.049 1.00 61.12 C ATOM 193 CG PRO A 22 -7.490 -10.414 -11.032 1.00 32.42 C ATOM 194 CD PRO A 22 -7.330 -11.244 -12.276 1.00 13.21 C ATOM 0 HA PRO A 22 -4.563 -9.522 -12.312 1.00 41.14 H new ATOM 0 HB2 PRO A 22 -6.109 -9.112 -10.040 1.00 61.12 H new ATOM 0 HB3 PRO A 22 -6.645 -8.531 -11.604 1.00 61.12 H new ATOM 0 HG2 PRO A 22 -7.447 -11.037 -10.139 1.00 32.42 H new ATOM 0 HG3 PRO A 22 -8.456 -9.909 -11.022 1.00 32.42 H new ATOM 0 HD2 PRO A 22 -7.660 -12.271 -12.119 1.00 13.21 H new ATOM 0 HD3 PRO A 22 -7.915 -10.844 -13.104 1.00 13.21 H new ATOM 202 N LEU A 23 -3.070 -10.303 -10.595 1.00 30.13 N ATOM 203 CA LEU A 23 -2.100 -10.815 -9.633 1.00 34.44 C ATOM 204 C LEU A 23 -1.602 -9.702 -8.716 1.00 70.35 C ATOM 205 O LEU A 23 -1.407 -8.568 -9.152 1.00 70.21 O ATOM 206 CB LEU A 23 -0.920 -11.458 -10.362 1.00 25.40 C ATOM 207 CG LEU A 23 -0.485 -12.833 -9.854 1.00 21.52 C ATOM 208 CD1 LEU A 23 -1.273 -13.933 -10.548 1.00 55.12 C ATOM 209 CD2 LEU A 23 1.009 -13.032 -10.064 1.00 61.01 C ATOM 0 H LEU A 23 -2.719 -9.550 -11.187 1.00 30.13 H new ATOM 0 HA LEU A 23 -2.595 -11.569 -9.021 1.00 34.44 H new ATOM 0 HB2 LEU A 23 -1.176 -11.547 -11.418 1.00 25.40 H new ATOM 0 HB3 LEU A 23 -0.067 -10.782 -10.297 1.00 25.40 H new ATOM 0 HG LEU A 23 -0.692 -12.885 -8.785 1.00 21.52 H new ATOM 0 HD11 LEU A 23 -0.949 -14.904 -10.173 1.00 55.12 H new ATOM 0 HD12 LEU A 23 -2.336 -13.802 -10.346 1.00 55.12 H new ATOM 0 HD13 LEU A 23 -1.099 -13.882 -11.623 1.00 55.12 H new ATOM 0 HD21 LEU A 23 1.300 -14.016 -9.696 1.00 61.01 H new ATOM 0 HD22 LEU A 23 1.240 -12.959 -11.127 1.00 61.01 H new ATOM 0 HD23 LEU A 23 1.558 -12.264 -9.519 1.00 61.01 H new ATOM 221 N GLU A 24 -1.396 -10.036 -7.446 1.00 52.12 N ATOM 222 CA GLU A 24 -0.919 -9.064 -6.470 1.00 1.04 C ATOM 223 C GLU A 24 0.606 -9.060 -6.407 1.00 12.33 C ATOM 224 O GLU A 24 1.235 -10.107 -6.254 1.00 23.34 O ATOM 225 CB GLU A 24 -1.496 -9.372 -5.086 1.00 54.24 C ATOM 226 CG GLU A 24 -2.889 -8.805 -4.868 1.00 50.43 C ATOM 227 CD GLU A 24 -3.723 -9.652 -3.927 1.00 53.04 C ATOM 228 OE1 GLU A 24 -3.154 -10.560 -3.286 1.00 14.14 O ATOM 229 OE2 GLU A 24 -4.944 -9.408 -3.833 1.00 52.10 O ATOM 0 H GLU A 24 -1.552 -10.971 -7.070 1.00 52.12 H new ATOM 0 HA GLU A 24 -1.256 -8.076 -6.785 1.00 1.04 H new ATOM 0 HB2 GLU A 24 -1.527 -10.453 -4.947 1.00 54.24 H new ATOM 0 HB3 GLU A 24 -0.826 -8.971 -4.325 1.00 54.24 H new ATOM 0 HG2 GLU A 24 -2.807 -7.795 -4.466 1.00 50.43 H new ATOM 0 HG3 GLU A 24 -3.399 -8.726 -5.828 1.00 50.43 H new ATOM 236 N LEU A 25 1.193 -7.874 -6.527 1.00 24.35 N ATOM 237 CA LEU A 25 2.645 -7.732 -6.484 1.00 73.00 C ATOM 238 C LEU A 25 3.045 -6.452 -5.758 1.00 43.32 C ATOM 239 O LEU A 25 2.265 -5.503 -5.678 1.00 25.35 O ATOM 240 CB LEU A 25 3.218 -7.729 -7.902 1.00 43.31 C ATOM 241 CG LEU A 25 3.899 -9.021 -8.354 1.00 31.42 C ATOM 242 CD1 LEU A 25 3.365 -9.460 -9.709 1.00 22.34 C ATOM 243 CD2 LEU A 25 5.409 -8.839 -8.407 1.00 13.21 C ATOM 0 H LEU A 25 0.687 -6.998 -6.655 1.00 24.35 H new ATOM 0 HA LEU A 25 3.053 -8.581 -5.936 1.00 73.00 H new ATOM 0 HB2 LEU A 25 2.410 -7.505 -8.598 1.00 43.31 H new ATOM 0 HB3 LEU A 25 3.939 -6.916 -7.979 1.00 43.31 H new ATOM 0 HG LEU A 25 3.673 -9.801 -7.627 1.00 31.42 H new ATOM 0 HD11 LEU A 25 3.861 -10.381 -10.015 1.00 22.34 H new ATOM 0 HD12 LEU A 25 2.291 -9.633 -9.638 1.00 22.34 H new ATOM 0 HD13 LEU A 25 3.560 -8.681 -10.446 1.00 22.34 H new ATOM 0 HD21 LEU A 25 5.876 -9.769 -8.731 1.00 13.21 H new ATOM 0 HD22 LEU A 25 5.655 -8.045 -9.112 1.00 13.21 H new ATOM 0 HD23 LEU A 25 5.778 -8.573 -7.417 1.00 13.21 H new ATOM 255 N GLU A 26 4.267 -6.432 -5.234 1.00 33.12 N ATOM 256 CA GLU A 26 4.771 -5.267 -4.516 1.00 74.11 C ATOM 257 C GLU A 26 5.874 -4.574 -5.310 1.00 51.14 C ATOM 258 O GLU A 26 6.987 -5.087 -5.426 1.00 71.03 O ATOM 259 CB GLU A 26 5.299 -5.677 -3.140 1.00 34.22 C ATOM 260 CG GLU A 26 4.218 -6.185 -2.200 1.00 1.01 C ATOM 261 CD GLU A 26 4.787 -6.838 -0.955 1.00 63.35 C ATOM 262 OE1 GLU A 26 5.543 -6.165 -0.224 1.00 70.31 O ATOM 263 OE2 GLU A 26 4.476 -8.023 -0.713 1.00 62.43 O ATOM 0 H GLU A 26 4.926 -7.209 -5.293 1.00 33.12 H new ATOM 0 HA GLU A 26 3.945 -4.567 -4.387 1.00 74.11 H new ATOM 0 HB2 GLU A 26 6.053 -6.454 -3.266 1.00 34.22 H new ATOM 0 HB3 GLU A 26 5.795 -4.822 -2.681 1.00 34.22 H new ATOM 0 HG2 GLU A 26 3.575 -5.354 -1.909 1.00 1.01 H new ATOM 0 HG3 GLU A 26 3.591 -6.903 -2.728 1.00 1.01 H new ATOM 270 N VAL A 27 5.556 -3.404 -5.857 1.00 23.43 N ATOM 271 CA VAL A 27 6.519 -2.640 -6.640 1.00 5.31 C ATOM 272 C VAL A 27 6.392 -1.146 -6.361 1.00 61.34 C ATOM 273 O VAL A 27 5.426 -0.700 -5.744 1.00 53.11 O ATOM 274 CB VAL A 27 6.338 -2.887 -8.149 1.00 53.43 C ATOM 275 CG1 VAL A 27 6.401 -4.375 -8.459 1.00 1.44 C ATOM 276 CG2 VAL A 27 5.025 -2.289 -8.632 1.00 50.33 C ATOM 0 H VAL A 27 4.639 -2.966 -5.772 1.00 23.43 H new ATOM 0 HA VAL A 27 7.511 -2.980 -6.341 1.00 5.31 H new ATOM 0 HB VAL A 27 7.153 -2.395 -8.680 1.00 53.43 H new ATOM 0 HG11 VAL A 27 6.271 -4.529 -9.530 1.00 1.44 H new ATOM 0 HG12 VAL A 27 7.369 -4.770 -8.150 1.00 1.44 H new ATOM 0 HG13 VAL A 27 5.608 -4.893 -7.919 1.00 1.44 H new ATOM 0 HG21 VAL A 27 4.913 -2.473 -9.701 1.00 50.33 H new ATOM 0 HG22 VAL A 27 4.196 -2.750 -8.096 1.00 50.33 H new ATOM 0 HG23 VAL A 27 5.024 -1.215 -8.446 1.00 50.33 H new ATOM 286 N ALA A 28 7.374 -0.378 -6.821 1.00 64.34 N ATOM 287 CA ALA A 28 7.371 1.066 -6.624 1.00 62.12 C ATOM 288 C ALA A 28 7.511 1.802 -7.952 1.00 62.45 C ATOM 289 O ALA A 28 8.539 1.727 -8.626 1.00 22.21 O ATOM 290 CB ALA A 28 8.488 1.471 -5.674 1.00 1.22 C ATOM 0 H ALA A 28 8.182 -0.732 -7.333 1.00 64.34 H new ATOM 0 HA ALA A 28 6.414 1.345 -6.183 1.00 62.12 H new ATOM 0 HB1 ALA A 28 8.474 2.552 -5.536 1.00 1.22 H new ATOM 0 HB2 ALA A 28 8.343 0.980 -4.712 1.00 1.22 H new ATOM 0 HB3 ALA A 28 9.449 1.171 -6.093 1.00 1.22 H new ATOM 296 N PRO A 29 6.454 2.530 -8.341 1.00 33.31 N ATOM 297 CA PRO A 29 6.435 3.293 -9.592 1.00 52.02 C ATOM 298 C PRO A 29 7.372 4.495 -9.552 1.00 53.40 C ATOM 299 O PRO A 29 7.662 5.102 -10.582 1.00 4.11 O ATOM 300 CB PRO A 29 4.979 3.753 -9.705 1.00 61.11 C ATOM 301 CG PRO A 29 4.480 3.778 -8.302 1.00 33.52 C ATOM 302 CD PRO A 29 5.195 2.664 -7.588 1.00 4.30 C ATOM 0 HA PRO A 29 6.775 2.696 -10.439 1.00 52.02 H new ATOM 0 HB2 PRO A 29 4.910 4.738 -10.167 1.00 61.11 H new ATOM 0 HB3 PRO A 29 4.395 3.070 -10.321 1.00 61.11 H new ATOM 0 HG2 PRO A 29 4.687 4.739 -7.831 1.00 33.52 H new ATOM 0 HG3 PRO A 29 3.400 3.633 -8.269 1.00 33.52 H new ATOM 0 HD2 PRO A 29 5.377 2.909 -6.541 1.00 4.30 H new ATOM 0 HD3 PRO A 29 4.617 1.740 -7.604 1.00 4.30 H new ATOM 310 N ASN A 30 7.842 4.834 -8.356 1.00 15.03 N ATOM 311 CA ASN A 30 8.746 5.965 -8.182 1.00 21.31 C ATOM 312 C ASN