USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 SER OG : rot 15:sc= -2.44! USER MOD Set 1.2: A 75 THR OG1 : rot -73:sc= 1.2 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.379 USER MOD Set 2.2: A 67 SER OG : rot 34:sc= 0.495 USER MOD Set 3.1: A 63 GLN : amide:sc= -4.27 X(o=-5.5,f=-5.3!) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 12 MET CE :methyl 147:sc= -0.14 (180deg=-0.905) USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0699) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0631) USER MOD Single : A 38 GLN : amide:sc= -0.878 X(o=-0.88,f=-0.48) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0821) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -107:sc=-0.00165 (180deg=-0.0856) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.000208) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 84.224 0.331 -18.269 1.00 0.00 N ATOM 2 CA GLU A 8 83.290 -0.137 -19.339 1.00 0.00 C ATOM 3 C GLU A 8 82.574 -1.417 -18.894 1.00 0.00 C ATOM 4 O GLU A 8 83.152 -2.250 -18.218 1.00 0.00 O ATOM 5 CB GLU A 8 84.183 -0.415 -20.551 1.00 0.00 C ATOM 6 CG GLU A 8 83.313 -0.681 -21.782 1.00 0.00 C ATOM 7 CD GLU A 8 82.901 0.648 -22.420 1.00 0.00 C ATOM 8 OE1 GLU A 8 82.518 1.544 -21.686 1.00 0.00 O ATOM 9 OE2 GLU A 8 82.975 0.747 -23.634 1.00 0.00 O ATOM 0 HA GLU A 8 82.517 0.598 -19.563 1.00 0.00 H new ATOM 0 HB2 GLU A 8 84.839 0.436 -20.734 1.00 0.00 H new ATOM 0 HB3 GLU A 8 84.823 -1.275 -20.354 1.00 0.00 H new ATOM 0 HG2 GLU A 8 83.862 -1.287 -22.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 82.427 -1.249 -21.497 1.00 0.00 H new ATOM 16 N GLY A 9 81.323 -1.570 -19.272 1.00 0.00 N ATOM 17 CA GLY A 9 80.540 -2.790 -18.890 1.00 0.00 C ATOM 18 C GLY A 9 80.349 -2.849 -17.369 1.00 0.00 C ATOM 19 O GLY A 9 80.932 -3.688 -16.704 1.00 0.00 O ATOM 0 H GLY A 9 80.808 -0.893 -19.835 1.00 0.00 H new ATOM 0 HA2 GLY A 9 79.569 -2.776 -19.384 1.00 0.00 H new ATOM 0 HA3 GLY A 9 81.059 -3.685 -19.233 1.00 0.00 H new ATOM 23 N VAL A 10 79.540 -1.967 -16.822 1.00 0.00 N ATOM 24 CA VAL A 10 79.344 -1.912 -15.336 1.00 0.00 C ATOM 25 C VAL A 10 77.897 -1.494 -15.037 1.00 0.00 C ATOM 26 O VAL A 10 77.352 -0.622 -15.692 1.00 0.00 O ATOM 27 CB VAL A 10 80.349 -0.863 -14.814 1.00 0.00 C ATOM 28 CG1 VAL A 10 80.240 -0.738 -13.288 1.00 0.00 C ATOM 29 CG2 VAL A 10 81.782 -1.281 -15.163 1.00 0.00 C ATOM 0 H VAL A 10 79.003 -1.277 -17.348 1.00 0.00 H new ATOM 0 HA VAL A 10 79.513 -2.875 -14.854 1.00 0.00 H new ATOM 0 HB VAL A 10 80.116 0.092 -15.284 1.00 0.00 H new ATOM 0 HG11 VAL A 10 80.954 0.005 -12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 10 79.230 -0.429 -13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 10 80.459 -1.701 -12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 10 82.481 -0.532 -14.789 1.00 0.00 H new ATOM 0 HG22 VAL A 10 82.002 -2.245 -14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 10 81.884 -1.364 -16.245 1.00 0.00 H new ATOM 39 N ILE A 11 77.285 -2.113 -14.052 1.00 0.00 N ATOM 40 CA ILE A 11 75.869 -1.779 -13.693 1.00 0.00 C ATOM 41 C ILE A 11 75.840 -1.084 -12.324 1.00 0.00 C ATOM 42 O ILE A 11 76.305 -1.630 -11.338 1.00 0.00 O ATOM 43 CB ILE A 11 75.122 -3.132 -13.644 1.00 0.00 C ATOM 44 CG1 ILE A 11 75.228 -3.876 -14.996 1.00 0.00 C ATOM 45 CG2 ILE A 11 73.641 -2.912 -13.297 1.00 0.00 C ATOM 46 CD1 ILE A 11 74.647 -3.042 -16.150 1.00 0.00 C ATOM 0 H ILE A 11 77.711 -2.841 -13.478 1.00 0.00 H new ATOM 0 HA ILE A 11 75.404 -1.102 -14.410 1.00 0.00 H new ATOM 0 HB ILE A 11 75.590 -3.742 -12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.273 -4.107 -15.204 1.00 0.00 H new ATOM 0 HG13 ILE A 11 74.698 -4.826 -14.931 1.00 0.00 H new ATOM 0 HG21 ILE A 11 73.128 -3.873 -13.266 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.563 -2.428 -12.324 1.00 0.00 H new ATOM 0 HG23 ILE A 11 73.180 -2.279 -14.055 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.740 -3.598 -17.083 1.00 0.00 H new ATOM 0 HD12 ILE A 11 73.595 -2.833 -15.955 1.00 0.00 H new ATOM 0 HD13 ILE A 11 75.194 -2.103 -16.231 1.00 0.00 H new ATOM 58 N MET A 12 75.298 0.113 -12.271 1.00 0.00 N ATOM 59 CA MET A 12 75.125 0.816 -10.959 1.00 0.00 C ATOM 60 C MET A 12 73.782 0.432 -10.319 1.00 0.00 C ATOM 61 O MET A 12 72.726 0.738 -10.846 1.00 0.00 O ATOM 62 CB MET A 12 75.196 2.323 -11.276 1.00 0.00 C ATOM 63 CG MET A 12 74.068 2.758 -12.242 1.00 0.00 C ATOM 64 SD MET A 12 72.840 3.784 -11.383 1.00 0.00 S ATOM 65 CE MET A 12 73.921 5.193 -11.040 1.00 0.00 C ATOM 0 H MET A 12 74.968 0.633 -13.084 1.00 0.00 H new ATOM 0 HA MET A 12 75.895 0.537 -10.240 1.00 0.00 H new ATOM 0 HB2 MET A 12 75.123 2.894 -10.350 1.00 0.00 H new ATOM 0 HB3 MET A 12 76.164 2.557 -11.718 1.00 0.00 H new ATOM 0 HG2 MET A 12 74.493 3.315 -13.077 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.582 1.877 -12.661 1.00 0.00 H new ATOM 0 HE1 MET A 12 73.339 6.114 -11.068 1.00 0.00 H new ATOM 0 HE2 MET A 12 74.368 5.077 -10.053 1.00 0.00 H new ATOM 0 HE3 MET A 12 74.709 5.239 -11.792 1.00 0.00 H new ATOM 75 N SER A 13 73.828 -0.238 -9.189 1.00 0.00 N ATOM 76 CA SER A 13 72.574 -0.654 -8.487 1.00 0.00 C ATOM 77 C SER A 13 72.344 0.219 -7.250 1.00 0.00 C ATOM 78 O SER A 13 73.277 0.776 -6.696 1.00 0.00 O ATOM 79 CB SER A 13 72.813 -2.108 -8.080 1.00 0.00 C ATOM 80 OG SER A 13 73.943 -2.176 -7.221 1.00 0.00 O ATOM 0 H SER A 13 74.691 -0.516 -8.721 1.00 0.00 H new ATOM 0 HA SER A 13 71.692 -0.546 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.933 -2.505 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.977 -2.723 -8.965 1.00 0.00 H new ATOM 0 HG SER A 13 74.165 -1.277 -6.901 1.00 0.00 H new ATOM 86 N GLU A 14 71.107 0.333 -6.818 1.00 0.00 N ATOM 87 CA GLU A 14 70.775 1.233 -5.669 1.00 0.00 C ATOM 88 C GLU A 14 69.582 0.681 -4.881 1.00 0.00 C ATOM 89 O GLU A 14 68.683 0.082 -5.444 1.00 0.00 O ATOM 90 CB GLU A 14 70.416 2.577 -6.311 1.00 0.00 C ATOM 91 CG GLU A 14 71.680 3.424 -6.477 1.00 0.00 C ATOM 92 CD GLU A 14 71.332 4.729 -7.197 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.340 5.338 -6.833 1.00 0.00 O ATOM 94 OE2 GLU A 14 72.066 5.097 -8.099 1.00 0.00 O ATOM 0 H GLU A 14 70.310 -0.163 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 14 71.603 1.321 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 14 69.946 2.414 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.692 3.105 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.116 3.640 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.428 2.872 -7.045 1.00 0.00 H new ATOM 101 N LEU A 15 69.583 0.883 -3.582 1.00 0.00 N ATOM 102 CA LEU A 15 68.407 0.501 -2.740 1.00 0.00 C ATOM 103 C LEU A 15 67.969 1.687 -1.875 1.00 0.00 C ATOM 104 O LEU A 15 68.760 2.243 -1.132 1.00 0.00 O ATOM 105 CB LEU A 15 68.905 -0.650 -1.864 1.00 0.00 C ATOM 106 CG LEU A 15 67.724 -1.280 -1.124 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.885 -2.101 -2.105 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.247 -2.195 -0.013 1.00 0.00 C ATOM 0 H LEU A 15 70.358 1.301 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 15 67.544 0.211 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.403 -1.399 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.642 -0.284 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 15 67.108 -0.493 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.044 -2.550 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.512 -1.452 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.501 -2.888 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.406 -2.644 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.863 -2.981 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.845 -1.612 0.687 1.00 0.00 H new ATOM 120 N LYS A 16 66.716 2.073 -1.973 1.00 0.00 N ATOM 121 CA LYS A 16 66.178 3.172 -1.111 1.00 0.00 C ATOM 122 C LYS A 16 65.311 2.589 0.007 1.00 0.00 C ATOM 123 O LYS A 16 64.331 1.912 -0.254 1.00 0.00 O ATOM 124 CB LYS A 16 65.334 4.040 -2.055 1.00 0.00 C ATOM 125 CG LYS A 16 66.203 5.142 -2.673 1.00 0.00 C ATOM 126 CD LYS A 16 67.223 4.523 -3.632 1.00 0.00 C ATOM 127 CE LYS A 16 67.936 5.633 -4.408 1.00 0.00 C ATOM 128 NZ LYS A 16 67.026 5.954 -5.541 1.00 0.00 N ATOM 0 H LYS A 16 66.039 1.668 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 16 66.969 3.747 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.902 3.422 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.503 4.485 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.576 5.856 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.718 5.695 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.949 3.931 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.723 3.845 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.108 6.507 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.911 5.301 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.048 6.977 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.337 5.442 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.056 5.667 -5.299 1.00 0.00 H new ATOM 142 N LEU A 17 65.673 2.853 1.244 1.00 0.00 N ATOM 143 CA LEU A 17 64.898 2.313 2.408 1.00 0.00 C ATOM 144 C LEU A 17 64.252 3.460 3.191 1.00 0.00 C ATOM 145 O LEU A 17 64.739 4.577 3.173 1.00 0.00 O ATOM 146 CB LEU A 17 65.920 1.586 3.295 1.00 0.00 C ATOM 147 CG LEU A 17 66.588 0.437 2.528 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.735 -0.130 3.366 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.562 -0.669 2.255 1.00 0.00 C ATOM 0 H LEU A 17 66.479 3.424 1.497 1.00 0.00 H new ATOM 0 HA LEU A 17 64.100 1.646 