USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 813 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -3.81 K(o=-3.8,f=-1) USER MOD Set 2.1: A 25 SER OG : rot 39:sc= 0.903 USER MOD Set 2.2: A 84 THR OG1 : rot -52:sc= 0.678 USER MOD Single : A 1 SER N :NH3+ -150:sc= -0.0144 (180deg=-1.03) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.644 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0427 USER MOD Single : A 19 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.23) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.17 K(o=1.2,f=-0.04) USER MOD Single : A 33 SER OG : rot 70:sc= -0.846 USER MOD Single : A 35 MET CE :methyl -143:sc= -1.05 (180deg=-3.63) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -115:sc= -1.65 (180deg=-4.21!) USER MOD Single : A 40 SER OG : rot -59:sc= 1.24 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.922 K(o=-0.92,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= -2.63 K(o=-2.6,f=-7.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -107:sc= 0.114 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.036) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -86:sc= 0.661 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.29! C(o=-4.3!,f=-3.1!) USER MOD Single : A 105 MET CE :methyl 177:sc= -0.0469 (180deg=-0.0834) USER MOD Single : A 107 GLN : amide:sc= -5.97! C(o=-6!,f=-2.9!) USER MOD Single : A 108 SER OG : rot -53:sc= 0.0528 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.306 -0.877 -0.429 1.00 0.00 N ATOM 2 CA SER A 1 1.441 -0.763 -1.877 1.00 0.00 C ATOM 3 C SER A 1 1.596 -2.138 -2.518 1.00 0.00 C ATOM 4 O SER A 1 1.050 -2.401 -3.590 1.00 0.00 O ATOM 5 CB SER A 1 2.643 0.116 -2.229 1.00 0.00 C ATOM 6 OG SER A 1 2.481 1.430 -1.725 1.00 0.00 O ATOM 0 H1 SER A 1 0.725 -0.092 -0.072 1.00 0.00 H new ATOM 0 H2 SER A 1 0.850 -1.781 -0.193 1.00 0.00 H new ATOM 0 H3 SER A 1 2.247 -0.839 0.011 1.00 0.00 H new ATOM 0 HA SER A 1 0.534 -0.301 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.552 -0.324 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.767 0.151 -3.311 1.00 0.00 H new ATOM 0 HG SER A 1 3.263 1.970 -1.962 1.00 0.00 H new ATOM 12 N LEU A 2 2.345 -3.012 -1.854 1.00 0.00 N ATOM 13 CA LEU A 2 2.573 -4.362 -2.358 1.00 0.00 C ATOM 14 C LEU A 2 1.285 -5.179 -2.328 1.00 0.00 C ATOM 15 O LEU A 2 0.693 -5.464 -3.370 1.00 0.00 O ATOM 16 CB LEU A 2 3.653 -5.061 -1.531 1.00 0.00 C ATOM 17 CG LEU A 2 4.053 -6.462 -1.994 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.160 -6.385 -3.034 1.00 0.00 C ATOM 19 CD2 LEU A 2 4.489 -7.311 -0.810 1.00 0.00 C ATOM 0 H LEU A 2 2.804 -2.810 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 2 2.909 -4.285 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.544 -4.433 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.307 -5.126 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 2 3.184 -6.934 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.431 -7.392 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.811 -5.815 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.032 -5.893 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.770 -8.305 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.344 -6.843 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.666 -7.395 -0.100 1.00 0.00 H new ATOM 31 N THR A 3 0.855 -5.553 -1.127 1.00 0.00 N ATOM 32 CA THR A 3 -0.362 -6.336 -0.961 1.00 0.00 C ATOM 33 C THR A 3 -1.552 -5.441 -0.633 1.00 0.00 C ATOM 34 O THR A 3 -2.447 -5.831 0.117 1.00 0.00 O ATOM 35 CB THR A 3 -0.205 -7.390 0.152 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.282 -6.761 1.436 1.00 0.00 O ATOM 37 CG2 THR A 3 1.121 -8.123 0.019 1.00 0.00 C ATOM 0 H THR A 3 1.332 -5.326 -0.255 1.00 0.00 H new ATOM 0 HA THR A 3 -0.543 -6.843 -1.909 1.00 0.00 H new ATOM 0 HB THR A 3 -1.014 -8.114 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.600 -6.779 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.210 -8.862 0.815 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.164 -8.624 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.941 -7.409 0.094 1.00 0.00 H new ATOM 45 N ASP A 4 -1.555 -4.239 -1.199 1.00 0.00 N ATOM 46 CA ASP A 4 -2.637 -3.288 -0.968 1.00 0.00 C ATOM 47 C ASP A 4 -3.871 -3.660 -1.783 1.00 0.00 C ATOM 48 O ASP A 4 -4.920 -3.985 -1.226 1.00 0.00 O ATOM 49 CB ASP A 4 -2.183 -1.871 -1.323 1.00 0.00 C ATOM 50 CG ASP A 4 -3.197 -0.820 -0.916 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.363 -0.597 0.301 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.824 -0.220 -1.814 1.00 0.00 O ATOM 0 H ASP A 4 -0.821 -3.900 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.899 -3.323 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.232 -1.664 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.008 -1.807 -2.397 1.00 0.00 H new ATOM 57 N ILE A 5 -3.739 -3.609 -3.104 1.00 0.00 N ATOM 58 CA ILE A 5 -4.843 -3.940 -3.996 1.00 0.00 C ATOM 59 C ILE A 5 -5.143 -5.435 -3.967 1.00 0.00 C ATOM 60 O ILE A 5 -6.191 -5.879 -4.440 1.00 0.00 O ATOM 61 CB ILE A 5 -4.544 -3.516 -5.445 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.819 -3.018 -6.128 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.939 -4.675 -6.223 1.00 0.00 C ATOM 64 CD1 ILE A 5 -5.743 -1.574 -6.573 1.00 0.00 C ATOM 0 H ILE A 5 -2.878 -3.341 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.713 -3.390 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.822 -2.700 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.026 -3.646 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.658 -3.134 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.733 -4.359 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.010 -4.988 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.640 -5.510 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.682 -1.290 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.567 -0.935 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.925 -1.455 -7.284 1.00 0.00 H new ATOM 76 N LEU A 6 -4.218 -6.208 -3.408 1.00 0.00 N ATOM 77 CA LEU A 6 -4.384 -7.654 -3.316 1.00 0.00 C ATOM 78 C LEU A 6 -4.302 -8.120 -1.865 1.00 0.00 C ATOM 79 O LEU A 6 -4.281 -7.306 -0.942 1.00 0.00 O ATOM 80 CB LEU A 6 -3.317 -8.364 -4.152 1.00 0.00 C ATOM 81 CG LEU A 6 -3.834 -9.285 -5.257 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.083 -8.499 -6.534 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.850 -10.419 -5.510 1.00 0.00 C ATOM 0 H LEU A 6 -3.346 -5.858 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.370 -7.907 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.677 -7.608 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.689 -8.951 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.780 -9.717 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.451 -9.171 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.825 -7.723 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.152 -8.038 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.234 -11.065 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.889 -10.005 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.722 -11.000 -4.597 1.00 0.00 H new ATOM 95 N SER A 7 -4.255 -9.434 -1.673 1.00 0.00 N ATOM 96 CA SER A 7 -4.178 -10.008 -0.335 1.00 0.00 C ATOM 97 C SER A 7 -2.766 -10.504 -0.037 1.00 0.00 C ATOM 98 O SER A 7 -2.149 -11.213 -0.832 1.00 0.00 O ATOM 99 CB SER A 7 -5.175 -11.160 -0.192 1.00 0.00 C ATOM 100 OG SER A 7 -5.624 -11.283 1.146 1.00 0.00 O ATOM 0 H SER A 7 -4.269 -10.121 -2.427 1.00 0.00 H new ATOM 0 HA SER A 7 -4.430 -9.227 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.027 -10.992 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.707 -12.092 -0.509 1.00 0.00 H new ATOM 0 HG SER A 7 -6.261 -12.025 1.210 1.00 0.00 H new ATOM 106 N PRO A 8 -2.241 -10.122 1.136 1.00 0.00 N ATOM 107 CA PRO A 8 -0.896 -10.515 1.567 1.00 0.00 C ATOM 108 C PRO A 8 -0.805 -12.001 1.899 1.00 0.00 C ATOM 109 O PRO A 8 0.272 -12.594 1.846 1.00 0.00 O ATOM 110 CB PRO A 8 -0.665 -9.672 2.824 1.00 0.00 C ATOM 111 CG PRO A 8 -2.032 -9.383 3.342 1.00 0.00 C ATOM 112 CD PRO A 8 -2.919 -9.276 2.133 1.00 0.00 C ATOM 0 HA PRO A 8 -0.154 -10.352 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.069 -10.213 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.127 -8.753 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.373 -10.176 4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.044 -8.457 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.928 -9.632 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.009 -8.245 1.791 1.00 0.00 H new ATOM 120 N SER A 9 -1.943 -12.597 2.240 1.00 0.00 N ATOM 121 CA SER A 9 -1.991 -14.014 2.583 1.00 0.00 C ATOM 