A 30 10.195 5.541 -8.401 1.00 23.43 C ATOM 313 O ASN A 30 11.122 6.310 -8.149 1.00 64.32 O ATOM 314 CB ASN A 30 8.584 6.564 -6.783 1.00 60.15 C ATOM 315 CG ASN A 30 7.130 6.682 -6.370 1.00 33.41 C ATOM 316 OD1 ASN A 30 6.246 6.855 -7.209 1.00 42.15 O ATOM 317 ND2 ASN A 30 6.875 6.588 -5.070 1.00 70.30 N ATOM 0 H ASN A 30 7.612 4.342 -7.493 1.00 15.03 H new ATOM 0 HA ASN A 30 8.490 6.720 -8.925 1.00 21.31 H new ATOM 0 HB2 ASN A 30 9.115 5.943 -6.061 1.00 60.15 H new ATOM 0 HB3 ASN A 30 9.048 7.550 -6.757 1.00 60.15 H new ATOM 0 HD21 ASN A 30 5.915 6.659 -4.732 1.00 70.30 H new ATOM 0 HD22 ASN A 30 7.639 6.445 -4.410 1.00 70.30 H new ATOM 324 N ALA A 31 10.382 4.312 -8.871 1.00 72.24 N ATOM 325 CA ALA A 31 11.717 3.786 -9.127 1.00 1.22 C ATOM 326 C ALA A 31 12.021 3.762 -10.621 1.00 2.41 C ATOM 327 O ALA A 31 12.735 4.625 -11.134 1.00 55.12 O ATOM 328 CB ALA A 31 11.857 2.391 -8.535 1.00 42.34 C ATOM 0 H ALA A 31 9.625 3.662 -9.082 1.00 72.24 H new ATOM 0 HA ALA A 31 12.439 4.447 -8.647 1.00 1.22 H new ATOM 0 HB1 ALA A 31 12.859 2.010 -8.734 1.00 42.34 H new ATOM 0 HB2 ALA A 31 11.692 2.434 -7.458 1.00 42.34 H new ATOM 0 HB3 ALA A 31 11.120 1.728 -8.988 1.00 42.34 H new ATOM 334 N THR A 32 11.476 2.768 -11.315 1.00 43.24 N ATOM 335 CA THR A 32 11.691 2.631 -12.750 1.00 71.13 C ATOM 336 C THR A 32 10.580 1.811 -13.396 1.00 50.04 C ATOM 337 O THR A 32 10.080 0.852 -12.808 1.00 52.22 O ATOM 338 CB THR A 32 13.047 1.967 -13.055 1.00 30.34 C ATOM 339 OG1 THR A 32 13.735 1.675 -11.833 1.00 35.11 O ATOM 340 CG2 THR A 32 13.909 2.870 -13.924 1.00 73.42 C ATOM 0 H THR A 32 10.882 2.046 -10.906 1.00 43.24 H new ATOM 0 HA THR A 32 11.686 3.638 -13.168 1.00 71.13 H new ATOM 0 HB THR A 32 12.859 1.040 -13.597 1.00 30.34 H new ATOM 0 HG1 THR A 32 14.595 1.252 -12.035 1.00 35.11 H new ATOM 0 HG21 THR A 32 14.861 2.380 -14.126 1.00 73.42 H new ATOM 0 HG22 THR A 32 13.396 3.067 -14.865 1.00 73.42 H new ATOM 0 HG23 THR A 32 14.089 3.811 -13.405 1.00 73.42 H new ATOM 348 N VAL A 33 10.198 2.194 -14.611 1.00 21.32 N ATOM 349 CA VAL A 33 9.147 1.492 -15.338 1.00 51.31 C ATOM 350 C VAL A 33 9.604 0.100 -15.758 1.00 21.22 C ATOM 351 O VAL A 33 8.891 -0.884 -15.565 1.00 12.32 O ATOM 352 CB VAL A 33 8.711 2.277 -16.590 1.00 22.30 C ATOM 353 CG1 VAL A 33 7.636 1.515 -17.350 1.00 14.43 C ATOM 354 CG2 VAL A 33 8.222 3.665 -16.205 1.00 64.21 C ATOM 0 H VAL A 33 10.601 2.986 -15.112 1.00 21.32 H new ATOM 0 HA VAL A 33 8.298 1.403 -14.660 1.00 51.31 H new ATOM 0 HB VAL A 33 9.574 2.390 -17.246 1.00 22.30 H new ATOM 0 HG11 VAL A 33 7.340 2.085 -18.231 1.00 14.43 H new ATOM 0 HG12 VAL A 33 8.027 0.545 -17.659 1.00 14.43 H new ATOM 0 HG13 VAL A 33 6.769 1.368 -16.705 1.00 14.43 H new ATOM 0 HG21 VAL A 33 7.918 4.205 -17.102 1.00 64.21 H new ATOM 0 HG22 VAL A 33 7.372 3.577 -15.529 1.00 64.21 H new ATOM 0 HG23 VAL A 33 9.025 4.209 -15.708 1.00 64.21 H new ATOM 364 N GLY A 34 10.800 0.024 -16.333 1.00 64.04 N ATOM 365 CA GLY A 34 11.333 -1.253 -16.771 1.00 42.24 C ATOM 366 C GLY A 34 11.598 -2.198 -15.616 1.00 54.21 C ATOM 367 O GLY A 34 11.455 -3.412 -15.754 1.00 31.32 O ATOM 0 H GLY A 34 11.410 0.824 -16.503 1.00 64.04 H new ATOM 0 HA2 GLY A 34 10.631 -1.718 -17.463 1.00 42.24 H new ATOM 0 HA3 GLY A 34 12.260 -1.087 -17.321 1.00 42.24 H new ATOM 371 N ALA A 35 11.986 -1.640 -14.474 1.00 53.31 N ATOM 372 CA ALA A 35 12.270 -2.441 -13.290 1.00 45.03 C ATOM 373 C ALA A 35 11.009 -3.125 -12.774 1.00 1.22 C ATOM 374 O ALA A 35 11.022 -4.313 -12.453 1.00 21.23 O ATOM 375 CB ALA A 35 12.887 -1.574 -12.202 1.00 73.31 C ATOM 0 H ALA A 35 12.111 -0.636 -14.344 1.00 53.31 H new ATOM 0 HA ALA A 35 12.983 -3.217 -13.569 1.00 45.03 H new ATOM 0 HB1 ALA A 35 13.094 -2.185 -11.323 1.00 73.31 H new ATOM 0 HB2 ALA A 35 13.817 -1.138 -12.568 1.00 73.31 H new ATOM 0 HB3 ALA A 35 12.193 -0.777 -11.934 1.00 73.31 H new ATOM 381 N VAL A 36 9.920 -2.366 -12.695 1.00 62.43 N ATOM 382 CA VAL A 36 8.650 -2.900 -12.218 1.00 10.41 C ATOM 383 C VAL A 36 8.080 -3.920 -13.196 1.00 60.52 C ATOM 384 O VAL A 36 7.635 -4.997 -12.797 1.00 44.11 O ATOM 385 CB VAL A 36 7.616 -1.778 -12.002 1.00 60.55 C ATOM 386 CG1 VAL A 36 6.279 -2.361 -11.568 1.00 45.44 C ATOM 387 CG2 VAL A 36 8.126 -0.773 -10.981 1.00 71.11 C ATOM 0 H VAL A 36 9.892 -1.380 -12.955 1.00 62.43 H new ATOM 0 HA VAL A 36 8.850 -3.389 -11.265 1.00 10.41 H new ATOM 0 HB VAL A 36 7.468 -1.256 -12.948 1.00 60.55 H new ATOM 0 HG11 VAL A 36 5.561 -1.554 -11.420 1.00 45.44 H new ATOM 0 HG12 VAL A 36 5.910 -3.038 -12.338 1.00 45.44 H new ATOM 0 HG13 VAL A 36 6.407 -2.909 -10.634 1.00 45.44 H new ATOM 0 HG21 VAL A 36 7.383 0.012 -10.841 1.00 71.11 H new ATOM 0 HG22 VAL A 36 8.304 -1.278 -10.031 1.00 71.11 H new ATOM 0 HG23 VAL A 36 9.057 -0.332 -11.338 1.00 71.11 H new ATOM 397 N ARG A 37 8.097 -3.575 -14.480 1.00 31.55 N ATOM 398 CA ARG A 37 7.581 -4.462 -15.516 1.00 10.22 C ATOM 399 C ARG A 37 8.359 -5.774 -15.545 1.00 75.42 C ATOM 400 O ARG A 37 7.781 -6.847 -15.726 1.00 24.24 O ATOM 401 CB ARG A 37 7.657 -3.781 -16.884 1.00 1.25 C ATOM 402 CG ARG A 37 7.124 -4.637 -18.021 1.00 14.34 C ATOM 403 CD ARG A 37 6.844 -3.803 -19.262 1.00 22.35 C ATOM 404 NE ARG A 37 7.959 -3.836 -20.205 1.00 13.42 N ATOM 405 CZ ARG A 37 8.145 -2.925 -21.153 1.00 43.53 C ATOM 406 NH1 ARG A 37 7.296 -1.915 -21.283 1.00 41.34 N ATOM 407 NH2 ARG A 37 9.184 -3.022 -21.974 1.00 34.23 N ATOM 0 H ARG A 37 8.462 -2.688 -14.827 1.00 31.55 H new ATOM 0 HA ARG A 37 6.539 -4.683 -15.285 1.00 10.22 H new ATOM 0 HB2 ARG A 37 7.094 -2.848 -16.848 1.00 1.25 H new ATOM 0 HB3 ARG A 37 8.694 -3.519 -17.093 1.00 1.25 H new ATOM 0 HG2 ARG A 37 7.847 -5.417 -18.261 1.00 14.34 H new ATOM 0 HG3 ARG A 37 6.209 -5.137 -17.703 1.00 14.34 H new ATOM 0 HD2 ARG A 37 5.943 -4.173 -19.752 1.00 22.35 H new ATOM 0 HD3 ARG A 37 6.647 -2.772 -18.969 1.00 22.35 H new ATOM 0 HE ARG A 37 8.631 -4.600 -20.131 1.00 13.42 H new ATOM 0 HH11 ARG A 37 6.497 -1.836 -20.654 1.00 41.34 H new ATOM 0 HH12 ARG A 37 7.442 -1.217 -22.012 1.00 41.34 H new ATOM 0 HH21 ARG A 37 9.840 -3.797 -21.877 1.00 34.23 H new ATOM 0 HH22 ARG A 37 9.326 -2.322 -22.702 1.00 34.23 H new ATOM 421 N THR A 38 9.673 -5.682 -15.367 1.00 52.11 N ATOM 422 CA THR A 38 10.530 -6.861 -15.375 1.00 11.42 C ATOM 423 C THR A 38 10.308 -7.710 -14.129 1.00 31.13 C ATOM 424 O THR A 38 10.352 -8.939 -14.186 1.00 72.24 O ATOM 425 CB THR A 38 12.018 -6.472 -15.459 1.00 62.42 C ATOM 426 OG1 THR A 38 12.262 -5.725 -16.656 1.00 4.12 O ATOM 427 CG2 THR A 38 12.902 -7.710 -15.439 1.00 62.31 C ATOM 0 H THR A 38 10.167 -4.803 -15.215 1.00 52.11 H new ATOM 0 HA THR A 38 10.263 -7.441 -16.258 1.00 11.42 H new ATOM 0 HB THR A 38 12.260 -5.857 -14.592 1.00 62.42 H new ATOM 0 HG1 THR A 