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.678 2.291 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.424 1.196 4.184 1.00 0.00 H new ATOM 0 HG LEU A 17 66.975 0.811 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.212 -0.947 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.467 0.654 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.344 -0.502 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.041 -1.483 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.172 -1.045 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.743 -0.266 1.660 1.00 0.00 H new ATOM 161 N LYS A 18 63.163 3.185 3.873 1.00 0.00 N ATOM 162 CA LYS A 18 62.550 4.197 4.791 1.00 0.00 C ATOM 163 C LYS A 18 62.364 3.589 6.197 1.00 0.00 C ATOM 164 O LYS A 18 61.840 2.493 6.300 1.00 0.00 O ATOM 165 CB LYS A 18 61.191 4.523 4.168 1.00 0.00 C ATOM 166 CG LYS A 18 60.559 5.707 4.905 1.00 0.00 C ATOM 167 CD LYS A 18 59.212 6.045 4.266 1.00 0.00 C ATOM 168 CE LYS A 18 58.814 7.475 4.637 1.00 0.00 C ATOM 169 NZ LYS A 18 57.474 7.674 4.017 1.00 0.00 N ATOM 0 H LYS A 18 62.669 2.293 3.831 1.00 0.00 H new ATOM 0 HA LYS A 18 63.171 5.085 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.312 4.762 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.535 3.654 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.423 5.462 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.221 6.572 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.276 5.944 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.450 5.344 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.772 7.605 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.536 8.197 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.133 8.634 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.546 7.550 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.806 6.977 4.403 1.00 0.00 H new ATOM 183 N PRO A 19 62.791 4.294 7.241 1.00 0.00 N ATOM 184 CA PRO A 19 62.584 3.785 8.625 1.00 0.00 C ATOM 185 C PRO A 19 61.121 3.966 9.045 1.00 0.00 C ATOM 186 O PRO A 19 60.507 4.973 8.741 1.00 0.00 O ATOM 187 CB PRO A 19 63.504 4.658 9.477 1.00 0.00 C ATOM 188 CG PRO A 19 63.643 5.933 8.712 1.00 0.00 C ATOM 189 CD PRO A 19 63.495 5.595 7.252 1.00 0.00 C ATOM 0 HA PRO A 19 62.804 2.722 8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.078 4.835 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.472 4.181 9.628 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.883 6.651 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.612 6.393 8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.925 6.359 6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.465 5.525 6.761 1.00 0.00 H new ATOM 197 N LEU A 20 60.571 2.993 9.738 1.00 0.00 N ATOM 198 CA LEU A 20 59.166 3.116 10.255 1.00 0.00 C ATOM 199 C LEU A 20 59.063 3.925 11.584 1.00 0.00 C ATOM 200 O LEU A 20 58.212 4.797 11.630 1.00 0.00 O ATOM 201 CB LEU A 20 58.624 1.682 10.385 1.00 0.00 C ATOM 202 CG LEU A 20 58.494 1.058 8.994 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.497 -0.467 9.115 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.182 1.515 8.352 1.00 0.00 C ATOM 0 H LEU A 20 61.037 2.115 9.969 1.00 0.00 H new ATOM 0 HA LEU A 20 58.560 3.697 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.293 1.083 11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.654 1.692 10.883 1.00 0.00 H new ATOM 0 HG LEU A 20 59.333 1.374 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.404 -0.911 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.431 -0.794 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.658 -0.784 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.088 1.071 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.344 1.198 8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.179 2.602 8.265 1.00 0.00 H new ATOM 216 N PRO A 21 59.873 3.673 12.634 1.00 0.00 N ATOM 217 CA PRO A 21 59.915 4.647 13.770 1.00 0.00 C ATOM 218 C PRO A 21 60.567 5.961 13.319 1.00 0.00 C ATOM 219 O PRO A 21 61.317 5.984 12.358 1.00 0.00 O ATOM 220 CB PRO A 21 60.766 3.956 14.837 1.00 0.00 C ATOM 221 CG PRO A 21 61.592 2.968 14.089 1.00 0.00 C ATOM 222 CD PRO A 21 60.772 2.526 12.912 1.00 0.00 C ATOM 0 HA PRO A 21 58.922 4.903 14.140 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.392 4.673 15.368 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.141 3.464 15.583 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.530 3.416 13.761 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.849 2.119 14.723 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.402 2.298 12.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.205 1.623 13.140 1.00 0.00 H new ATOM 230 N LYS A 22 60.280 7.043 14.008 1.00 0.00 N ATOM 231 CA LYS A 22 60.857 8.373 13.626 1.00 0.00 C ATOM 232 C LYS A 22 62.260 8.531 14.223 1.00 0.00 C ATOM 233 O LYS A 22 62.415 8.968 15.352 1.00 0.00 O ATOM 234 CB LYS A 22 59.899 9.419 14.207 1.00 0.00 C ATOM 235 CG LYS A 22 60.269 10.806 13.676 1.00 0.00 C ATOM 236 CD LYS A 22 59.265 11.837 14.197 1.00 0.00 C ATOM 237 CE LYS A 22 59.558 12.141 15.669 1.00 0.00 C ATOM 238 NZ LYS A 22 58.247 12.553 16.243 1.00 0.00 N ATOM 0 H LYS A 22 59.667 7.061 14.823 1.00 0.00 H new ATOM 0 HA LYS A 22 60.957 8.480 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.872 9.177 13.935 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.951 9.410 15.296 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.277 11.072 13.994 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.269 10.802 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.328 12.751 13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.249 11.457 14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.956 11.265 16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.300 12.933 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.365 12.778 17.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.896 13.393 15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.563 11.776 16.140 1.00 0.00 H new ATOM 252 N VAL A 23 63.277 8.174 13.469 1.00 0.00 N ATOM 253 CA VAL A 23 64.685 8.318 13.954 1.00 0.00 C ATOM 254 C VAL A 23 65.624 8.634 12.776 1.00 0.00 C ATOM 255 O VAL A 23 65.438 8.133 11.681 1.00 0.00 O ATOM 256 CB VAL A 23 65.021 6.968 14.623 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.953 5.815 13.609 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.426 7.023 15.231 1.00 0.00 C ATOM 0 H VAL A 23 63.187 7.786 12.530 1.00 0.00 H new ATOM 0 HA VAL A 23 64.807 9.140 14.659 1.00 0.00 H new ATOM 0 HB VAL A 23 64.284 6.788 15.406 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.194 4.877 14.108 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.948 5.756 13.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.669 5.993 12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.657 6.067 15.701 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.154 7.226 14.446 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.468 7.815 15.979 1.00 0.00 H new ATOM 268 N GLU A 24 66.618 9.461 13.006 1.00 0.00 N ATOM 269 CA GLU A 24 67.625 9.771 11.943 1.00 0.00 C ATOM 270 C GLU A 24 68.961 9.101 12.272 1.00 0.00 C ATOM 271 O GLU A 24 69.547 9.357 13.309 1.00 0.00 O ATOM 272 CB GLU A 24 67.770 11.294 11.964 1.00 0.00 C ATOM 273 CG GLU A 24 66.470 11.940 11.475 1.00 0.00 C ATOM 274 CD GLU A 24 66.646 13.459 11.406 1.00 0.00 C ATOM 275 OE1 GLU A 24 67.672 13.896 10.909 1.00 0.00 O ATOM 276 OE2 GLU A 24 65.752 14.159 11.851 1.00 0.00 O ATOM 0 H GLU A 24 66.775 9.938 13.894 1.00 0.00 H new ATOM 0 HA GLU A 24 67.317 9.405 10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.999 11.634 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.601 11.599 11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.205 11.549 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.651 11.689 12.149 1.00 0.00 H new ATOM 283 N LEU A 25 69.439 8.248 11.392 1.00 0.00 N ATOM 284 CA LEU A 25 70.705 7.494 11.662 1.00 0.00 C ATOM 285 C LEU A 25 71.911 8.242 11.059 1.00 0.00 C ATOM 286 O LEU A 25 71.875 8.578 9.890 1.00 0.00 O ATOM 287 CB LEU A 25 70.519 6.142 10.968 1.00 0.00 C ATOM 288 CG LEU A 25 69.426 5.343 11.681 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.041 4.132 10.828 1.00 0.00 C ATOM 290 CD2 LEU A 25 69.942 4.865 13.041 1.00 0.00 C ATOM 0 H LEU A 25 69.002 8.042 10.494 1.00 0.00 H new ATOM 0 HA LEU A 25 70.897 7.384 12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.250 6.293 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.456 5.585 10.978 1.00 0.00 H new ATOM 0 HG LEU A 25 68.552 5.978 11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.262 3.562 11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.670 4.471 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.916 3.499 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.162 4.296 13.547 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.817 4.231 12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.215 5.727 13.650 1.00 0.00 H new ATOM 302 N PRO A 26 72.950 8.492 11.854 1.00 0.00 N ATOM 303 CA PRO A 26 74.184 9.153 11.319 1.00 0.00 C ATOM 304 C PRO A 26 74.810 8.342 10.162 1.00 0.00 C ATOM 305 O PRO A 26 74.452 7.196 9.963 1.00 0.00 O ATOM 306 CB PRO A 26 75.130 9.192 12.524 1.00 0.00 C ATOM 307 CG PRO A 26 74.234 9.097 13.711 1.00 0.00 C ATOM 308 CD PRO A 26 73.093 8.215 13.300 1.00 0.00 C ATOM 0 HA PRO A 26 73.975 10.139 10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.840 8.366 12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.713 10.113 