38 12.009 -4.789 -16.515 1.00 4.12 H new ATOM 0 HG21 THR A 38 13.948 -7.411 -15.499 1.00 62.31 H new ATOM 0 HG22 THR A 38 12.735 -8.261 -14.514 1.00 62.31 H new ATOM 0 HG23 THR A 38 12.657 -8.346 -16.290 1.00 62.31 H new ATOM 435 N LYS A 39 10.068 -7.048 -13.002 1.00 5.11 N ATOM 436 CA LYS A 39 9.837 -7.742 -11.741 1.00 1.24 C ATOM 437 C LYS A 39 8.554 -8.565 -11.800 1.00 1.54 C ATOM 438 O LYS A 39 8.531 -9.727 -11.395 1.00 11.14 O ATOM 439 CB LYS A 39 9.759 -6.737 -10.589 1.00 53.10 C ATOM 440 CG LYS A 39 10.277 -7.282 -9.270 1.00 24.13 C ATOM 441 CD LYS A 39 11.580 -6.614 -8.864 1.00 2.43 C ATOM 442 CE LYS A 39 12.779 -7.293 -9.507 1.00 43.33 C ATOM 443 NZ LYS A 39 13.499 -8.174 -8.547 1.00 30.40 N ATOM 0 H LYS A 39 10.028 -6.031 -12.937 1.00 5.11 H new ATOM 0 HA LYS A 39 10.674 -8.419 -11.569 1.00 1.24 H new ATOM 0 HB2 LYS A 39 10.331 -5.848 -10.855 1.00 53.10 H new ATOM 0 HB3 LYS A 39 8.723 -6.423 -10.461 1.00 53.10 H new ATOM 0 HG2 LYS A 39 9.529 -7.126 -8.492 1.00 24.13 H new ATOM 0 HG3 LYS A 39 10.430 -8.358 -9.355 1.00 24.13 H new ATOM 0 HD2 LYS A 39 11.557 -5.563 -9.154 1.00 2.43 H new ATOM 0 HD3 LYS A 39 11.682 -6.643 -7.779 1.00 2.43 H new ATOM 0 HE2 LYS A 39 12.447 -7.882 -10.362 1.00 43.33 H new ATOM 0 HE3 LYS A 39 13.464 -6.536 -9.888 1.00 43.33 H new ATOM 0 HZ1 LYS A 39 14.309 -8.618 -9.024 1.00 30.40 H new ATOM 0 HZ2 LYS A 39 13.838 -7.608 -7.743 1.00 30.40 H new ATOM 0 HZ3 LYS A 39 12.853 -8.913 -8.202 1.00 30.40 H new ATOM 457 N VAL A 40 7.488 -7.955 -12.308 1.00 10.51 N ATOM 458 CA VAL A 40 6.202 -8.632 -12.422 1.00 52.34 C ATOM 459 C VAL A 40 6.248 -9.722 -13.486 1.00 71.54 C ATOM 460 O VAL A 40 5.675 -10.799 -13.312 1.00 3.23 O ATOM 461 CB VAL A 40 5.074 -7.641 -12.767 1.00 44.53 C ATOM 462 CG1 VAL A 40 4.864 -6.653 -11.629 1.00 62.52 C ATOM 463 CG2 VAL A 40 5.385 -6.911 -14.066 1.00 24.53 C ATOM 0 H VAL A 40 7.490 -6.993 -12.647 1.00 10.51 H new ATOM 0 HA VAL A 40 5.995 -9.083 -11.452 1.00 52.34 H new ATOM 0 HB VAL A 40 4.150 -8.203 -12.904 1.00 44.53 H new ATOM 0 HG11 VAL A 40 4.064 -5.961 -11.891 1.00 62.52 H new ATOM 0 HG12 VAL A 40 4.594 -7.194 -10.722 1.00 62.52 H new ATOM 0 HG13 VAL A 40 5.784 -6.095 -11.457 1.00 62.52 H new ATOM 0 HG21 VAL A 40 4.578 -6.215 -14.295 1.00 24.53 H new ATOM 0 HG22 VAL A 40 6.320 -6.360 -13.959 1.00 24.53 H new ATOM 0 HG23 VAL A 40 5.481 -7.634 -14.876 1.00 24.53 H new ATOM 473 N CYS A 41 6.933 -9.438 -14.588 1.00 53.43 N ATOM 474 CA CYS A 41 7.054 -10.395 -15.682 1.00 53.23 C ATOM 475 C CYS A 41 7.780 -11.655 -15.224 1.00 64.01 C ATOM 476 O CYS A 41 7.358 -12.771 -15.525 1.00 63.12 O ATOM 477 CB CYS A 41 7.796 -9.763 -16.861 1.00 24.05 C ATOM 478 SG CYS A 41 6.750 -8.757 -17.938 1.00 42.45 S ATOM 0 H CYS A 41 7.413 -8.552 -14.748 1.00 53.43 H new ATOM 0 HA CYS A 41 6.050 -10.673 -16.002 1.00 53.23 H new ATOM 0 HB2 CYS A 41 8.606 -9.143 -16.476 1.00 24.05 H new ATOM 0 HB3 CYS A 41 8.255 -10.554 -17.454 1.00 24.05 H new ATOM 0 HG CYS A 41 6.752 -7.526 -17.519 1.00 42.45 H new ATOM 484 N ALA A 42 8.876 -11.468 -14.496 1.00 23.22 N ATOM 485 CA ALA A 42 9.662 -12.590 -13.996 1.00 13.31 C ATOM 486 C ALA A 42 8.858 -13.424 -13.005 1.00 31.34 C ATOM 487 O ALA A 42 8.860 -14.653 -13.069 1.00 33.22 O ATOM 488 CB ALA A 42 10.945 -12.089 -13.349 1.00 15.11 C ATOM 0 H ALA A 42 9.240 -10.550 -14.239 1.00 23.22 H new ATOM 0 HA ALA A 42 9.920 -13.227 -14.842 1.00 13.31 H new ATOM 0 HB1 ALA A 42 11.522 -12.937 -12.980 1.00 15.11 H new ATOM 0 HB2 ALA A 42 11.534 -11.542 -14.085 1.00 15.11 H new ATOM 0 HB3 ALA A 42 10.699 -11.428 -12.518 1.00 15.11 H new ATOM 494 N MET A 43 8.172 -12.748 -12.088 1.00 65.43 N ATOM 495 CA MET A 43 7.364 -13.429 -11.083 1.00 53.15 C ATOM 496 C MET A 43 6.290 -14.290 -11.742 1.00 10.54 C ATOM 497 O MET A 43 5.866 -15.303 -11.187 1.00 33.34 O ATOM 498 CB MET A 43 6.713 -12.410 -10.146 1.00 2.12 C ATOM 499 CG MET A 43 6.677 -12.857 -8.693 1.00 44.24 C ATOM 500 SD MET A 43 7.925 -12.036 -7.683 1.00 62.12 S ATOM 501 CE MET A 43 7.053 -11.882 -6.126 1.00 71.34 C ATOM 0 H MET A 43 8.160 -11.730 -12.021 1.00 65.43 H new ATOM 0 HA MET A 43 8.020 -14.078 -10.503 1.00 53.15 H new ATOM 0 HB2 MET A 43 7.256 -11.467 -10.214 1.00 2.12 H new ATOM 0 HB3 MET A 43 5.695 -12.217 -10.484 1.00 2.12 H new ATOM 0 HG2 MET A 43 5.689 -12.655 -8.279 1.00 44.24 H new ATOM 0 HG3 MET A 43 6.828 -13.935 -8.645 1.00 44.24 H new ATOM 0 HE1 MET A 43 7.696 -11.391 -5.396 1.00 71.34 H new ATOM 0 HE2 MET A 43 6.151 -11.288 -6.272 1.00 71.34 H new ATOM 0 HE3 MET A 43 6.781 -12.873 -5.762 1.00 71.34 H new ATOM 511 N LYS A 44 5.854 -13.879 -12.928 1.00 32.23 N ATOM 512 CA LYS A 44 4.830 -14.613 -13.663 1.00 2.43 C ATOM 513 C LYS A 44 5.460 -15.517 -14.717 1.00 22.10 C ATOM 514 O LYS A 44 4.777 -16.329 -15.342 1.00 25.34 O ATOM 515 CB LYS A 44 3.855 -13.639 -14.328 1.00 34.02 C ATOM 516 CG LYS A 44 3.295 -12.595 -13.378 1.00 11.54 C ATOM 517 CD LYS A 44 2.822 -11.358 -14.124 1.00 24.03 C ATOM 518 CE LYS A 44 1.780 -11.706 -15.175 1.00 41.03 C ATOM 519 NZ LYS A 44 0.939 -10.530 -15.533 1.00 31.32 N ATOM 0 H LYS A 44 6.194 -13.042 -13.401 1.00 32.23 H new ATOM 0 HA LYS A 44 4.285 -15.236 -12.954 1.00 2.43 H new ATOM 0 HB2 LYS A 44 4.363 -13.135 -15.150 1.00 34.02 H new ATOM 0 HB3 LYS A 44 3.030 -14.204 -14.761 1.00 34.02 H new ATOM 0 HG2 LYS A 44 2.464 -13.022 -12.816 1.00 11.54 H new ATOM 0 HG3 LYS A 44 4.059 -12.314 -12.653 1.00 11.54 H new ATOM 0 HD2 LYS A 44 2.402 -10.643 -13.416 1.00 24.03 H new ATOM 0 HD3 LYS A 44 3.673 -10.872 -14.601 1.00 24.03 H new ATOM 0 HE2 LYS A 44 2.277 -12.082 -16.069 1.00 41.03 H new ATOM 0 HE3 LYS A 44 1.143 -12.508 -14.803 1.00 41.03 H new ATOM 0 HZ1 LYS A 44 0.570 -10.648 -16.498 1.00 31.32 H new ATOM 0 HZ2 LYS A 44 0.145 -10.455 -14.866 1.00 31.32 H new ATOM 0 HZ3 LYS A 44 1.514 -9.665 -15.485 1.00 31.32 H new ATOM 533 N LYS A 45 6.767 -15.373 -14.910 1.00 11.55 N ATOM 534 CA LYS A 45 7.491 -16.178 -15.886 1.00 13.00 C ATOM 535 C LYS A 45 7.003 -15.885 -17.301 1.00 61.23 C ATOM 536 O LYS A 45 6.583 -16.790 -18.024 1.00 22.01 O ATOM 537 CB LYS A 45 7.322 -17.667 -15.575 1.00 1.11 C ATOM 538 CG LYS A 45 8.315 -18.557 -16.303 1.00 10.52 C ATOM 539 CD LYS A 45 9.729 -18.356 -15.783 1.00 34.32 C ATOM 540 CE LYS A 45 9.860 -18.811 -14.337 1.00 65.34 C ATOM 541 NZ LYS A 45 9.424 -20.224 -14.159 1.00 4.14 N ATOM 0 H LYS A 45 7.347 -14.705 -14.402 1.00 11.55 H new ATOM 0 HA LYS A 45 8.548 -15.918 -15.823 1.00 13.00 H new ATOM 0 HB2 LYS A 45 7.429 -17.820 -14.501 1.00 1.11 H new ATOM 0 HB3 LYS A 45 6.310 -17.973 -15.841 1.00 1.11 H new ATOM 0 HG2 LYS A 45 8.027 -19.601 -16.181 1.00 10.52 H new ATOM 0 HG3 LYS A 45 8.285 -18.340 -17.371 1.00 10.52 H new ATOM 0 HD2 LYS A 45 10.430 -18.912 -16.406 1.00 34.32 H new ATOM 0 HD3 LYS A 45 10.000 -17.303 -15.860 1.00 34.32 H new ATOM 0 HE2 LYS A 45 10.897 -18.708 -14.016 1.00 65.34 H new ATOM 0 HE3 LYS A 45 9.262 -18.163 -13.697 1.00 65.34 H new ATOM 0 HZ1 LYS A 45 9.772 -20.583 -13.247 1.00 4.14 H new ATOM 0 HZ2 LYS A 45 8.385 -20.271 -14.176 1.00 4.14 H new ATOM 0 HZ3 LYS A 45 9.810 -20.806 -14.930 1.00 4.14 H new ATOM 555 N LEU A 46 7.063 -14.617 -17.692 1.00 54.10 N ATOM 556 CA LEU A 46 6.628 -14.205 -19.022 1.00 45.04 C ATOM 557 C LEU A 46 7.801 -13.663 -19.834 1.00 73.44 C ATOM 558 O LEU A 46 8.831 -13.264 -19.292 1.00 42.31 O ATOM 559 CB LEU A 46 5.533 -13.143 -18.917 1.00 14.03 C ATOM 560 CG LEU A 46 4.111 -13.664 -18.703 1.00 61.34 C ATOM 561 CD1 LEU A 46 3.151 -12.511 -18.459 1.00 55.34 C ATOM 562 CD2 LEU A 46 3.661 -14.491 -19.899 1.00 23.52 C ATOM 0 H LEU A 46 7.409 -13.856 -17.107 1.00 54.10 H new ATOM 0 HA LEU A 46 6.228 -15.080 -19.534 1.00 45.04 H new ATOM 0 HB2 LEU A 46 5.781 -12.474 -18.093 1.00 14.03 H new ATOM 0 HB3 LEU A 46 5.546 -12.545 -19.828 1.00 14.03 H new ATOM 0 HG LEU A 46 4.108 -14.305 -17.821 1.00 61.34 H new ATOM 0 HD11 LEU A 46 2.144 -12.901 -18.309 1.00 55.34 H new ATOM 0 HD12 LEU A 46 3.462 -11.960 -17.572 1.00 55.34 H new ATOM 0 HD13 LEU A 46 3.157 -11.844 -19.321 1.00 55.34 H new ATOM 0 HD21 LEU A 46 2.647 -14.854 -19.730 1.00 23.52 H new ATOM 0 HD22 LEU A 46 3.680 -13.873 -20.797 1.00 23.52 H new ATOM 0 HD23 LEU A 46 4.333 -15.339 -20.028 1.00 23.52 H new ATOM 574 N PRO A 47 7.641 -13.647 -21.166 1.00 61.10 N ATOM 575 CA PRO A 47 8.675 -13.154 -22.081 1.00 73.12 C ATOM 576 C PRO A 47 8.860 -11.644 -21.987 1.00 1.44 C ATOM 577 O PRO A 47 7.985 -10.862 -22.360 1.00 0.14 O ATOM 578 CB PRO A 47 8.140 -13.542 -23.462 1.00 40.21 C ATOM 579 CG PRO A 47 6.663 -13.624 -23.287 1.00 31.41 C ATOM 580 CD PRO A 47 6.439 -14.108 -21.881 1.00 21.21 C ATOM 0 HA PRO A 47 9.655 -13.575 -21.854 1.00 73.12 H new ATOM 0 HB2 PRO A 47 8.409 -12.800 -24.214 1.00 40.21 H new ATOM 0 HB3 PRO A 47 8.553 -14.495 -23.793 1.00 40.21 H new ATOM 0 HG2 PRO A 47 6.197 -12.651 -23.444 1.00 31.41 H new ATOM 0 HG3 PRO A 47 6.222 -14.309 -24.011 1.00 31.41 H new ATOM 0 HD2 PRO A 47 5.530 -13.687 -21.451 1.00 21.21 H new ATOM 0 HD3 PRO A 47 6.339 -15.193 -21.841 1.00 21.21 H new ATOM 588 N PRO A 48 10.026 -11.220 -21.477 1.00 22.55 N ATOM 589 CA PRO A 48 10.354 -9.800 -21.322 1.00 51.02 C ATOM 590 C PRO A 48 10.577 -9.108 -22.662 1.00 54.54 C ATOM 591 O PRO A 48 10.391 -7.897 -22.785 1.00 10.44 O ATOM 592 CB PRO A 48 11.651 -9.821 -20.509 1.00 73.43 C ATOM 593 CG PRO A 48 12.263 -11.146 -20.807 1.00 72.53 C ATOM 594 CD PRO A 48 11.115 -12.096 -21.012 1.00 30.23 C ATOM 0 HA PRO A 48 9.546 -9.245 -20.846 1.00 51.02 H new ATOM 0 HB2 PRO A 48 12.313 -9.005 -20.799 1.00 73.43 H new ATOM 0 HB3 PRO A 48 11.452 -9.707 -19.443 1.00 73.43 H new ATOM 0 HG2 PRO A 48 12.891 -11.095 -21.697 1.00 72.53 H new ATOM 0 HG3 PRO A 48 12.900 -11.475 -19.986 1.00 72.53 H new ATOM 0 HD2 PRO A 48 11.355 -12.864 -21.748 1.00 30.23 H new ATOM 0 HD3 PRO A 48 10.850 -12.611 -20.089 1.00 30.23 H new ATOM 602 N ASP A 49 10.975 -9.883 -23.665 1.00 33.13 N ATOM 603 CA ASP A 49 11.221 -9.344 -24.997 1.00 63.12 C ATOM 604 C ASP A 49 9.937 -8.789 -25.605 1.00 72.41 C ATOM 605 O ASP A 49 9.938 -7.724 -26.222 1.00 44.43 O ATOM 606 CB ASP A 49 11.806 -10.425 -25.908 1.00 32.13 C ATOM 607 CG ASP A 49 13.178 -10.884 -25.454 1.00 72.14 C ATOM 608 OD1 ASP A 49 13.255 -11.617 -24.446 1.00 5.32 O ATOM 609 OD2 ASP A 49 14.174 -10.512 -26.109 1.00 13.41 O ATOM 0 H ASP A 49 11.134 -10.887 -23.581 1.00 33.13 H new ATOM 0 HA ASP A 49 11.939 -8.529 -24.905 1.00 63.12 H new ATOM 0 HB2 ASP A 49 11.130 -11.280 -25.933 1.00 32.13 H new ATOM 0 HB3 ASP A 49 11.873 -10.041 -26.926 1.00 32.13 H new ATOM 614 N THR A 50 8.840 -9.520 -25.428 1.00 23.02 N ATOM 615 CA THR A 50 7.549 -9.103 -25.960 1.00 45.24 C ATOM 616 C THR A 50 6.559 -8.813 -24.838 1.00 44.02 C ATOM 617 O THR A 50 5.552 -9.506 -24.690 1.00 0.22 O ATOM 618 CB THR A 50 6.953 -10.175 -26.892 1.00 10.03 C ATOM 619 OG1 THR A 50 7.250 -11.482 -26.388 1.00 3.12 O ATOM 620 CG2 THR A 50 7.503 -10.033 -28.303 1.00 1.32 C ATOM 0 H THR A 50 8.821 -10.404 -24.920 1.00 23.02 H new ATOM 0 HA THR A 50 7.722 -8.191 -26.531 1.00 45.24 H new ATOM 0 HB THR A 50 5.872 -10.035 -26.925 1.00 10.03 H new ATOM 0 HG1 THR A 50 6.866 -12.158 -26.985 1.00 3.12 H new ATOM 0 HG21 THR A 50 7.067 -10.801 -28.942 1.00 1.32 H new ATOM 0 HG22 THR A 50 7.250 -9.048 -28.695 1.00 1.32 H new ATOM 0 HG23 THR A 50 8.587 -10.148 -28.284 1.00 1.32 H new ATOM 628 N THR A 51 6.851 -7.784 -24.049 1.00 1.32 N ATOM 629 CA THR A 51 5.987 -7.402 -22.939 1.00 75.33 C ATOM 630 C THR A 51 5.909 -5.886 -22.799 1.00 34.41 C ATOM 631 O THR A 51 6.907 -5.186 -22.967 1.00 0.13 O ATOM 632 CB THR A 51 6.479 -8.005 -21.610 1.00 44.12 C ATOM 633 OG1 THR A 51 5.451 -7.911 -20.618 1.00 72.04 O ATOM 634 CG2 THR A 51 7.729 -7.288 -21.121 1.00 61.25 C ATOM 0 H THR A 51 7.680 -7.200 -24.158 1.00 1.32 H new ATOM 0 HA THR A 51 4.995 -7.795 -23.162 1.00 75.33 H new ATOM 0 HB THR A 51 6.723 -9.053 -21.781 1.00 44.12 H new ATOM 0 HG1 THR A 51 5.841 -8.047 -19.729 1.00 72.04 H new ATOM 0 HG21 THR A 51 8.058 -7.731 -20.181 1.00 61.25 H new ATOM 0 HG22 THR A 51 8.519 -7.386 -21.865 1.00 61.25 H new ATOM 0 HG23 THR A 51 7.506 -6.232 -20.966 1.00 61.25 H new ATOM 642 N ARG A 52 4.717 -5.386 -22.490 1.00 11.14 N ATOM 643 CA ARG A 52 4.509 -3.952 -22.327 1.00 63.01 C ATOM 644 C ARG A 52 3.616 -3.665 -21.124 1.00 12.01 C ATOM 645 O ARG A 52 2.955 -4.563 -20.599 1.00 44.31 O ATOM 646 CB ARG A 52 3.886 -3.359 -23.592 1.00 12.22 C ATOM 647 CG ARG A 52 4.751 -2.303 -24.260 1.00 10.54 C ATOM 648 CD ARG A 52 4.819 -2.508 -25.765 1.00 31.22 C ATOM 649 NE ARG A 52 6.006 -3.261 -26.161 1.00 72.23 N ATOM 650 CZ ARG A 52 7.242 -2.780 -26.082 1.00 75.44 C ATOM 651 NH1 ARG A 52 7.451 -1.554 -25.624 1.00 23.23 N ATOM 652 NH2 ARG A 52 8.271 -3.527 -26.463 1.00 13.25 N ATOM 0 H ARG A 52 3.881 -5.952 -22.348 1.00 11.14 H new ATOM 0 HA ARG A 52 5.480 -3.487 -22.156 1.00 63.01 H new ATOM 0 HB2 ARG A 52 3.694 -4.162 -24.303 1.00 12.22 H new ATOM 0 HB3 ARG A 52 2.921 -2.920 -23.340 1.00 12.22 H new ATOM 0 HG2 ARG A 52 4.349 -1.313 -24.045 1.00 10.54 H new ATOM 0 HG3 ARG A 52 5.757 -2.337 -23.841 1.00 10.54 H new ATOM 0 HD2 ARG A 52 3.926 -3.036 -26.100 1.00 31.22 H new ATOM 0 HD3 ARG A 52 4.822 -1.539 -26.263 1.00 31.22 H new ATOM 0 HE ARG A 52 5.879 -4.208 -26.518 1.00 72.23 H new ATOM 0 HH11 ARG A 52 6.662 -0.978 -25.331 1.00 23.23 H new ATOM 0 HH12 ARG A 52 8.401 -1.187 -25.564 1.00 23.23 H new ATOM 0 HH21 ARG A 52 8.113 -4.471 -26.817 1.00 13.25 H new ATOM 0 HH22 ARG A 52 9.220 -3.157 -26.402 