12.540 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.763 8.677 14.566 1.00 0.00 H new ATOM 0 HG3 PRO A 26 73.877 10.083 14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.310 7.163 13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.182 8.456 13.847 1.00 0.00 H new ATOM 316 N PRO A 27 75.730 8.957 9.430 1.00 0.00 N ATOM 317 CA PRO A 27 76.280 8.332 8.186 1.00 0.00 C ATOM 318 C PRO A 27 77.094 7.055 8.467 1.00 0.00 C ATOM 319 O PRO A 27 77.460 6.360 7.537 1.00 0.00 O ATOM 320 CB PRO A 27 77.184 9.425 7.597 1.00 0.00 C ATOM 321 CG PRO A 27 76.757 10.683 8.274 1.00 0.00 C ATOM 322 CD PRO A 27 76.346 10.279 9.656 1.00 0.00 C ATOM 0 HA PRO A 27 75.482 8.013 7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.236 9.212 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.063 9.498 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.571 11.408 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.931 11.153 7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.199 10.219 10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.641 10.986 10.093 1.00 0.00 H new ATOM 330 N ASP A 28 77.390 6.743 9.713 1.00 0.00 N ATOM 331 CA ASP A 28 78.154 5.484 10.018 1.00 0.00 C ATOM 332 C ASP A 28 77.242 4.252 9.896 1.00 0.00 C ATOM 333 O ASP A 28 77.697 3.171 9.560 1.00 0.00 O ATOM 334 CB ASP A 28 78.705 5.640 11.449 1.00 0.00 C ATOM 335 CG ASP A 28 77.570 5.839 12.462 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.784 4.921 12.632 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.509 6.906 13.050 1.00 0.00 O ATOM 0 H ASP A 28 77.137 7.303 10.527 1.00 0.00 H new ATOM 0 HA ASP A 28 78.969 5.334 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.284 4.756 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.385 6.491 11.489 1.00 0.00 H new ATOM 342 N PHE A 29 75.959 4.411 10.159 1.00 0.00 N ATOM 343 CA PHE A 29 75.010 3.242 10.098 1.00 0.00 C ATOM 344 C PHE A 29 74.989 2.618 8.697 1.00 0.00 C ATOM 345 O PHE A 29 75.056 1.411 8.557 1.00 0.00 O ATOM 346 CB PHE A 29 73.625 3.798 10.459 1.00 0.00 C ATOM 347 CG PHE A 29 73.327 3.736 11.938 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.808 4.760 12.809 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.560 2.650 12.464 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.525 4.699 14.209 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.277 2.589 13.863 1.00 0.00 C ATOM 352 CZ PHE A 29 72.760 3.613 14.736 1.00 0.00 C ATOM 0 H PHE A 29 75.528 5.300 10.413 1.00 0.00 H new ATOM 0 HA PHE A 29 75.318 2.454 10.785 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.557 4.833 10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.863 3.238 9.917 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.386 5.581 12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.195 1.877 11.804 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.889 5.473 14.868 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.698 1.769 14.261 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.547 3.566 15.794 1.00 0.00 H new ATOM 362 N VAL A 30 74.907 3.431 7.665 1.00 0.00 N ATOM 363 CA VAL A 30 74.689 2.894 6.273 1.00 0.00 C ATOM 364 C VAL A 30 75.819 1.920 5.879 1.00 0.00 C ATOM 365 O VAL A 30 75.595 0.963 5.159 1.00 0.00 O ATOM 366 CB VAL A 30 74.636 4.130 5.347 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.980 4.870 5.336 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.277 3.692 3.923 1.00 0.00 C ATOM 0 H VAL A 30 74.982 4.447 7.725 1.00 0.00 H new ATOM 0 HA VAL A 30 73.766 2.319 6.198 1.00 0.00 H new ATOM 0 HB VAL A 30 73.874 4.810 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.914 5.735 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.221 5.202 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.761 4.200 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.240 4.565 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 30 75.032 2.997 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.303 3.202 3.928 1.00 0.00 H new ATOM 378 N ASP A 31 77.019 2.169 6.359 1.00 0.00 N ATOM 379 CA ASP A 31 78.169 1.249 6.066 1.00 0.00 C ATOM 380 C ASP A 31 77.977 -0.077 6.805 1.00 0.00 C ATOM 381 O ASP A 31 78.219 -1.137 6.255 1.00 0.00 O ATOM 382 CB ASP A 31 79.426 1.966 6.573 1.00 0.00 C ATOM 383 CG ASP A 31 79.666 3.231 5.746 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.555 3.154 4.533 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.957 4.257 6.339 1.00 0.00 O ATOM 0 H ASP A 31 77.251 2.973 6.943 1.00 0.00 H new ATOM 0 HA ASP A 31 78.244 1.024 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.310 2.224 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.289 1.303 6.501 1.00 0.00 H new ATOM 390 N VAL A 32 77.537 -0.020 8.044 1.00 0.00 N ATOM 391 CA VAL A 32 77.374 -1.275 8.859 1.00 0.00 C ATOM 392 C VAL A 32 76.217 -2.109 8.284 1.00 0.00 C ATOM 393 O VAL A 32 76.304 -3.322 8.207 1.00 0.00 O ATOM 394 CB VAL A 32 77.075 -0.823 10.305 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.929 -2.043 11.223 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.223 0.048 10.830 1.00 0.00 C ATOM 0 H VAL A 32 77.283 0.842 8.527 1.00 0.00 H new ATOM 0 HA VAL A 32 78.268 -1.898 8.837 1.00 0.00 H new ATOM 0 HB VAL A 32 76.146 -0.253 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.718 -1.710 12.239 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.110 -2.669 10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.855 -2.618 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.004 0.362 11.850 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.150 -0.526 10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.332 0.927 10.195 1.00 0.00 H new ATOM 406 N ILE A 33 75.144 -1.462 7.880 1.00 0.00 N ATOM 407 CA ILE A 33 73.979 -2.197 7.269 1.00 0.00 C ATOM 408 C ILE A 33 74.414 -2.878 5.958 1.00 0.00 C ATOM 409 O ILE A 33 74.075 -4.021 5.711 1.00 0.00 O ATOM 410 CB ILE A 33 72.890 -1.123 7.022 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.451 -0.483 8.360 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.664 -1.731 6.319 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.867 -1.529 9.325 1.00 0.00 C ATOM 0 H ILE A 33 75.023 -0.451 7.947 1.00 0.00 H new ATOM 0 HA ILE A 33 73.601 -2.988 7.917 1.00 0.00 H new ATOM 0 HB ILE A 33 73.319 -0.356 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.306 0.006 8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.707 0.290 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.915 -0.955 6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.966 -2.149 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.241 -2.520 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.570 -1.042 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.997 -2.000 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.620 -2.288 9.538 1.00 0.00 H new ATOM 425 N ARG A 34 75.160 -2.180 5.127 1.00 0.00 N ATOM 426 CA ARG A 34 75.632 -2.772 3.824 1.00 0.00 C ATOM 427 C ARG A 34 76.487 -4.026 4.064 1.00 0.00 C ATOM 428 O ARG A 34 76.329 -5.025 3.385 1.00 0.00 O ATOM 429 CB ARG A 34 76.473 -1.683 3.148 1.00 0.00 C ATOM 430 CG ARG A 34 76.769 -2.085 1.702 1.00 0.00 C ATOM 431 CD ARG A 34 77.614 -0.997 1.030 1.00 0.00 C ATOM 432 NE ARG A 34 78.961 -1.059 1.694 1.00 0.00 N ATOM 433 CZ ARG A 34 79.793 -0.031 1.699 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.515 1.112 1.110 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.942 -0.159 2.306 1.00 0.00 N ATOM 0 H ARG A 34 75.464 -1.221 5.295 1.00 0.00 H new ATOM 0 HA ARG A 34 74.788 -3.078 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.940 -0.732 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.405 -1.538 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.299 -3.037 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.837 -2.226 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.698 -1.173 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.160 -0.014 1.157 1.00 0.00 H new ATOM 0 HE ARG A 34 79.243 -1.923 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.627 1.232 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.188 1.878 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.182 -1.039 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.600 0.621 2.323 1.00 0.00 H new ATOM 449 N ILE A 35 77.380 -3.974 5.028 1.00 0.00 N ATOM 450 CA ILE A 35 78.291 -5.142 5.303 1.00 0.00 C ATOM 451 C ILE A 35 77.469 -6.343 5.804 1.00 0.00 C ATOM 452 O ILE A 35 77.712 -7.469 5.407 1.00 0.00 O ATOM 453 CB ILE A 35 79.289 -4.655 6.379 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.114 -3.488 5.827 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.248 -5.784 6.778 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.790 -2.749 6.984 1.00 0.00 C ATOM 0 H ILE A 35 77.519 -3.170 5.640 1.00 0.00 H new ATOM 0 HA ILE A 35 78.817 -5.473 4.408 1.00 0.00 H new ATOM 0 HB ILE A 35 78.720 -4.338 7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.865 -3.858 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.471 -2.805 5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.942 -5.421 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.677 -6.621 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.807 -6.113 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.377 -1.919 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.030 -2.366 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.445 -3.435 7.521 1.00 0.00 H new ATOM 468 N LYS A 36 76.513 -6.102 6.670 1.00 0.00 N ATOM 469 CA LYS A 36 75.658 -7.219 7.202 1.00 0.00 C ATOM 470 C LYS A 36 74.790 -7.823 6.092 1.00 0.00 C ATOM 471 O LYS A 36 74.658 -9.030 5.993 1.00 0.00 O ATOM 472 CB LYS A 36 74.769 -6.589 8.282 1.00 0.00 C ATOM 473 CG LYS A 36 75.637 -6.129 9.455 1.00 0.00 C ATOM 474 CD LYS A 36 74.762 -5.427 10.494 1.00 0.00 C ATOM 475 CE LYS A 36 73.975 -6.471 11.290 1.00 0.00 C ATOM 476 NZ LYS A 36 74.911 -6.925 12.356 1.00 0.00 N ATOM 0 H LYS A 36 76.285 -5.177 7.034 1.00 0.00 H new ATOM 0 HA LYS A 36 76.272 -8.027 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.221 -5.743 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.029 -7.312 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.140 -6.984 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.415 -5.452 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.382 -4.834 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 36 74.076 -4.738 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 36 73.068 -6.042 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 36 73.666 -7.302 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 74.760 -7.937 12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 75.892 -6.773 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.736 -6.382 13.226 1.00 0.00 H new ATOM 490 N LEU A 37 74.207 -6.991 5.258 1.00 0.00 N ATOM 491 CA LEU A 37 73.098 -7.456 4.360 1.00 0.00 C ATOM 492 C LEU A 37 73.625 -7.981 3.018 1.00 0.00 C ATOM 493 O LEU A 37 72.985 -8.806 2.391 1.00 0.00 O ATOM 494 CB LEU A 37 72.215 -6.225 4.137 1.00 0.00 C ATOM 495 CG LEU A 37 71.353 -5.979 5.378 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.699 -4.601 5.278 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.265 -7.053 5.467 1.00 0.00 C ATOM 0 H LEU A 37 74.453 -6.006 5.160 1.00 0.00 H new ATOM 0 HA LEU A 37 72.555 -8.285 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.835 -5.352 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.579 -6.374 3.264 1.00 0.00 H new ATOM 0 HG LEU A 37 71.980 -6.022 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.085 -4.425 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.472 -3.835 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.073 -4.559 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.652 -6.877 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.638 -7.011 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.730 -8.037 5.537 1.00 0.00 H new ATOM 509 N GLN A 38 74.777 -7.513 2.571 1.00 0.00 N ATOM 510 CA GLN A 38 75.303 -7.886 1.200 1.00 0.00 C ATOM 511 C GLN A 38 75.291 -9.409 0.960 1.00 0.00 C ATOM 512 O GLN A 38 75.510 -10.187 1.872 1.00 0.00 O ATOM 513 CB GLN A 38 76.745 -7.343 1.131 1.00 0.00 C ATOM 514 CG GLN A 38 77.613 -7.945 2.244 1.00 0.00 C ATOM 515 CD GLN A 38 79.024 -7.358 2.168 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.997 -8.084 2.153 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.177 -6.063 2.116 1.00 0.00 N ATOM 0 H GLN A 38 75.382 -6.884 3.099 1.00 0.00 H new ATOM 0 HA GLN A 38 74.666 -7.458 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.179 -7.577 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.733 -6.257 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.172 -7.733 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.653 -9.029 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.360 -5.452 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.113 -5.662 2.063 1.00 0.00 H new ATOM 526 N GLY A 39 75.039 -9.819 -0.263 1.00 0.00 N ATOM 527 CA GLY A 39 74.876 -11.275 -0.575 1.00 0.00 C ATOM 528 C GLY A 39 73.391 -11.666 -0.580 1.00 0.00 C ATOM 529 O GLY A 39 73.008 -12.609 -1.249 1.00 0.00 O ATOM 0 H GLY A 39 74.939 -9.198 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.319 -11.496 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.412 -11.872 0.163 1.00 0.00 H new ATOM 533 N LYS A 40 72.559 -10.956 0.156 1.00 0.00 N ATOM 534 CA LYS A 40 71.088 -11.241 0.143 1.00 0.00 C ATOM 535 C LYS A 40 70.403 -10.424 -0.956 1.00 0.00 C ATOM 536 O LYS A 40 70.897 -9.386 -1.359 1.00 0.00 O ATOM 537 CB LYS A 40 70.575 -10.816 1.523 1.00 0.00 C ATOM 538 CG LYS A 40 71.162 -11.737 2.594 1.00 0.00 C ATOM 539 CD LYS A 40 70.563 -11.383 3.957 1.00 0.00 C ATOM 540 CE LYS A 40 71.243 -12.216 5.046 1.00 0.00 C ATOM 541 NZ LYS A 40 70.583 -13.551 4.975 1.00 0.00 N ATOM 0 H LYS A 40 72.841 -10.189 0.766 1.00 0.00 H new ATOM 0 HA LYS A 40 70.879 -12.292 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.856 -9.782 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.486 -10.861 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.948 -12.778 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.247 -11.633 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.697 -10.321 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.490 -11.574 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 40 72.316 -12.296 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.114 -11.763 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.004 -13.698 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.976 -13.594 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 71.308 -14.294 4.917 1.00 0.00 H new ATOM 555 N THR A 41 69.272 -10.895 -1.437 1.00 0.00 N ATOM 556 CA THR A 41 68.540 -10.176 -2.524 1.00 0.00 C ATOM 557 C THR A 41 67.386 -9.357 -1.939 1.00 0.00 C ATOM 558 O THR A 41 66.800 -9.729 -0.937 1.00 0.00 O ATOM 559 CB THR A 41 68.003 -11.280 -3.436 1.00 0.00 C ATOM 560 OG1 THR A 41 69.056 -12.178 -3.760 1.00 0.00 O ATOM 561 CG2 THR A 41 67.448 -10.661 -4.720 1.00 0.00 C ATOM 0 H THR A 41 68.825 -11.754 -1.117 1.00 0.00 H new ATOM 0 HA THR A 41 69.183 -9.478 -3.060 1.00 0.00 H new ATOM 0 HB THR A 41 67.208 -11.820 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.713 -12.887 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.066 -11.449 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.641 -9.972 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.241 -10.120 -5.236 1.00 0.00 H new ATOM 569 N VAL A 42 67.065 -8.247 -2.566 1.00 0.00 N ATOM 570 CA VAL A 42 65.991 -7.343 -2.043 1.00 0.00 C ATOM 571 C VAL A 42 65.014 -6.973 -3.166 1.00 0.00 C ATOM 572 O VAL A 42 65.419 -6.755 -4.295 1.00 0.00 O ATOM 573 CB VAL A 42 66.710 -6.088 -1.508 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.599 -6.475 -0.323 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.580 -5.439 -2.598 1.00 0.00 C ATOM 0 H VAL A 42 67.508 -7.927 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 42 65.408 -7.825 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 42 65.952 -5.370 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.107 -5.588 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.984 -6.906 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.339 -7.207 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.074 -4.557 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.331 -6.152 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.952 -5.147 -3.439 1.00 0.00 H new ATOM 585 N ARG A 43 63.739 -6.911 -2.853 1.00 0.00 N ATOM 586 CA ARG A 43 62.723 -6.432 -3.839 1.00 0.00 C ATOM 587 C ARG A 43 61.743 -5.470 -3.158 1.00 0.00 C ATOM 588 O ARG A 43 61.443 -5.611 -1.986 1.00 0.00 O ATOM 589 CB ARG A 43 61.999 -7.695 -4.308 1.00 0.00 C ATOM 590 CG ARG A 43 61.098 -7.357 -5.497 1.00 0.00 C ATOM 591 CD ARG A 43 60.407 -8.629 -5.992 1.00 0.00 C ATOM 592 NE ARG A 43 59.415 -8.971 -4.924 1.00 0.00 N ATOM 593 CZ ARG A 43 58.255 -8.345 -4.806 1.00 0.00 C ATOM 594 NH1 ARG A 43 57.890 -7.375 -5.616 1.00 0.00 N ATOM 595 NH2 ARG A 43 57.443 -8.703 -3.850 1.00 0.00 N ATOM 0 H ARG A 43 63.358 -7.176 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 43 63.175 -5.891 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.724 -8.457 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.404 -8.109 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.354 -6.617 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.688 -6.915 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.914 -8.463 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.124 -9.437 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 43 59.642 -9.714 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.510 -7.079 -6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 43 56.987 -6.918 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 43 57.707 -9.453 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 43 56.544 -8.233 -3.742 1.00 0.00 H new ATOM 609 N THR A 44 61.241 -4.497 -3.890 1.00 0.00 N ATOM 610 CA THR A 44 60.357 -3.434 -3.280 1.00 0.00 C ATOM 611 C THR A 44 59.159 -4.050 -2.539 1.00 0.00 C ATOM 612 O THR A 44 58.554 -4.998 -3.010 1.00 0.00 O ATOM 613 CB THR A 44 59.859 -2.587 -4.457 1.00 0.00 C ATOM 614 OG1 THR A 44 60.956 -2.250 -5.294 1.00 0.00 O ATOM 615 CG2 THR A 44 59.208 -1.308 -3.928 1.00 0.00 C ATOM 0 H THR A 44 61.405 -4.390 -4.891 1.00 0.00 H new ATOM 0 HA THR A 44 60.909 -2.847 -2.546 1.00 0.00 H new ATOM 0 HB THR A 44 59.126 -3.156 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.639 -1.710 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.854 -0.707 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.366 -1.567 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.939 -0.738 -3.355 1.00 0.00 H new ATOM 623 N GLY A 45 58.825 -3.509 -1.388 1.00 0.00 N ATOM 624 CA GLY A 45 57.629 -3.989 -0.626 1.00 0.00 C ATOM 625 C GLY A 45 58.033 -4.965 0.491 1.00 0.00 C ATOM 626 O GLY A 45 57.256 -5.203 1.399 1.00 0.00 O ATOM 0 H GLY A 45 59.337 -2.748 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.104 -3.137 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.934 -4.480 -1.307 1.00 0.00 H new ATOM 630 N ASP A 46 59.226 -5.532 0.438 1.00 0.00 N ATOM 631 CA ASP A 46 59.696 -6.431 1.551 1.00 0.00 C ATOM 632 C ASP A 46 59.835 -5.646 2.860 1.00 0.00 C ATOM 633 O ASP A 46 60.087 -4.455 2.848 1.00 0.00 O ATOM 634 CB ASP A 46 61.068 -6.966 1.120 1.00 0.00 C ATOM 635 CG ASP A 46 60.907 -7.945 -0.048 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.959 -8.714 -0.033 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.745 -7.915 -0.934 1.00 0.00 O ATOM 0 H ASP A 46 59.891 -5.410 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 46 58.983 -7.237 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.714 -6.139 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.553 -7.465 1.959 1.00 0.00 H new ATOM 642 N VAL A 47 59.670 -6.315 3.979 1.00 0.00 N ATOM 643 CA VAL A 47 59.852 -5.653 5.310 1.00 0.00 C ATOM 644 C VAL A 47 60.728 -6.548 6.200 1.00 0.00 C ATOM 645 O VAL A 47 60.465 -7.730 6.342 1.00 0.00 O ATOM 646 CB VAL A 47 58.434 -5.497 5.899 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.500 -4.805 7.266 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.566 -4.644 4.966 1.00 0.00 C ATOM 0 H VAL A 47 59.414 -7.301 4.025 1.00 0.00 H new ATOM 0 HA VAL A 47 60.345 -4.684 5.234 1.00 0.00 H new ATOM 0 HB VAL A 47 58.000 -6.491 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.493 -4.701 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.105 -5.403 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.949 -3.818 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.568 -4.540 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.016 -3.658 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.497 -5.127 3.991 1.00 0.00 H new ATOM 658 N ILE A 48 61.757 -5.984 6.791 1.00 0.00 N ATOM 659 CA ILE A 48 62.670 -6.783 7.673 1.00 0.00 C ATOM 660 C ILE A 48 63.026 -5.987 8.933 1.00 0.00 C ATOM 661 O ILE A 48 63.161 -4.776 8.888 1.00 0.00 O ATOM 662 CB ILE A 48 63.928 -7.096 6.836 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.611 -5.806 6.331 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.535 -7.967 5.638 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.616 -5.284 7.369 1.00 0.00 C ATOM 0 H ILE A 48 62.005 -4.999 6.700 1.00 0.00 H new ATOM 0 HA ILE A 48 62.194 -7.705 8.007 1.00 0.00 H new ATOM 0 HB ILE A 48 64.637 -7.625 7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.123 -6.004 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.858 -5.044 6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.421 -8.190 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.093 -8.898 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.811 -7.434 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.087 -4.375 6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.096 -5.066 8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.380 -6.041 7.548 1.00 0.00 H new ATOM 677 N GLY A 49 63.172 -6.664 10.051 1.00 0.00 N ATOM 678 CA GLY A 49 63.503 -5.974 11.337 1.00 0.00 C ATOM 679 C GLY A 49 64.951 -6.283 11.727 1.00 0.00 C ATOM 680 O GLY A 49 65.403 -7.407 11.603 1.00 0.00 O ATOM 0 H GLY A 49 63.074 -7.677 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.366 -4.898 11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.825 -6.305 12.124 1.00 0.00 H new ATOM 684 N ILE A 50 65.671 -5.288 12.196 1.00 0.00 N ATOM 685 CA ILE A 50 67.082 -5.505 12.655 1.00 0.00 C ATOM 686 C ILE A 50 67.240 -4.962 14.083 1.00 0.00 C ATOM 687 O ILE A 50 66.799 -3.867 14.385 1.00 0.00 O ATOM 688 CB ILE A 50 67.966 -4.727 11.657 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.771 -5.283 10.238 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.447 -4.868 12.036 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.374 -4.314 9.218 1.00 0.00 C ATOM 0 H ILE A 50 65.338 -4.328 12.281 1.00 0.00 H new ATOM 0 HA ILE A 50 67.361 -6.558 12.679 1.00 0.00 H new ATOM 0 HB ILE A 50 67.675 -3.677 11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.246 -6.260 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.710 -5.426 10.035 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.059 -4.314 11.324 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.606 -4.469 13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.729 -5.921 12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.234 -4.711 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.879 -3.346 9.298 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.439 -4.194 9.416 1.00 0.00 H new ATOM 703 N SER A 51 67.859 -5.731 14.952 1.00 0.00 N ATOM 704 CA SER A 51 68.172 -5.234 16.332 1.00 0.00 C ATOM 705 C SER A 51 69.535 -4.536 16.345 1.00 0.00 C ATOM 706 O SER A 51 70.542 -5.132 16.005 1.00 0.00 O ATOM 707 CB SER A 51 68.207 -6.484 17.215 1.00 0.00 C ATOM 708 OG SER A 51 68.339 -6.094 18.575 1.00 0.00 O ATOM 0 H SER A 51 68.162 -6.686 14.762 1.00 0.00 H new ATOM 0 HA SER A 51 67.436 -4.510 16.682 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.295 -7.066 17.078 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.040 -7.125 16.926 1.00 0.00 H new ATOM 0 HG SER A 51 68.360 -6.892 19.144 1.00 0.00 H new ATOM 714 N ILE A 52 69.567 -3.281 16.737 1.00 0.00 N ATOM 715 CA ILE A 52 70.861 -2.525 16.804 1.00 0.00 C ATOM 716 C ILE A 52 70.986 -1.854 18.181 1.00 0.00 C ATOM 717 O ILE A 52 70.070 -1.202 18.646 1.00 0.00 O ATOM 718 CB ILE A 52 70.793 -1.475 15.675 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.620 -2.166 14.314 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.090 -0.654 15.641 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.218 -1.132 13.260 1.00 0.00 C ATOM 0 H ILE A 52 68.745 -2.745 17.015 1.00 0.00 H new ATOM 0 HA ILE A 52 71.730 -3.171 16.678 1.00 0.00 H new ATOM 0 HB ILE A 52 69.942 -0.822 15.869 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.550 -2.655 14.022 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.859 -2.944 14.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 72.032 0.084 14.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.224 -0.145 16.596 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.936 -1.318 15.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.096 -1.624 12.295 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.277 -0.664 13.550 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.994 -0.370 13.183 1.00 0.00 H new ATOM 733 N LEU A 53 72.124 -2.015 18.831 1.00 0.00 N ATOM 734 CA LEU A 53 72.393 -1.351 20.160 1.00 0.00 C ATOM 735 C LEU A 53 71.263 -1.614 21.169 1.00 0.00 C ATOM 736 O LEU A 53 70.965 -0.779 22.005 1.00 0.00 O ATOM 737 CB LEU A 53 72.511 0.150 19.859 1.00 0.00 C ATOM 738 CG LEU A 53 73.747 0.405 18.993 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.699 1.833 18.446 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.009 0.228 19.840 1.00 0.00 C ATOM 0 H LEU A 53 72.894 -2.591 18.489 1.00 0.00 H new ATOM 0 HA LEU A 53 73.300 -1.749 20.616 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.616 0.499 19.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.584 0.713 20.789 1.00 0.00 H new ATOM 0 HG LEU A 53 73.762 -0.303 18.164 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.579 2.016 17.829 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.800 1.962 17.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.684 2.540 19.275 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.889 0.410 19.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.994 0.936 20.668 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.044 -0.788 20.232 1.00 0.00 H new ATOM 752 N GLY A 54 70.641 -2.769 21.086 1.00 0.00 N ATOM 753 CA GLY A 54 69.579 -3.147 22.071 1.00 0.00 C ATOM 754 C GLY A 54 68.257 -2.433 21.746 1.00 0.00 C ATOM 755 O GLY A 54 67.425 -2.260 22.620 1.00 0.00 O ATOM 0 H GLY A 54 70.827 -3.471 20.370 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.429 -4.226 22.055 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.901 -2.885 23.079 1.00 0.00 H new ATOM 759 N LYS A 55 68.055 -2.022 20.507 1.00 0.00 N ATOM 760 CA LYS A 55 66.772 -1.355 20.120 1.00 0.00 C ATOM 761 C LYS A 55 66.289 -1.891 18.769 1.00 0.00 C ATOM 762 O LYS A 55 67.037 -1.912 17.807 1.00 0.00 O ATOM 763 CB LYS A 55 67.113 0.132 20.016 1.00 0.00 C ATOM 764 CG LYS A 55 67.430 0.684 21.408 1.00 0.00 C ATOM 765 CD LYS A 55 67.655 2.195 21.320 1.00 0.00 C ATOM 766 CE LYS A 55 68.054 2.732 22.696 1.00 0.00 C ATOM 767 NZ LYS A 55 66.771 2.866 23.442 1.00 0.00 N ATOM 0 H LYS A 55 68.730 -2.123 19.749 1.00 0.00 H new ATOM 0 HA LYS A 55 65.975 -1.539 20.841 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.967 0.274 19.354 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.277 0.678 19.579 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.610 0.467 22.092 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.318 0.196 21.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 68.435 2.415 20.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.747 2.689 20.974 1.00 0.00 H new ATOM 0 HE2 LYS A 55 68.737 2.050 23.203 1.00 0.00 H new ATOM 0 HE3 LYS A 55 68.565 3.691 22.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 66.523 3.872 23.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 66.017 2.367 22.