1.00 13.25 H new ATOM 666 N LEU A 53 3.600 -2.409 -20.691 1.00 65.13 N ATOM 667 CA LEU A 53 2.789 -2.003 -19.549 1.00 75.14 C ATOM 668 C LEU A 53 2.299 -0.568 -19.712 1.00 41.41 C ATOM 669 O LEU A 53 3.082 0.339 -19.998 1.00 23.12 O ATOM 670 CB LEU A 53 3.592 -2.136 -18.254 1.00 73.43 C ATOM 671 CG LEU A 53 2.775 -2.299 -16.972 1.00 21.12 C ATOM 672 CD1 LEU A 53 1.940 -1.056 -16.710 1.00 13.34 C ATOM 673 CD2 LEU A 53 1.887 -3.532 -17.058 1.00 23.03 C ATOM 0 H LEU A 53 4.140 -1.654 -21.114 1.00 65.13 H new ATOM 0 HA LEU A 53 1.921 -2.660 -19.500 1.00 75.14 H new ATOM 0 HB2 LEU A 53 4.257 -2.994 -18.349 1.00 73.43 H new ATOM 0 HB3 LEU A 53 4.223 -1.254 -18.149 1.00 73.43 H new ATOM 0 HG LEU A 53 3.465 -2.431 -16.139 1.00 21.12 H new ATOM 0 HD11 LEU A 53 1.365 -1.190 -15.794 1.00 13.34 H new ATOM 0 HD12 LEU A 53 2.597 -0.192 -16.603 1.00 13.34 H new ATOM 0 HD13 LEU A 53 1.259 -0.893 -17.545 1.00 13.34 H new ATOM 0 HD21 LEU A 53 1.313 -3.632 -16.137 1.00 23.03 H new ATOM 0 HD22 LEU A 53 1.204 -3.431 -17.902 1.00 23.03 H new ATOM 0 HD23 LEU A 53 2.507 -4.418 -17.197 1.00 23.03 H new ATOM 685 N THR A 54 0.998 -0.367 -19.526 1.00 41.44 N ATOM 686 CA THR A 54 0.404 0.958 -19.651 1.00 52.34 C ATOM 687 C THR A 54 -0.410 1.315 -18.413 1.00 20.03 C ATOM 688 O THR A 54 -1.064 0.457 -17.820 1.00 33.03 O ATOM 689 CB THR A 54 -0.504 1.052 -20.892 1.00 44.15 C ATOM 690 OG1 THR A 54 -1.260 -0.155 -21.038 1.00 54.34 O ATOM 691 CG2 THR A 54 0.320 1.295 -22.148 1.00 42.01 C ATOM 0 H THR A 54 0.336 -1.105 -19.288 1.00 41.44 H new ATOM 0 HA THR A 54 1.228 1.664 -19.757 1.00 52.34 H new ATOM 0 HB THR A 54 -1.185 1.892 -20.754 1.00 44.15 H new ATOM 0 HG1 THR A 54 -1.836 -0.087 -21.828 1.00 54.34 H new ATOM 0 HG21 THR A 54 -0.342 1.358 -23.011 1.00 42.01 H new ATOM 0 HG22 THR A 54 0.872 2.229 -22.046 1.00 42.01 H new ATOM 0 HG23 THR A 54 1.021 0.472 -22.288 1.00 42.01 H new ATOM 699 N TYR A 55 -0.366 2.585 -18.027 1.00 43.33 N ATOM 700 CA TYR A 55 -1.098 3.055 -16.857 1.00 51.13 C ATOM 701 C TYR A 55 -1.985 4.245 -17.211 1.00 71.23 C ATOM 702 O TYR A 55 -1.523 5.230 -17.788 1.00 31.33 O ATOM 703 CB TYR A 55 -0.125 3.444 -15.743 1.00 33.32 C ATOM 704 CG TYR A 55 -0.789 4.137 -14.574 1.00 41.04 C ATOM 705 CD1 TYR A 55 -1.945 3.622 -14.002 1.00 14.14 C ATOM 706 CD2 TYR A 55 -0.260 5.307 -14.044 1.00 13.31 C ATOM 707 CE1 TYR A 55 -2.556 4.252 -12.934 1.00 43.34 C ATOM 708 CE2 TYR A 55 -0.863 5.943 -12.976 1.00 0.40 C ATOM 709 CZ TYR A 55 -2.010 5.412 -12.425 1.00 14.31 C ATOM 710 OH TYR A 55 -2.615 6.044 -11.362 1.00 24.20 O ATOM 0 H TYR A 55 0.169 3.308 -18.508 1.00 43.33 H new ATOM 0 HA TYR A 55 -1.734 2.242 -16.507 1.00 51.13 H new ATOM 0 HB2 TYR A 55 0.380 2.547 -15.384 1.00 33.32 H new ATOM 0 HB3 TYR A 55 0.643 4.099 -16.155 1.00 33.32 H new ATOM 0 HD1 TYR A 55 -2.374 2.714 -14.398 1.00 14.14 H new ATOM 0 HD2 TYR A 55 0.638 5.726 -14.474 1.00 13.31 H new ATOM 0 HE1 TYR A 55 -3.455 3.839 -12.501 1.00 43.34 H new ATOM 0 HE2 TYR A 55 -0.438 6.851 -12.575 1.00 0.40 H new ATOM 0 HH TYR A 55 -3.439 5.569 -11.125 1.00 24.20 H new ATOM 720 N LYS A 56 -3.263 4.146 -16.861 1.00 51.33 N ATOM 721 CA LYS A 56 -4.217 5.213 -17.139 1.00 13.32 C ATOM 722 C LYS A 56 -4.224 5.565 -18.623 1.00 62.00 C ATOM 723 O LYS A 56 -4.383 6.727 -18.995 1.00 24.21 O ATOM 724 CB LYS A 56 -3.880 6.455 -16.311 1.00 1.40 C ATOM 725 CG LYS A 56 -5.073 7.360 -16.058 1.00 12.23 C ATOM 726 CD LYS A 56 -5.759 7.024 -14.744 1.00 2.30 C ATOM 727 CE LYS A 56 -7.236 6.726 -14.947 1.00 34.13 C ATOM 728 NZ LYS A 56 -7.818 5.991 -13.790 1.00 23.44 N ATOM 0 H LYS A 56 -3.662 3.337 -16.384 1.00 51.33 H new ATOM 0 HA LYS A 56 -5.210 4.858 -16.864 1.00 13.32 H new ATOM 0 HB2 LYS A 56 -3.463 6.141 -15.354 1.00 1.40 H new ATOM 0 HB3 LYS A 56 -3.105 7.024 -16.825 1.00 1.40 H new ATOM 0 HG2 LYS A 56 -4.746 8.400 -16.043 1.00 12.23 H new ATOM 0 HG3 LYS A 56 -5.786 7.262 -16.877 1.00 12.23 H new ATOM 0 HD2 LYS A 56 -5.272 6.162 -14.288 1.00 2.30 H new ATOM 0 HD3 LYS A 56 -5.647 7.857 -14.050 1.00 2.30 H new ATOM 0 HE2 LYS A 56 -7.778 7.660 -15.094 1.00 34.13 H new ATOM 0 HE3 LYS A 56 -7.366 6.136 -15.854 1.00 34.13 H new ATOM 0 HZ1 LYS A 56 -8.826 5.807 -13.967 1.00 23.44 H new ATOM 0 HZ2 LYS A 56 -7.318 5.088 -13.665 1.00 23.44 H new ATOM 0 HZ3 LYS A 56 -7.717 6.564 -12.928 1.00 23.44 H new ATOM 742 N GLY A 57 -4.051 4.552 -19.468 1.00 15.45 N ATOM 743 CA GLY A 57 -4.042 4.776 -20.901 1.00 72.34 C ATOM 744 C GLY A 57 -2.793 5.497 -21.368 1.00 32.21 C ATOM 745 O GLY A 57 -2.740 5.997 -22.491 1.00 53.15 O ATOM 0 H GLY A 57 -3.917 3.581 -19.185 1.00 15.45 H new ATOM 0 HA2 GLY A 57 -4.119 3.818 -21.416 1.00 72.34 H new ATOM 0 HA3 GLY A 57 -4.920 5.359 -21.180 1.00 72.34 H new ATOM 749 N ARG A 58 -1.786 5.552 -20.503 1.00 2.23 N ATOM 750 CA ARG A 58 -0.532 6.220 -20.831 1.00 54.23 C ATOM 751 C ARG A 58 0.619 5.221 -20.883 1.00 23.53 C ATOM 752 O ARG A 58 0.622 4.224 -20.161 1.00 33.11 O ATOM 753 CB ARG A 58 -0.228 7.313 -19.805 1.00 62.00 C ATOM 754 CG ARG A 58 0.088 8.663 -20.428 1.00 63.22 C ATOM 755 CD ARG A 58 -1.158 9.315 -21.007 1.00 23.22 C ATOM 756 NE ARG A 58 -0.970 9.714 -22.399 1.00 73.11 N ATOM 757 CZ ARG A 58 -1.929 10.251 -23.145 1.00 11.41 C ATOM 758 NH1 ARG A 58 -3.136 10.453 -22.634 1.00 50.35 N ATOM 759 NH2 ARG A 58 -1.681 10.589 -24.404 1.00 74.41 N ATOM 0 H ARG A 58 -1.814 5.142 -19.569 1.00 2.23 H new ATOM 0 HA ARG A 58 -0.639 6.676 -21.815 1.00 54.23 H new ATOM 0 HB2 ARG A 58 -1.083 7.421 -19.138 1.00 62.00 H new ATOM 0 HB3 ARG A 58 0.617 6.999 -19.192 1.00 62.00 H new ATOM 0 HG2 ARG A 58 0.527 9.318 -19.676 1.00 63.22 H new ATOM 0 HG3 ARG A 58 0.833 8.537 -21.214 1.00 63.22 H new ATOM 0 HD2 ARG A 58 -1.995 8.621 -20.939 1.00 23.22 H new ATOM 0 HD3 ARG A 58 -1.420 10.190 -20.411 1.00 23.22 H new ATOM 0 HE ARG A 58 -0.052 9.573 -22.821 1.00 73.11 H new ATOM 0 HH11 ARG A 58 -3.330 10.196 -21.666 1.00 50.35 H new ATOM 0 HH12 ARG A 58 -3.871 10.866 -23.209 1.00 50.35 H new ATOM 0 HH21 ARG A 58 -0.753 10.437 -24.800 1.00 74.41 H new ATOM 0 HH22 ARG A 58 -2.418 11.001 -24.976 1.00 74.41 H new ATOM 773 N ALA A 59 1.596 5.494 -21.741 1.00 50.53 N ATOM 774 CA ALA A 59 2.754 4.620 -21.886 1.00 15.51 C ATOM 775 C ALA A 59 3.978 5.212 -21.196 1.00 51.51 C ATOM 776 O ALA A 59 4.443 6.295 -21.556 1.00 21.13 O ATOM 777 CB ALA A 59 3.045 4.369 -23.358 1.00 14.20 C ATOM 0 H ALA A 59 1.609 6.314 -22.347 1.00 50.53 H new ATOM 0 HA ALA A 59 2.523 3.669 -21.406 1.00 15.51 H new ATOM 0 HB1 ALA A 59 3.912 3.715 -23.451 1.00 14.20 H new ATOM 0 HB2 ALA A 59 2.181 3.895 -23.824 1.00 14.20 H new ATOM 0 HB3 ALA A 59 3.251 5.317 -23.855 1.00 14.20 H new ATOM 783 N LEU A 60 4.496 4.497 -20.204 1.00 15.24 N ATOM 784 CA LEU A 60 5.667 4.952 -19.462 1.00 54.43 C ATOM 785 C LEU A 60 6.821 3.967 -19.610 1.00 23.34 C ATOM 786 O LEU A 60 6.610 2.763 -19.755 1.00 74.42 O ATOM 787 CB LEU A 60 5.320 5.132 -17.983 1.00 42.32 C ATOM 788 CG LEU A 60 4.311 6.234 -17.660 1.00 13.25 C ATOM 789 CD1 LEU A 60 4.674 7.521 -18.385 1.00 30.33 C ATOM 790 CD2 LEU A 60 2.902 5.792 -18.028 1.00 30.13 C ATOM 0 H LEU A 60 4.124 3.599 -19.894 1.00 15.24 H new ATOM 0 HA LEU A 60 5.978 5.912 -19.874 1.00 54.43 H new ATOM 0 HB2 LEU A 60 4.930 4.187 -17.604 1.00 42.32 H new ATOM 0 HB3 LEU A 60 6.240 5.338 -17.437 1.00 42.32 H new ATOM 0 HG LEU A 60 4.342 6.425 -16.587 1.00 13.25 H new ATOM 0 HD11 LEU A 60 3.944 8.293 -18.143 1.00 30.33 H new ATOM 0 HD12 LEU A 60 5.666 7.848 -18.072 1.00 30.33 H new ATOM 0 HD13 LEU A 60 4.673 7.345 -19.461 1.00 30.33 H new ATOM 0 HD21 LEU A 60 2.197 6.589 -17.791 1.00 30.13 H new ATOM 0 HD22 LEU A 60 2.856 5.572 -19.095 1.00 30.13 H new ATOM 0 HD23 LEU A 60 2.642 4.897 -17.462 1.00 30.13 H new ATOM 802 N LYS A 61 8.044 4.485 -19.569 1.00 11.32 N ATOM 803 CA LYS A 61 9.234 3.652 -19.694 1.00 73.20 C ATOM 804 C LYS A 61 10.463 4.372 -19.149 1.00 14.23 C ATOM 805 O LYS A 61 10.926 4.081 -18.046 1.00 63.41 O ATOM 806 CB LYS A 61 9.462 3.269 -21.158 1.00 54.12 C ATOM 807 CG LYS A 61 10.780 2.555 -21.402 1.00 40.51 C ATOM 808 CD LYS A 61 10.573 1.232 -22.120 1.00 44.31 C ATOM 809 CE LYS A 61 9.983 1.437 -23.507 1.00 34.13 C ATOM 810 NZ LYS A 61 10.881 0.916 -24.575 1.00 15.35 N ATOM 0 H LYS A 61 8.237 5.479 -19.450 1.00 11.32 H new ATOM 0 HA LYS A 61 9.076 2.747 -19.108 1.00 73.20 H new ATOM 0 HB2 LYS A 61 8.645 2.628 -21.489 1.00 54.12 H new ATOM 0 HB3 LYS A 61 9.428 4.170 -21.770 1.00 54.12 H new ATOM 0 HG2 LYS A 61 11.436 3.193 -21.994 1.00 40.51 H new ATOM 0 HG3 LYS A 61 11.281 2.379 -20.450 1.00 40.51 H new ATOM 0 HD2 LYS A 61 11.526 0.709 -22.202 1.00 44.31 H new ATOM 0 HD3 LYS A 61 9.910 0.597 -21.532 1.00 44.31 H new ATOM 0 HE2 LYS A 61 9.017 0.936 -23.568 1.00 34.13 H new ATOM 0 HE3 LYS A 61 9.802 2.499 -23.671 1.00 34.13 H new ATOM 0 HZ1 LYS A 61 10.443 1.075 -25.505 1.00 15.35 H new ATOM 0 HZ2 LYS A 61 11.794 1.412 -24.533 1.00 15.35 H new ATOM 0 HZ3 LYS A 61 11.034 -0.103 -24.434 1.00 15.35 H new ATOM 824 N ASP A 62 10.984 5.314 -19.927 1.00 1.34 N ATOM 825 CA ASP A 62 12.158 6.078 -19.520 1.00 52.41 C ATOM 826 C ASP A 62 11.789 7.126 -18.474 1.00 52.04 C ATOM 827 O ASP A 62 12.658 7.800 -17.921 1.00 21.15 O ATOM 828 CB ASP A 62 12.798 6.754 -20.734 1.00 1.45 C ATOM 829 CG ASP A 62 14.306 6.595 -20.757 1.00 35.13 C ATOM 830 OD1 ASP A 62 14.794 5.515 -20.363 1.00 64.01 O ATOM 831 OD2 ASP A 62 14.996 7.550 -21.169 1.00 64.31 O ATOM 0 H ASP A 62 10.612 5.567 -20.843 1.00 1.34 H new ATOM 0 HA ASP A 62 12.876 5.387 -19.078 1.00 52.41 H new ATOM 0 HB2 ASP A 62 12.377 6.331 -21.646 1.00 1.45 H new ATOM 0 HB3 ASP A 62 12.547 7.815 -20.730 1.00 1.45 H new ATOM 836 N THR A 63 10.493 7.259 -18.209 1.00 51.31 N ATOM 837 CA THR A 63 10.008 8.226 -17.232 1.00 42.01 C ATOM 838 C THR A 63 10.592 7.952 -15.851 1.00 22.11 C ATOM 839 O THR A 63 10.592 8.824 -14.983 1.00 53.32 O ATOM 840 CB THR A 63 8.471 8.209 -17.140 1.00 33.44 C ATOM 841 OG1 THR A 63 7.901 8.199 -18.453 1.00 50.22 O ATOM 842 CG2 THR A 63 7.961 9.417 -16.369 1.00 43.30 C ATOM 0 H THR A 63 9.760 6.709 -18.658 1.00 51.31 H new ATOM 0 HA THR A 63 10.333 9.209 -17.572 1.00 42.01 H new ATOM 0 HB THR A 63 8.172 7.306 -16.608 1.00 33.44 H new ATOM 0 HG1 THR A 63 7.635 7.285 -18.687 1.00 50.22 H new ATOM 0 HG21 THR A 63 6.873 9.383 -16.317 1.00 43.30 H new ATOM 0 HG22 THR A 63 8.373 9.405 -15.360 1.00 43.30 H new ATOM 0 HG23 THR A 63 8.272 10.330 -16.877 1.00 43.30 H new ATOM 850 N GLU A 64 11.090 6.735 -15.655 1.00 2.12 N ATOM 851 CA GLU A 64 11.677 6.347 -14.378 1.00 4.44 C ATOM 852 C GLU A 64 10.619 6.320 -13.278 1.00 44.33 C ATOM 853 O GLU A 64 10.122 5.257 -12.905 1.00 53.50 O ATOM 854 CB GLU A 64 12.802 7.312 -13.995 1.00 21.45 C ATOM 855 CG GLU A 64 14.192 6.719 -14.152 1.00 22.41 C ATOM 856 CD GLU A 64 15.282 7.773 -14.129 1.00 21.54 C ATOM 857 OE1 GLU A 64 15.238 8.689 -14.976 1.00 4.11 O ATOM 858 OE2 GLU A 64 16.178 7.681 -13.264 1.00 44.01 O ATOM 0 H GLU A 64 11.099 6.002 -16.364 1.00 2.12 H new ATOM 0 HA GLU A 64 12.089 5.344 -14.486 1.00 4.44 H new ATOM 0 HB2 GLU A 64 12.727 8.208 -14.611 1.00 21.45 H new ATOM 0 HB3 GLU A 64 12.664 7.625 -12.960 1.00 21.45 H new ATOM 0 HG2 GLU A 64 14.369 6.001 -13.351 1.00 22.41 H new ATOM 0 HG3 GLU A 64 14.244 6.168 -15.091 1.00 22.41 H new ATOM 865 N THR A 65 10.280 7.498 -12.762 1.00 61.33 N ATOM 866 CA THR A 65 9.283 7.610 -11.705 1.00 44.10 C ATOM 867 C THR A 65 7.910 7.942 -12.277 1.00 71.42 C ATOM 868 O THR A 65 7.798 8.466 -13.386 1.00 0.41 O ATOM 869 CB THR A 65 9.673 8.690 -10.678 1.00 23.21 C ATOM 870 OG1 THR A 65 8.620 8.860 -9.723 1.00 2.42 O ATOM 871 CG2 THR A 65 9.959 10.015 -11.368 1.00 14.21 C ATOM 0 H THR A 65 10.681 8.387 -13.059 1.00 61.33 H new ATOM 0 HA THR A 65 9.241 6.642 -11.206 1.00 44.10 H new ATOM 0 HB THR A 65 10.578 8.364 -10.166 1.00 23.21 H new ATOM 0 HG1 THR A 65 8.876 9.547 -9.073 1.00 2.42 H new ATOM 0 HG21 THR A 65 10.232 10.762 -10.623 1.00 14.21 H new ATOM 0 HG22 THR A 65 10.781 9.888 -12.073 1.00 14.21 H new ATOM 0 HG23 THR A 65 9.069 10.346 -11.904 1.00 14.21 H new ATOM 879 N LEU A 66 6.867 7.633 -11.515 1.00 14.11 N ATOM 880 CA LEU A 66 5.499 7.899 -11.946 1.00 53.32 C ATOM 881 C LEU A 66 4.839 8.943 -11.051 1.00 33.25 C ATOM 882 O LEU A 66 3.794 9.496 -11.392 1.00 60.13 O ATOM 883 CB LEU A 66 4.679 6.608 -11.934 1.00 13.02 C ATOM 884 CG LEU A 66 3.794 6.363 -13.157 1.00 23.21 C ATOM 885 CD1 LEU A 66 3.708 4.876 -13.464 1.00 21.23 C ATOM 886 CD2 LEU A 66 2.406 6.945 -12.936 1.00 52.24 C ATOM 0 H LEU A 66 6.942 7.198 -10.595 1.00 14.11 H new ATOM 0 HA LEU A 66 5.534 8.290 -12.963 1.00 53.32 H new ATOM 0 HB2 LEU A 66 5.365 5.767 -11.832 1.00 13.02 H new ATOM 0 HB3 LEU A 66 4.045 6.612 -11.047 1.00 13.02 H new ATOM 0 HG LEU A 66 4.244 6.865 -14.014 1.00 23.21 H new ATOM 0 HD11 LEU A 66 3.074 4.721 -14.337 1.00 21.23 H new ATOM 0 HD12 LEU A 66 4.706 4.488 -13.667 1.00 21.23 H new ATOM 0 HD13 LEU A 66 3.282 4.352 -12.609 1.00 21.23 H new ATOM 0 HD21 LEU A 66 1.790 6.761 -13.816 1.00 52.24 H new ATOM 0 HD22 LEU A 66 1.947 6.473 -12.067 1.00 52.24 H new ATOM 0 HD23 LEU A 66 2.485 8.019 -12.766 1.00 52.24 H new ATOM 898 N GLU A 67 5.457 9.208 -9.904 1.00 63.30 N ATOM 899 CA GLU A 67 4.930 10.186 -8.960 1.00 53.35 C ATOM 900 C GLU A 67 4.796 11.557 -9.617 1.00 11.54 C ATOM 901 O GLU A 67 3.893 12.328 -9.290 1.00 44.31 O ATOM 902 CB GLU A 67 5.836 10.283 -7.732 1.00 1.04 C ATOM 903 CG GLU A 67 5.120 10.770 -6.483 1.00 55.35 C ATOM 904 CD GLU A 67 6.059 10.961 -5.308 1.00 72.14 C ATOM 905 OE1 GLU A 67 6.973 11.805 -5.410 1.00 23.11 O ATOM 906 OE2 GLU A 67 5.878 10.265 -4.287 1.00 4.53 O ATOM 0 H GLU A 67 6.323 8.759 -9.606 1.00 63.30 H new ATOM 0 HA GLU A 67 3.941 9.854 -8.646 1.00 53.35 H new ATOM 0 HB2 GLU A 67 6.270 9.303 -7.533 1.00 1.04 H new ATOM 0 HB3 GLU A 67 6.662 10.958 -7.953 1.00 1.04 H new ATOM 0 HG2 GLU A 67 4.620 11.714 -6.700 1.00 55.35 H new ATOM 0 HG3 GLU A 67 4.345 10.054 -6.211 1.00 55.35 H new ATOM 913 N SER A 68 5.701 11.854 -10.543 1.00 44.53 N ATOM 914 CA SER A 68 5.688 13.134 -11.243 1.00 21.13 C ATOM 915 C SER A 68 4.430 13.274 -12.095 1.00 3.12 C ATOM 916 O SER A 68 4.053 14.378 -12.489 1.00 43.43 O ATOM 917 CB SER A 68 6.932 13.271 -12.123 1.00 31.02 C ATOM 918 OG SER A 68 7.701 14.400 -11.746 1.00 62.12 O ATOM 0 H SER A 68 6.453 11.226 -10.827 1.00 44.53 H new ATOM 0 HA SER A 68 5.691 13.928 -10.497 1.00 21.13 H new ATOM 0 HB2 SER A 68 7.540 12.370 -12.042 1.00 31.02 H new ATOM 0 HB3 SER A 68 6.634 13.362 -13.168 1.00 31.02 H new ATOM 0 HG SER A 68 8.491 14.465 -12.322 1.00 62.12 H new ATOM 924 N LEU A 69 3.785 12.147 -12.375 1.00 51.42 N ATOM 925 CA LEU A 69 2.569 12.143 -13.181 1.00 34.52 C ATOM 926 C LEU A 69 1.329 12.065 -12.295 1.00 62.41 C ATOM 927 O LEU A 69 0.212 12.309 -12.750 1.00 25.42 O ATOM 928 CB LEU A 69 2.586 10.966 -14.158 1.00 54.14 C ATOM 929 CG LEU A 69 3.946 10.612 -14.759 1.00 45.32 C ATOM 930 CD1 LEU A 69 3.810 9.470 -15.753 1.00 62.44 C ATOM 931 CD2 LEU A 69 4.568 11.831 -15.426 1.00 61.31 C ATOM 0 H LEU A 69 4.083 11.225 -12.056 1.00 51.42 H new ATOM 0 HA LEU A 69 2.532 13.075 -13.745 1.00 34.52 H new ATOM 0 HB2 LEU A 69 2.199 10.087 -13.643 1.00 54.14 H new ATOM 0 HB3 LEU A 69 1.897 11.187 -14.973 1.00 54.14 H new ATOM 0 HG LEU A 69 4.604 10.288 -13.953 1.00 45.32 H new ATOM 0 HD11 LEU A 69 4.789 9.232 -16.170 1.00 62.44 H new ATOM 0 HD12 LEU A 69 3.409 8.592 -15.246 1.00 62.44 H new ATOM 0 HD13 LEU A 69 3.135 9.765 -16.556 1.00 62.44 H new ATOM 0 HD21 LEU A 69 5.536 11.561 -15.848 1.00 61.31 H new ATOM 0 HD22 LEU A 69 3.912 12.186 -16.221 1.00 61.31 H new ATOM 0 HD23 LEU A 69 4.703 12.621 -14.687 1.00 61.31 H new ATOM 943 N GLY A 70 1.535 11.725 -11.026 1.00 61.42 N ATOM 944 CA GLY A 70 0.426 11.623 -10.096 1.00 73.11 C ATOM 945 C GLY A 70 0.024 10.186 -9.828 1.00 52.10 C ATOM 946 O GLY A 70 -1.130 9.808 -10.032 1.00 10.24 O ATOM 0 H GLY A 70 2.450 11.518 -10.626 1.00 61.42 H new ATOM 0 HA2 GLY A 70 0.699 12.102 -9.156 1.00 73.11 H new ATOM 0 HA3 GLY A 70 -0.430 12.168 -10.495 1.00 73.11 H new ATOM 950 N VAL A 71 0.978 9.382 -9.371 1.00 63.43 N ATOM 951 CA VAL A 71 0.718 7.978 -9.076 1.00 22.25 C ATOM 952 C VAL A 71 0.308 7.790 -7.619 1.00 62.22 C ATOM 953 O VAL A 71 0.842 8.444 -6.724 1.00 52.41 O ATOM 954 CB VAL A 71 1.953 7.105 -9.366 1.00 63.35 C ATOM 955 CG1 VAL A 71 3.073 7.420 -8.387 1.00 3.41 C ATOM 956 CG2 VAL A 71 1.587 5.629 -9.313 1.00 11.33 C ATOM 0 H VAL A 71 1.938 9.679 -9.197 1.00 63.43 H new ATOM 0 HA VAL A 71 -0.100 7.664 -9.725 1.00 22.25 H new ATOM 0 HB VAL A 71 2.308 7.332 -10.371 1.00 63.35 H new ATOM 0 HG11 VAL A 71 3.937 6.793 -8.608 1.00 3.41 H new ATOM 0 HG12 VAL A 71 3.353 8.469 -8.480 1.00 3.41 H new ATOM 0 HG13 VAL A 71 2.733 7.224 -7.370 1.00 3.41 H new ATOM 0 HG21 VAL A 71 2.472 5.027 -9.520 1.00 11.33 H new ATOM 0 HG22 VAL A 71 1.206 5.384 -8.322 1.00 11.33 H new ATOM 0 HG23 VAL A 71 0.821 5.417 -10.059 1.00 11.33 H new ATOM 966 N ALA A 72 -0.643 6.890 -7.389 1.00 41.54 N ATOM 967 CA ALA A 72 -1.123 6.614 -6.041 1.00 71.02 C ATOM 968 C ALA A 72 -1.146 5.115 -5.763 1.00 71.23 C ATOM 969 O ALA A 72 -1.349 4.309 -6.671 1.00 71.53 O ATOM 970 CB ALA A 72 -2.508 7.211 -5.842 1.00 12.05 C ATOM 0 H ALA A 72 -1.096 6.340 -8.119 1.00 41.54 H new ATOM 0 HA ALA A 72 -0.435 7.077 -5.334 1.00 71.02 H new ATOM 0 HB1 ALA A 72 -2.854 6.997 -4.831 1.00 12.05 H new ATOM 0 HB2 ALA A 72 -2.464 8.290 -5.990 1.00 12.05 H new ATOM 0 HB3 ALA A 72 -3.200 6.774 -6.562 1.00 12.05 H new ATOM 976 N ASP A 73 -0.936 4.748 -4.504 1.00 11.11 N ATOM 977 CA ASP A 73 -0.933 3.345 -4.106 1.00 52.04 C ATOM 978 C ASP A 73 -2.266 2.683 -4.440 1.00 72.24 C ATOM 979 O ASP A 73 -3.316 3.322 -4.399 1.00 13.33 O ATOM 980 CB ASP A 73 -0.647 3.218 -2.609 1.00 71.43 C ATOM 981 CG ASP A 73 -1.055 1.867 -2.055 1.00 22.30 C ATOM 982 OD1 ASP A 73 -0.605 0.840 -2.605 1.00 31.11 O ATOM 983 OD2 ASP A 73 -1.824 1.836 -1.072 1.00 14.24 O ATOM 0 H ASP A 73 -0.765 5.403 -3.741 1.00 11.11 H new ATOM 0 HA ASP A 73 -0.146 2.836 -4.662 1.00 52.04 H new ATOM 0 HB2 ASP A 73 0.417 3.374 -2.431 1.00 71.43 H new ATOM 0 HB3 ASP A 73 -1.179 4.003 -2.072 1.00 71.43 H new ATOM 988 N GLY A 74 -2.216 1.396 -4.773 1.00 44.40 N ATOM 989 CA GLY A 74 -3.425 0.669 -5.111 1.00 12.24 C ATOM 990 C GLY A 74 -3.854 0.892 -6.547 1.00 42.24 C ATOM 991 O GLY A 74 -5.008 0.652 -6.902 1.00 40.34 O ATOM 0 H GLY A 74 -1.359 0.844 -4.814 1.00 44.40 H new ATOM 0 HA2 GLY A 74 -3.263 -0.396 -4.945 1.00 12.24 H new ATOM 0 HA3 GLY A 74 -4.229 0.977 -4.443 1.00 12.24 H new ATOM 995 N ASP A 75 -2.923 1.354 -7.376 1.00 34.24 N ATOM 996 CA ASP A 75 -3.211 1.610 -8.782 1.00 50.12 C ATOM 997 C ASP A 75 -3.260 0.307 -9.573 1.00 35.40 C ATOM 998 O ASP A 75 -2.694 -0.705 -9.160 1.00 24.24 O ATOM 999 CB ASP A 75 -2.156 2.543 -9.379 1.00 11.34 C ATOM 1000 CG ASP A 75 -2.635 3.979 -9.464 1.00 1.24 C ATOM 1001 OD1 ASP A 75 -3.809 4.193 -9.833 1.00 20.34 O ATOM 1002 OD2 ASP A 75 -1.836 4.889 -9.160 1.00 41.53 O ATOM 0 H ASP A 75 -1.963 1.559 -7.098 1.00 34.24 H new ATOM 0 HA ASP A 75 -4.188 2.090 -8.845 1.00 50.12 H new ATOM 0 HB2 ASP A 75 -1.252 2.500 -8.772 1.00 11.34 H new ATOM 0 HB3 ASP A 75 -1.888 2.193 -10.376 1.00 11.34 H new ATOM 1007 N LYS A 76 -3.943 0.337 -10.713 1.00 11.45 N ATOM 1008 CA LYS A 76 -4.068 -0.841 -11.563 1.00 4.44 C ATOM 1009 C LYS A 76 -3.234 -0.687 -12.831 1.00 14.20 C ATOM 1010 O LYS A 76 -3.331 0.322 -13.530 1.00 62.24 O ATOM 1011 CB LYS A 76 -5.534 -1.078 -11.929 1.00 34.01 C ATOM 1012 CG LYS A 76 -6.482 -0.972 -10.746 1.00 45.53 C ATOM 1013 CD LYS A 76 -7.854 -1.531 -11.079 1.00 73.41 C ATOM 1014 CE LYS A 76 -8.169 -2.766 -10.249 1.00 30.15 C ATOM 1015 NZ LYS A 76 -9.068 -3.707 -10.972 1.00 72.12 N ATOM 0 H LYS A 76 -4.419 1.166 -11.070 1.00 11.45 H new ATOM 0 HA LYS A 76 -3.696 -1.701 -11.007 1.00 4.44 H new ATOM 0 HB2 LYS A 76 -5.832 -0.355 -12.688 1.00 34.01 H new ATOM 0 HB3 LYS A 76 -5.633 -2.067 -12.375 1.00 34.01 H new ATOM 0 HG2 LYS A 76 -6.065 -1.511 -9.895 1.00 45.53 H new ATOM 0 HG3 LYS A 76 -6.576 0.072 -10.447 1.00 45.53 H new ATOM 0 HD2 LYS A 76 -8.612 -0.768 -10.900 1.00 73.41 H new ATOM 0 HD3 LYS A 76 -7.898 -1.782 -12.139 1.00 73.41 H new ATOM 0 HE2 LYS A 76 -7.241 -3.276 -9.991 