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.876 2.453 24.391 1.00 0.00 H new ATOM 781 N GLU A 56 65.049 -2.322 18.700 1.00 0.00 N ATOM 782 CA GLU A 56 64.502 -2.882 17.421 1.00 0.00 C ATOM 783 C GLU A 56 64.087 -1.749 16.479 1.00 0.00 C ATOM 784 O GLU A 56 63.399 -0.826 16.879 1.00 0.00 O ATOM 785 CB GLU A 56 63.280 -3.715 17.823 1.00 0.00 C ATOM 786 CG GLU A 56 62.797 -4.532 16.623 1.00 0.00 C ATOM 787 CD GLU A 56 61.511 -5.274 16.994 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.474 -5.857 18.065 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.586 -5.249 16.198 1.00 0.00 O ATOM 0 H GLU A 56 64.390 -2.309 19.479 1.00 0.00 H new ATOM 0 HA GLU A 56 65.244 -3.483 16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.536 -4.379 18.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.482 -3.061 18.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.618 -3.876 15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.566 -5.243 16.321 1.00 0.00 H new ATOM 796 N VAL A 57 64.503 -1.819 15.233 1.00 0.00 N ATOM 797 CA VAL A 57 64.014 -0.849 14.200 1.00 0.00 C ATOM 798 C VAL A 57 63.472 -1.615 12.982 1.00 0.00 C ATOM 799 O VAL A 57 64.121 -2.511 12.471 1.00 0.00 O ATOM 800 CB VAL A 57 65.236 0.026 13.846 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.376 -0.820 13.257 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.830 1.100 12.830 1.00 0.00 C ATOM 0 H VAL A 57 65.166 -2.513 14.887 1.00 0.00 H new ATOM 0 HA VAL A 57 63.193 -0.228 14.557 1.00 0.00 H new ATOM 0 HB VAL A 57 65.590 0.495 14.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.222 -0.175 13.018 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.686 -1.570 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.030 -1.316 12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.696 1.714 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.456 0.622 11.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.049 1.729 13.258 1.00 0.00 H new ATOM 812 N LYS A 58 62.289 -1.263 12.531 1.00 0.00 N ATOM 813 CA LYS A 58 61.710 -1.904 11.308 1.00 0.00 C ATOM 814 C LYS A 58 62.038 -1.067 10.070 1.00 0.00 C ATOM 815 O LYS A 58 61.825 0.132 10.056 1.00 0.00 O ATOM 816 CB LYS A 58 60.198 -1.933 11.547 1.00 0.00 C ATOM 817 CG LYS A 58 59.877 -2.902 12.686 1.00 0.00 C ATOM 818 CD LYS A 58 58.360 -3.030 12.836 1.00 0.00 C ATOM 819 CE LYS A 58 58.038 -3.915 14.042 1.00 0.00 C ATOM 820 NZ LYS A 58 56.694 -4.488 13.748 1.00 0.00 N ATOM 0 H LYS A 58 61.697 -0.553 12.962 1.00 0.00 H new ATOM 0 HA LYS A 58 62.113 -2.902 11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.840 -0.934 11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.682 -2.241 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.316 -3.878 12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.316 -2.544 13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.912 -2.045 12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.930 -3.459 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.784 -4.700 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.027 -3.336 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.402 -5.108 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.004 -3.717 13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.737 -5.039 12.867 1.00 0.00 H new ATOM 834 N PHE A 59 62.554 -1.697 9.037 1.00 0.00 N ATOM 835 CA PHE A 59 62.843 -0.975 7.761 1.00 0.00 C ATOM 836 C PHE A 59 61.966 -1.529 6.635 1.00 0.00 C ATOM 837 O PHE A 59 61.876 -2.730 6.452 1.00 0.00 O ATOM 838 CB PHE A 59 64.318 -1.253 7.468 1.00 0.00 C ATOM 839 CG PHE A 59 65.265 -0.660 8.486 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.166 0.722 8.837 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.263 -1.482 9.095 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.064 1.283 9.797 1.00 0.00 C ATOM 843 CE2 PHE A 59 67.162 -0.922 10.056 1.00 0.00 C ATOM 844 CZ PHE A 59 67.062 0.460 10.407 1.00 0.00 C ATOM 0 H PHE A 59 62.788 -2.690 9.028 1.00 0.00 H new ATOM 0 HA PHE A 59 62.637 0.093 7.837 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.473 -2.331 7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.564 -0.857 6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.412 1.343 8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.338 -2.526 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 59 65.989 2.327 10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.916 -1.543 10.516 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.740 0.883 11.133 1.00 0.00 H new ATOM 854 N LYS A 60 61.325 -0.657 5.889 1.00 0.00 N ATOM 855 CA LYS A 60 60.574 -1.095 4.673 1.00 0.00 C ATOM 856 C LYS A 60 61.365 -0.736 3.413 1.00 0.00 C ATOM 857 O LYS A 60 61.976 0.318 3.342 1.00 0.00 O ATOM 858 CB LYS A 60 59.254 -0.322 4.715 1.00 0.00 C ATOM 859 CG LYS A 60 58.310 -0.873 3.642 1.00 0.00 C ATOM 860 CD LYS A 60 57.008 -0.070 3.636 1.00 0.00 C ATOM 861 CE LYS A 60 56.157 -0.478 2.429 1.00 0.00 C ATOM 862 NZ LYS A 60 56.627 0.396 1.318 1.00 0.00 N ATOM 0 H LYS A 60 61.292 0.345 6.075 1.00 0.00 H new ATOM 0 HA LYS A 60 60.411 -2.173 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.797 -0.414 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.435 0.739 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.786 -0.819 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.099 -1.925 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.456 -0.247 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.227 0.997 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.293 -1.532 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.095 -0.331 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 56.345 -0.019 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.202 1.340 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 57.663 0.477 1.355 1.00 0.00 H new ATOM 876 N VAL A 61 61.355 -1.605 2.428 1.00 0.00 N ATOM 877 CA VAL A 61 62.083 -1.324 1.147 1.00 0.00 C ATOM 878 C VAL A 61 61.186 -0.474 0.237 1.00 0.00 C ATOM 879 O VAL A 61 60.146 -0.927 -0.207 1.00 0.00 O ATOM 880 CB VAL A 61 62.378 -2.699 0.512 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.164 -2.522 -0.792 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.214 -3.556 1.472 1.00 0.00 C ATOM 0 H VAL A 61 60.871 -2.502 2.457 1.00 0.00 H new ATOM 0 HA VAL A 61 63.009 -0.771 1.306 1.00 0.00 H new ATOM 0 HB VAL A 61 61.427 -3.191 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.366 -3.499 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.579 -1.924 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.107 -2.016 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.416 -4.524 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.156 -3.051 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.664 -3.703 2.402 1.00 0.00 H new ATOM 892 N VAL A 62 61.595 0.744 -0.037 1.00 0.00 N ATOM 893 CA VAL A 62 60.726 1.690 -0.813 1.00 0.00 C ATOM 894 C VAL A 62 60.831 1.357 -2.305 1.00 0.00 C ATOM 895 O VAL A 62 59.836 1.336 -3.010 1.00 0.00 O ATOM 896 CB VAL A 62 61.264 3.108 -0.525 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.408 4.157 -1.246 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.217 3.396 0.980 1.00 0.00 C ATOM 0 H VAL A 62 62.498 1.126 0.245 1.00 0.00 H new ATOM 0 HA VAL A 62 59.676 1.615 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 62 62.293 3.159 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.798 5.153 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.439 3.976 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.378 4.089 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.599 4.399 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.188 3.327 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.831 2.667 1.509 1.00 0.00 H new ATOM 908 N GLN A 63 62.031 1.099 -2.780 1.00 0.00 N ATOM 909 CA GLN A 63 62.227 0.763 -4.226 1.00 0.00 C ATOM 910 C GLN A 63 63.606 0.134 -4.449 1.00 0.00 C ATOM 911 O GLN A 63 64.610 0.653 -3.994 1.00 0.00 O ATOM 912 CB GLN A 63 62.124 2.097 -4.970 1.00 0.00 C ATOM 913 CG GLN A 63 61.957 1.835 -6.468 1.00 0.00 C ATOM 914 CD GLN A 63 61.410 3.091 -7.149 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.873 4.185 -6.892 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.437 2.980 -8.011 1.00 0.00 N ATOM 0 H GLN A 63 62.885 1.108 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 63 61.489 0.042 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.277 2.671 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.018 2.695 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.915 1.558 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.278 0.997 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.049 2.062 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.065 3.812 -8.470 1.00 0.00 H new ATOM 925 N ALA A 64 63.646 -0.980 -5.146 1.00 0.00 N ATOM 926 CA ALA A 64 64.950 -1.582 -5.561 1.00 0.00 C ATOM 927 C ALA A 64 65.206 -1.301 -7.045 1.00 0.00 C ATOM 928 O ALA A 64 64.313 -1.423 -7.864 1.00 0.00 O ATOM 929 CB ALA A 64 64.787 -3.085 -5.320 1.00 0.00 C ATOM 0 H ALA A 64 62.821 -1.500 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 64 65.793 -1.171 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.705 -3.600 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.579 -3.264 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.960 -3.462 -5.922 1.00 0.00 H new ATOM 935 N TYR A 65 66.417 -0.923 -7.387 1.00 0.00 N ATOM 936 CA TYR A 65 66.761 -0.635 -8.815 1.00 0.00 C ATOM 937 C TYR A 65 68.043 -1.397 -9.216 1.00 0.00 C ATOM 938 O TYR A 65 69.069 -1.164 -8.610 1.00 0.00 O ATOM 939 CB TYR A 65 67.008 0.876 -8.858 1.00 0.00 C ATOM 940 CG TYR A 65 65.755 1.688 -9.079 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.887 1.384 -10.174 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.435 