1.00 30.15 H new ATOM 0 HE3 LYS A 76 -8.637 -2.464 -9.312 1.00 30.15 H new ATOM 0 HZ1 LYS A 76 -9.258 -4.535 -10.372 1.00 72.12 H new ATOM 0 HZ2 LYS A 76 -9.964 -3.228 -11.196 1.00 72.12 H new ATOM 0 HZ3 LYS A 76 -8.611 -4.016 -11.854 1.00 72.12 H new ATOM 1029 N PHE A 77 -2.418 -1.694 -13.123 1.00 5.44 N ATOM 1030 CA PHE A 77 -1.568 -1.670 -14.308 1.00 22.15 C ATOM 1031 C PHE A 77 -2.003 -2.735 -15.310 1.00 53.43 C ATOM 1032 O PHE A 77 -2.339 -3.858 -14.934 1.00 54.41 O ATOM 1033 CB PHE A 77 -0.105 -1.890 -13.916 1.00 41.25 C ATOM 1034 CG PHE A 77 0.498 -0.730 -13.177 1.00 24.24 C ATOM 1035 CD1 PHE A 77 0.470 0.545 -13.718 1.00 72.34 C ATOM 1036 CD2 PHE A 77 1.094 -0.915 -11.939 1.00 75.01 C ATOM 1037 CE1 PHE A 77 1.025 1.613 -13.040 1.00 0.21 C ATOM 1038 CE2 PHE A 77 1.650 0.150 -11.256 1.00 20.23 C ATOM 1039 CZ PHE A 77 1.615 1.416 -11.807 1.00 33.24 C ATOM 0 H PHE A 77 -2.327 -2.537 -12.556 1.00 5.44 H new ATOM 0 HA PHE A 77 -1.668 -0.691 -14.778 1.00 22.15 H new ATOM 0 HB2 PHE A 77 -0.034 -2.783 -13.295 1.00 41.25 H new ATOM 0 HB3 PHE A 77 0.479 -2.081 -14.816 1.00 41.25 H new ATOM 0 HD1 PHE A 77 0.009 0.706 -14.681 1.00 72.34 H new ATOM 0 HD2 PHE A 77 1.124 -1.903 -11.503 1.00 75.01 H new ATOM 0 HE1 PHE A 77 0.998 2.602 -13.474 1.00 0.21 H new ATOM 0 HE2 PHE A 77 2.111 -0.008 -10.292 1.00 20.23 H new ATOM 0 HZ PHE A 77 2.048 2.250 -11.275 1.00 33.24 H new ATOM 1049 N VAL A 78 -1.995 -2.373 -16.589 1.00 53.34 N ATOM 1050 CA VAL A 78 -2.389 -3.296 -17.647 1.00 44.54 C ATOM 1051 C VAL A 78 -1.168 -3.879 -18.350 1.00 3.22 C ATOM 1052 O VAL A 78 -0.333 -3.145 -18.881 1.00 54.50 O ATOM 1053 CB VAL A 78 -3.286 -2.604 -18.691 1.00 3.51 C ATOM 1054 CG1 VAL A 78 -3.727 -3.594 -19.757 1.00 65.44 C ATOM 1055 CG2 VAL A 78 -4.489 -1.963 -18.017 1.00 13.52 C ATOM 0 H VAL A 78 -1.720 -1.447 -16.918 1.00 53.34 H new ATOM 0 HA VAL A 78 -2.951 -4.100 -17.172 1.00 44.54 H new ATOM 0 HB VAL A 78 -2.708 -1.818 -19.177 1.00 3.51 H new ATOM 0 HG11 VAL A 78 -4.360 -3.087 -20.485 1.00 65.44 H new ATOM 0 HG12 VAL A 78 -2.850 -4.002 -20.260 1.00 65.44 H new ATOM 0 HG13 VAL A 78 -4.288 -4.404 -19.291 1.00 65.44 H new ATOM 0 HG21 VAL A 78 -5.112 -1.479 -18.769 1.00 13.52 H new ATOM 0 HG22 VAL A 78 -5.070 -2.729 -17.504 1.00 13.52 H new ATOM 0 HG23 VAL A 78 -4.149 -1.221 -17.295 1.00 13.52 H new ATOM 1065 N LEU A 79 -1.069 -5.204 -18.349 1.00 43.55 N ATOM 1066 CA LEU A 79 0.051 -5.887 -18.988 1.00 31.24 C ATOM 1067 C LEU A 79 -0.379 -6.522 -20.307 1.00 2.35 C ATOM 1068 O LEU A 79 -1.385 -7.229 -20.367 1.00 41.15 O ATOM 1069 CB LEU A 79 0.619 -6.958 -18.055 1.00 31.14 C ATOM 1070 CG LEU A 79 1.922 -7.619 -18.506 1.00 11.12 C ATOM 1071 CD1 LEU A 79 3.122 -6.870 -17.946 1.00 74.32 C ATOM 1072 CD2 LEU A 79 1.955 -9.079 -18.078 1.00 63.04 C ATOM 0 H LEU A 79 -1.750 -5.826 -17.913 1.00 43.55 H new ATOM 0 HA LEU A 79 0.824 -5.148 -19.197 1.00 31.24 H new ATOM 0 HB2 LEU A 79 0.783 -6.508 -17.076 1.00 31.14 H new ATOM 0 HB3 LEU A 79 -0.134 -7.736 -17.926 1.00 31.14 H new ATOM 0 HG LEU A 79 1.970 -7.579 -19.594 1.00 11.12 H new ATOM 0 HD11 LEU A 79 4.040 -7.355 -18.277 1.00 74.32 H new ATOM 0 HD12 LEU A 79 3.106 -5.840 -18.302 1.00 74.32 H new ATOM 0 HD13 LEU A 79 3.080 -6.878 -16.857 1.00 74.32 H new ATOM 0 HD21 LEU A 79 2.889 -9.534 -18.407 1.00 63.04 H new ATOM 0 HD22 LEU A 79 1.884 -9.142 -16.992 1.00 63.04 H new ATOM 0 HD23 LEU A 79 1.115 -9.609 -18.528 1.00 63.04 H new ATOM 1084 N ILE A 80 0.391 -6.266 -21.359 1.00 1.42 N ATOM 1085 CA ILE A 80 0.092 -6.814 -22.675 1.00 74.44 C ATOM 1086 C ILE A 80 1.218 -7.719 -23.163 1.00 44.44 C ATOM 1087 O ILE A 80 2.391 -7.484 -22.868 1.00 33.13 O ATOM 1088 CB ILE A 80 -0.141 -5.698 -23.711 1.00 61.40 C ATOM 1089 CG1 ILE A 80 -0.700 -6.285 -25.009 1.00 34.24 C ATOM 1090 CG2 ILE A 80 1.154 -4.946 -23.979 1.00 21.13 C ATOM 1091 CD1 ILE A 80 -1.533 -5.305 -25.805 1.00 64.25 C ATOM 0 H ILE A 80 1.227 -5.682 -21.325 1.00 1.42 H new ATOM 0 HA ILE A 80 -0.822 -7.399 -22.572 1.00 74.44 H new ATOM 0 HB ILE A 80 -0.871 -4.995 -23.308 1.00 61.40 H new ATOM 0 HG12 ILE A 80 0.128 -6.632 -25.627 1.00 34.24 H new ATOM 0 HG13 ILE A 80 -1.308 -7.158 -24.771 1.00 34.24 H new ATOM 0 HG21 ILE A 80 0.973 -4.161 -24.713 1.00 21.13 H new ATOM 0 HG22 ILE A 80 1.514 -4.500 -23.052 1.00 21.13 H new ATOM 0 HG23 ILE A 80 1.903 -5.638 -24.364 1.00 21.13 H new ATOM 0 HD11 ILE A 80 -1.896 -5.789 -26.712 1.00 64.25 H new ATOM 0 HD12 ILE A 80 -2.381 -4.976 -25.204 1.00 64.25 H new ATOM 0 HD13 ILE A 80 -0.923 -4.443 -26.074 1.00 64.25 H new ATOM 1103 N THR A 81 0.856 -8.754 -23.915 1.00 0.30 N ATOM 1104 CA THR A 81 1.836 -9.693 -24.445 1.00 73.33 C ATOM 1105 C THR A 81 1.749 -9.779 -25.965 1.00 30.03 C ATOM 1106 O THR A 81 0.657 -9.826 -26.532 1.00 23.31 O ATOM 1107 CB THR A 81 1.643 -11.101 -23.851 1.00 74.32 C ATOM 1108 OG1 THR A 81 2.733 -11.948 -24.232 1.00 50.32 O ATOM 1109 CG2 THR A 81 0.331 -11.712 -24.322 1.00 63.21 C ATOM 0 H THR A 81 -0.109 -8.963 -24.170 1.00 0.30 H new ATOM 0 HA THR A 81 2.819 -9.318 -24.161 1.00 73.33 H new ATOM 0 HB THR A 81 1.615 -11.012 -22.765 1.00 74.32 H new ATOM 0 HG1 THR A 81 2.603 -12.841 -23.849 1.00 50.32 H new ATOM 0 HG21 THR A 81 0.217 -12.706 -23.890 1.00 63.21 H new ATOM 0 HG22 THR A 81 -0.499 -11.081 -24.005 1.00 63.21 H new ATOM 0 HG23 THR A 81 0.334 -11.787 -25.409 1.00 63.21 H new ATOM 1117 N ARG A 82 2.906 -9.799 -26.619 1.00 32.34 N ATOM 1118 CA ARG A 82 2.960 -9.879 -28.073 1.00 52.04 C ATOM 1119 C ARG A 82 3.082 -11.328 -28.534 1.00 72.53 C ATOM 1120 O ARG A 82 3.738 -12.145 -27.887 1.00 2.24 O ATOM 1121 CB ARG A 82 4.138 -9.062 -28.607 1.00 22.13 C ATOM 1122 CG ARG A 82 3.746 -8.052 -29.673 1.00 63.41 C ATOM 1123 CD ARG A 82 4.963 -7.329 -30.229 1.00 72.23 C ATOM 1124 NE ARG A 82 4.588 -6.222 -31.105 1.00 63.23 N ATOM 1125 CZ ARG A 82 5.460 -5.353 -31.605 1.00 70.54 C ATOM 1126 NH1 ARG A 82 6.750 -5.463 -31.318 1.00 34.12 N ATOM 1127 NH2 ARG A 82 5.042 -4.373 -32.395 1.00 41.35 N ATOM 0 H ARG A 82 3.818 -9.761 -26.164 1.00 32.34 H new ATOM 0 HA ARG A 82 2.032 -9.467 -28.469 1.00 52.04 H new ATOM 0 HB2 ARG A 82 4.610 -8.537 -27.777 1.00 22.13 H new ATOM 0 HB3 ARG A 82 4.883 -9.742 -29.019 1.00 22.13 H new ATOM 0 HG2 ARG A 82 3.222 -8.560 -30.482 1.00 63.41 H new ATOM 0 HG3 ARG A 82 3.052 -7.326 -29.250 1.00 63.41 H new ATOM 0 HD2 ARG A 82 5.568 -6.951 -29.405 1.00 72.23 H new ATOM 0 HD3 ARG A 82 5.583 -8.035 -30.782 1.00 72.23 H new ATOM 0 HE ARG A 82 3.603 -6.110 -31.346 1.00 63.23 H new ATOM 0 HH11 ARG A 82 7.075 -6.216 -30.712 1.00 34.12 H new ATOM 0 HH12 ARG A 82 7.417 -4.794 -31.703 1.00 34.12 H new ATOM 0 HH21 ARG A 82 4.051 -4.286 -32.619 1.00 41.35 H new ATOM 0 HH22 ARG A 82 5.712 -3.706 -32.779 1.00 41.35 H new