2.764 -8.193 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.702 2.156 -10.384 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.250 3.535 -8.403 1.00 0.00 C ATOM 945 CZ TYR A 65 63.384 3.231 -9.498 1.00 0.00 C ATOM 946 OH TYR A 65 62.240 3.975 -9.701 1.00 0.00 O ATOM 0 H TYR A 65 67.188 -0.801 -6.730 1.00 0.00 H new ATOM 0 HA TYR A 65 65.975 -0.945 -9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.471 1.187 -7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.719 1.097 -9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.127 0.571 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.089 2.994 -7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.048 1.927 -11.212 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.009 4.348 -7.734 1.00 0.00 H new ATOM 0 HH TYR A 65 62.172 4.666 -9.009 1.00 0.00 H new ATOM 956 N PRO A 66 67.996 -2.280 -10.208 1.00 0.00 N ATOM 957 CA PRO A 66 66.736 -2.886 -10.756 1.00 0.00 C ATOM 958 C PRO A 66 66.154 -3.892 -9.758 1.00 0.00 C ATOM 959 O PRO A 66 66.836 -4.323 -8.847 1.00 0.00 O ATOM 960 CB PRO A 66 67.207 -3.598 -12.023 1.00 0.00 C ATOM 961 CG PRO A 66 68.636 -3.923 -11.755 1.00 0.00 C ATOM 962 CD PRO A 66 69.178 -2.799 -10.916 1.00 0.00 C ATOM 0 HA PRO A 66 65.953 -2.152 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.623 -4.499 -12.213 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.102 -2.959 -12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.726 -4.876 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.194 -4.016 -12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.938 -3.152 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.644 -2.030 -11.532 1.00 0.00 H new ATOM 970 N SER A 67 64.904 -4.263 -9.928 1.00 0.00 N ATOM 971 CA SER A 67 64.272 -5.260 -9.008 1.00 0.00 C ATOM 972 C SER A 67 64.216 -6.646 -9.687 1.00 0.00 C ATOM 973 O SER A 67 64.007 -6.709 -10.881 1.00 0.00 O ATOM 974 CB SER A 67 62.855 -4.736 -8.768 1.00 0.00 C ATOM 975 OG SER A 67 62.915 -3.540 -8.007 1.00 0.00 O ATOM 0 H SER A 67 64.294 -3.915 -10.668 1.00 0.00 H new ATOM 0 HA SER A 67 64.831 -5.375 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.359 -4.549 -9.720 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.263 -5.485 -8.242 1.00 0.00 H new ATOM 0 HG SER A 67 63.724 -3.041 -8.245 1.00 0.00 H new ATOM 981 N PRO A 68 64.398 -7.728 -8.941 1.00 0.00 N ATOM 982 CA PRO A 68 65.173 -7.745 -7.655 1.00 0.00 C ATOM 983 C PRO A 68 66.670 -7.562 -7.929 1.00 0.00 C ATOM 984 O PRO A 68 67.121 -7.715 -9.051 1.00 0.00 O ATOM 985 CB PRO A 68 64.892 -9.136 -7.087 1.00 0.00 C ATOM 986 CG PRO A 68 64.582 -9.968 -8.284 1.00 0.00 C ATOM 987 CD PRO A 68 63.873 -9.066 -9.255 1.00 0.00 C ATOM 0 HA PRO A 68 64.889 -6.944 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.753 -9.525 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.056 -9.118 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.494 -10.371 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.955 -10.818 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.083 -9.346 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.792 -9.111 -9.126 1.00 0.00 H new ATOM 995 N LEU A 69 67.434 -7.234 -6.909 1.00 0.00 N ATOM 996 CA LEU A 69 68.925 -7.171 -7.052 1.00 0.00 C ATOM 997 C LEU A 69 69.607 -7.701 -5.784 1.00 0.00 C ATOM 998 O LEU A 69 69.024 -7.688 -4.716 1.00 0.00 O ATOM 999 CB LEU A 69 69.263 -5.689 -7.297 1.00 0.00 C ATOM 1000 CG LEU A 69 68.819 -4.807 -6.113 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.946 -4.733 -5.073 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.486 -3.391 -6.610 1.00 0.00 C ATOM 0 H LEU A 69 67.084 -7.006 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 69 69.281 -7.791 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.336 -5.580 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.774 -5.349 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 69 67.931 -5.245 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.629 -4.109 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.174 -5.736 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.836 -4.302 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.173 -2.774 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.369 -2.951 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.679 -3.442 -7.341 1.00 0.00 H new ATOM 1014 N ARG A 70 70.829 -8.166 -5.908 1.00 0.00 N ATOM 1015 CA ARG A 70 71.634 -8.533 -4.700 1.00 0.00 C ATOM 1016 C ARG A 70 72.444 -7.324 -4.227 1.00 0.00 C ATOM 1017 O ARG A 70 72.959 -6.566 -5.030 1.00 0.00 O ATOM 1018 CB ARG A 70 72.564 -9.665 -5.151 1.00 0.00 C ATOM 1019 CG ARG A 70 71.887 -11.018 -4.921 1.00 0.00 C ATOM 1020 CD ARG A 70 72.635 -12.105 -5.701 1.00 0.00 C ATOM 1021 NE ARG A 70 71.777 -13.336 -5.607 1.00 0.00 N ATOM 1022 CZ ARG A 70 71.854 -14.319 -6.489 1.00 0.00 C ATOM 1023 NH1 ARG A 70 72.698 -14.303 -7.499 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.068 -15.351 -6.346 1.00 0.00 N ATOM 0 H ARG A 70 71.305 -8.307 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 70 71.004 -8.845 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.810 -9.546 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.502 -9.619 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.882 -11.257 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.847 -10.975 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.784 -11.810 -6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.623 -12.283 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 70 71.113 -13.416 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.327 -13.510 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 70 72.723 -15.083 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.412 -15.388 -5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.110 -16.121 -7.014 1.00 0.00 H new ATOM 1038 N VAL A 71 72.553 -7.149 -2.929 1.00 0.00 N ATOM 1039 CA VAL A 71 73.279 -5.959 -2.372 1.00 0.00 C ATOM 1040 C VAL A 71 74.789 -6.235 -2.387 1.00 0.00 C ATOM 1041 O VAL A 71 75.235 -7.273 -1.934 1.00 0.00 O ATOM 1042 CB VAL A 71 72.756 -5.778 -0.930 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.429 -4.568 -0.267 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.241 -5.542 -0.946 1.00 0.00 C ATOM 0 H VAL A 71 72.168 -7.782 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 71 73.108 -5.055 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 71 72.987 -6.683 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.051 -4.453 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.508 -4.723 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.207 -3.668 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.882 -5.416 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.019 -4.644 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.744 -6.398 -1.402 1.00 0.00 H new ATOM 1054 N GLU A 72 75.561 -5.308 -2.908 1.00 0.00 N ATOM 1055 CA GLU A 72 77.043 -5.493 -2.991 1.00 0.00 C ATOM 1056 C GLU A 72 77.758 -4.251 -2.450 1.00 0.00 C ATOM 1057 O GLU A 72 77.149 -3.209 -2.277 1.00 0.00 O ATOM 1058 CB GLU A 72 77.331 -5.676 -4.482 1.00 0.00 C ATOM 1059 CG GLU A 72 78.787 -6.106 -4.678 1.00 0.00 C ATOM 1060 CD GLU A 72 79.039 -6.401 -6.157 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.215 -7.073 -6.757 1.00 0.00 O ATOM 1062 OE2 GLU A 72 80.054 -5.953 -6.666 1.00 0.00 O ATOM 0 H GLU A 72 75.221 -4.422 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 72 77.392 -6.341 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.661 -6.426 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.142 -4.745 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.459 -5.320 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.999 -6.991 -4.079 1.00 0.00 H new ATOM 1069 N ASP A 73 79.044 -4.360 -2.184 1.00 0.00 N ATOM 1070 CA ASP A 73 79.836 -3.180 -1.680 1.00 0.00 C ATOM 1071 C ASP A 73 79.794 -2.015 -2.680 1.00 0.00 C ATOM 1072 O ASP A 73 79.901 -0.863 -2.296 1.00 0.00 O ATOM 1073 CB ASP A 73 81.276 -3.681 -1.520 1.00 0.00 C ATOM 1074 CG ASP A 73 81.333 -4.735 -0.412 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.739 -4.506 0.628 1.00 0.00 O ATOM 1076 OD2 ASP A 73 81.974 -5.752 -0.622 1.00 0.00 O ATOM 0 H ASP A 73 79.583 -5.219 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 73 79.424 -2.807 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.630 -4.106 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.937 -2.848 -1.278 1.00 0.00 H new ATOM 1081 N ARG A 74 79.640 -2.314 -3.953 1.00 0.00 N ATOM 1082 CA ARG A 74 79.521 -1.234 -4.988 1.00 0.00 C ATOM 1083 C ARG A 74 78.087 -0.683 -5.061 1.00 0.00 C ATOM 1084 O ARG A 74 77.877 0.415 -5.548 1.00 0.00 O ATOM 1085 CB ARG A 74 79.904 -1.892 -6.318 1.00 0.00 C ATOM 1086 CG ARG A 74 81.384 -2.280 -6.293 1.00 0.00 C ATOM 1087 CD ARG A 74 81.790 -2.833 -7.664 1.00 0.00 C ATOM 1088 NE ARG A 74 83.189 -3.355 -7.494 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.014 -3.508 -8.517 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.667 -3.234 -9.757 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.217 -3.959 -8.289 1.00 0.00 N ATOM 0 H ARG A 74 79.592 -3.265 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 74 80.166 -0.389 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.289 -2.776 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.712 -1.206 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.994 -1.412 -6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.562 -3.028 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.113 -3.625 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.752 -2.055 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 74 83.513 -3.600 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.729 -2.889 -9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 74 84.336 -3.367 -10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.505 -4.186 -7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.870 -4.085 -9.063 1.00 0.00 H new ATOM 1105 N THR A 75 77.108 -1.430 -4.587 1.00 0.00 N ATOM 1106 CA THR A 75 75.692 -0.930 -4.597 1.00 0.00 C ATOM 1107 C THR A 75 75.533 0.219 -3.596 1.00 0.00 C ATOM 1108 O THR A 75 75.942 0.110 -2.453 1.00 0.00 O ATOM 1109 CB THR A 75 74.818 -2.121 -4.183 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.161 -3.252 -4.972 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.342 -1.779 -4.397 1.00 0.00 C ATOM 0 H THR A 75 77.231 -2.363 -4.195 1.00 0.00 H new ATOM 0 HA THR A 75 75.408 -0.551 -5.578 1.00 0.00 H new ATOM 0 HB THR A 75 74.986 -2.344 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.825 -3.129 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.725 -2.628 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.078 -0.911 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.170 -1.554 -5.450 1.00 0.00 H new ATOM 1119 N LYS A 76 74.941 1.312 -4.027 1.00 0.00 N ATOM 1120 CA LYS A 76 74.749 2.491 -3.122 1.00 0.00 C ATOM 1121 C LYS A 76 73.411 2.379 -2.387 1.00 0.00 C ATOM 1122 O LYS A 76 72.414 1.986 -2.967 1.00 0.00 O ATOM 1123 CB LYS A 76 74.749 3.715 -4.045 1.00 0.00 C ATOM 1124 CG LYS A 76 76.132 3.885 -4.679 1.00 0.00 C ATOM 1125 CD LYS A 76 76.113 5.076 -5.639 1.00 0.00 C ATOM 1126 CE LYS A 76 77.250 4.933 -6.652 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.172 6.162 -7.491 1.00 0.00 N ATOM 0 H LYS A 76 74.581 1.436 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 76 75.529 2.555 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.994 3.596 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.486 4.609 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.882 4.042 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.412 2.978 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.155 5.124 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.222 6.007 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.216 4.856 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.130 4.034 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.922 6.139 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.244 6.205 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.296 7.001 -6.890 1.00 0.00 H new ATOM 1141 N ILE A 77 73.385 2.720 -1.118 1.00 0.00 N ATOM 1142 CA ILE A 77 72.112 2.653 -0.327 1.00 0.00 C ATOM 1143 C ILE A 77 71.844 4.019 0.321 1.00 0.00 C ATOM 1144 O ILE A 77 72.743 4.645 0.852 1.00 0.00 O ATOM 1145 CB ILE A 77 72.339 1.554 0.731 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.601 0.210 0.035 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.096 1.407 1.623 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.142 -0.800 1.049 1.00 0.00 C ATOM 0 H ILE A 77 74.197 3.044 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 77 71.243 2.418 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 77 73.197 1.836 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.680 -0.165 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.316 0.343 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.271 0.628 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.897 2.352 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.237 1.137 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.327 -1.752 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.074 -0.426 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.412 -0.943 1.846 1.00 0.00 H new ATOM 1160 N THR A 78 70.609 4.469 0.273 1.00 0.00 N ATOM 1161 CA THR A 78 70.263 5.828 0.795 1.00 0.00 C ATOM 1162 C THR A 78 69.071 5.745 1.753 1.00 0.00 C ATOM 1163 O THR A 78 68.175 4.938 1.567 1.00 0.00 O ATOM 1164 CB THR A 78 69.894 6.642 -0.447 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.913 6.494 -1.427 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.756 8.118 -0.073 1.00 0.00 C ATOM 0 H THR A 78 69.821 3.946 -0.109 1.00 0.00 H new ATOM 0 HA THR A 78 71.085 6.277 1.353 1.00 0.00 H new ATOM 0 HB THR A 78 68.946 6.282 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.678 7.013 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.493 8.695 -0.960 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.975 8.231 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.702 8.481 0.329 1.00 0.00 H new ATOM 1174 N LEU A 79 69.063 6.574 2.773 1.00 0.00 N ATOM 1175 CA LEU A 79 67.895 6.639 3.706 1.00 0.00 C ATOM 1176 C LEU A 79 66.992 7.820 3.339 1.00 0.00 C ATOM 1177 O LEU A 79 67.452 8.943 3.226 1.00 0.00 O ATOM 1178 CB LEU A 79 68.506 6.841 5.094 1.00 0.00 C ATOM 1179 CG LEU A 79 69.268 5.582 5.509 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.132 5.887 6.733 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.270 4.474 5.854 1.00 0.00 C ATOM 0 H LEU A 79 69.825 7.214 2.999 1.00 0.00 H new ATOM 0 HA LEU A 79 67.279 5.741 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.179 7.699 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.722 7.059 5.819 1.00 0.00 H new ATOM 0 HG LEU A 79 69.906 5.256 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.675 4.989 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.843 6.677 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.495 6.213 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.812 3.576 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.633 4.801 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.654 4.255 4.982 1.00 0.00 H new ATOM 1193 N VAL A 80 65.716 7.567 3.157 1.00 0.00 N ATOM 1194 CA VAL A 80 64.758 8.658 2.787 1.00 0.00 C ATOM 1195 C VAL A 80 64.103 9.217 4.058 1.00 0.00 C ATOM 1196 O VAL A 80 63.754 8.473 4.958 1.00 0.00 O ATOM 1197 CB VAL A 80 63.710 7.996 1.866 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.660 9.025 1.425 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.394 7.434 0.613 1.00 0.00 C ATOM 0 H VAL A 80 65.295 6.643 3.250 1.00 0.00 H new ATOM 0 HA VAL A 80 65.248 9.492 2.284 1.00 0.00 H new ATOM 0 HB VAL A 80 63.227 7.193 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.928 8.543 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.156 9.430 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.149 9.834 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.648 6.969 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.886 8.243 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.135 6.690 0.906 1.00 0.00 H new ATOM 1209 N THR A 81 63.943 10.519 4.124 1.00 0.00 N ATOM 1210 CA THR A 81 63.175 11.143 5.247 1.00 0.00 C ATOM 1211 C THR A 81 62.434 12.387 4.751 1.00 0.00 C ATOM 1212 O THR A 81 62.775 12.946 3.722 1.00 0.00 O ATOM 1213 CB THR A 81 64.222 11.526 6.299 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.211 12.362 5.710 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.877 10.262 6.865 1.00 0.00 C ATOM 0 H THR A 81 64.315 11.180 3.442 1.00 0.00 H new ATOM 0 HA THR A 81 62.426 10.464 5.655 1.00 0.00 H new ATOM 0 HB THR A 81 63.734 12.067 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.878 12.606 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.620 10.541 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.116 9.634 7.327 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.362 9.711 6.059 1.00 0.00 H new ATOM 1223 N HIS A 82 61.426 12.817 5.479 1.00 0.00 N ATOM 1224 CA HIS A 82 60.640 14.023 5.073 1.00 0.00 C ATOM 1225 C HIS A 82 60.534 15.012 6.251 1.00 0.00 C ATOM 1226 O HIS A 82 59.669 14.850 7.095 1.00 0.00 O ATOM 1227 CB HIS A 82 59.259 13.482 4.692 1.00 0.00 C ATOM 1228 CG HIS A 82 58.442 14.446 3.875 1.00 0.00 C ATOM 1229 ND1 HIS A 82 58.913 14.999 2.695 1.00 0.00 N ATOM 1230 CD2 HIS A 82 57.184 14.966 4.057 1.00 0.00 C ATOM 1231 CE1 HIS A 82 57.952 15.810 2.216 1.00 0.00 C ATOM 1232 NE2 HIS A 82 56.877 15.827 3.008 1.00 0.00 N ATOM 0 H HIS A 82 61.114 12.377 6.345 1.00 0.00 H new ATOM 0 HA HIS A 82 61.106 14.565 4.250 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.382 12.556 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 82 58.711 13.233 5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 82 56.532 14.741 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 82 58.040 16.378 1.302 1.00 0.00 H new ATOM 0 HE2 HIS A 82 56.016 16.357 2.873 1.00 0.00 H new ATOM 1240 N PRO A 83 61.413 16.007 6.288 1.00 0.00 N ATOM 1241 CA PRO A 83 61.355 17.024 7.377 1.00 0.00 C ATOM 1242 C PRO A 83 60.103 17.895 7.224 1.00 0.00 C ATOM 1243 O PRO A 83 59.765 18.219 6.097 1.00 0.00 O ATOM 1244 CB PRO A 83 62.627 17.853 7.181 1.00 0.00 C ATOM 1245 CG PRO A 83 63.008 17.653 5.752 1.00 0.00 C ATOM 1246 CD PRO A 83 62.525 16.287 5.355 1.00 0.00 C ATOM 1247 OXT PRO A 83 59.506 18.222 8.236 1.00 0.00 O ATOM 0 HA PRO A 83 61.300 16.580 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 83 62.448 18.906 7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 83 63.421 17.521 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 83 62.557 18.420 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 83 64.088 17.732 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 83 62.188 16.270 4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 83 63.317 15.543 5.445 1.00 0.00 H new TER 1255 PRO A 83