122 C SER A 9 -2.340 -14.857 1.361 1.00 0.00 C ATOM 123 O SER A 9 -2.968 -15.910 1.478 1.00 0.00 O ATOM 124 CB SER A 9 -3.015 -14.256 3.694 1.00 0.00 C ATOM 125 OG SER A 9 -2.671 -15.394 4.465 1.00 0.00 O ATOM 0 H SER A 9 -2.844 -12.121 2.286 1.00 0.00 H new ATOM 0 HA SER A 9 -1.004 -14.311 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.071 -13.379 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.004 -14.394 3.257 1.00 0.00 H new ATOM 0 HG SER A 9 -3.340 -15.526 5.169 1.00 0.00 H new ATOM 131 N ASP A 10 -1.928 -14.388 0.189 1.00 0.00 N ATOM 132 CA ASP A 10 -2.195 -15.098 -1.056 1.00 0.00 C ATOM 133 C ASP A 10 -0.974 -15.070 -1.971 1.00 0.00 C ATOM 134 O ASP A 10 -0.579 -16.095 -2.526 1.00 0.00 O ATOM 135 CB ASP A 10 -3.398 -14.482 -1.772 1.00 0.00 C ATOM 136 CG ASP A 10 -4.695 -14.705 -1.021 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.783 -14.282 0.151 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.624 -15.304 -1.604 1.00 0.00 O ATOM 0 H ASP A 10 -1.407 -13.518 0.075 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.420 -16.136 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.234 -13.412 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.481 -14.911 -2.771 1.00 0.00 H new ATOM 143 N ILE A 11 -0.382 -13.890 -2.122 1.00 0.00 N ATOM 144 CA ILE A 11 0.793 -13.729 -2.969 1.00 0.00 C ATOM 145 C ILE A 11 1.942 -14.609 -2.488 1.00 0.00 C ATOM 146 O ILE A 11 2.838 -14.954 -3.258 1.00 0.00 O ATOM 147 CB ILE A 11 1.265 -12.263 -3.006 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.151 -11.360 -3.538 1.00 0.00 C ATOM 149 CG2 ILE A 11 2.516 -12.131 -3.860 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.001 -10.067 -2.768 1.00 0.00 C ATOM 0 H ILE A 11 -0.697 -13.032 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 11 0.501 -14.033 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 11 1.508 -11.948 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.350 -11.129 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.793 -11.904 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.837 -11.090 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.310 -12.749 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.299 -12.460 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.807 -9.477 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.230 -10.289 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.931 -9.502 -2.821 1.00 0.00 H new ATOM 162 N ALA A 12 1.909 -14.969 -1.209 1.00 0.00 N ATOM 163 CA ALA A 12 2.945 -15.812 -0.625 1.00 0.00 C ATOM 164 C ALA A 12 2.785 -17.263 -1.066 1.00 0.00 C ATOM 165 O ALA A 12 3.765 -17.997 -1.186 1.00 0.00 O ATOM 166 CB ALA A 12 2.914 -15.713 0.893 1.00 0.00 C ATOM 0 H ALA A 12 1.176 -14.690 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 12 3.912 -15.456 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.693 -16.348 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.086 -14.679 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.941 -16.041 1.259 1.00 0.00 H new ATOM 172 N ALA A 13 1.542 -17.671 -1.304 1.00 0.00 N ATOM 173 CA ALA A 13 1.254 -19.034 -1.732 1.00 0.00 C ATOM 174 C ALA A 13 1.957 -19.357 -3.046 1.00 0.00 C ATOM 175 O ALA A 13 2.161 -20.523 -3.381 1.00 0.00 O ATOM 176 CB ALA A 13 -0.247 -19.238 -1.870 1.00 0.00 C ATOM 0 H ALA A 13 0.719 -17.076 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 13 1.633 -19.715 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.447 -20.260 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.729 -19.058 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.642 -18.542 -2.610 1.00 0.00 H new ATOM 182 N ALA A 14 2.324 -18.316 -3.787 1.00 0.00 N ATOM 183 CA ALA A 14 3.005 -18.489 -5.064 1.00 0.00 C ATOM 184 C ALA A 14 4.517 -18.382 -4.899 1.00 0.00 C ATOM 185 O ALA A 14 5.276 -19.091 -5.560 1.00 0.00 O ATOM 186 CB ALA A 14 2.507 -17.463 -6.071 1.00 0.00 C ATOM 0 H ALA A 14 2.161 -17.344 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 14 2.777 -19.487 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.024 -17.604 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.435 -17.590 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.705 -16.459 -5.696 1.00 0.00 H new ATOM 192 N LEU A 15 4.948 -17.490 -4.013 1.00 0.00 N ATOM 193 CA LEU A 15 6.371 -17.289 -3.762 1.00 0.00 C ATOM 194 C LEU A 15 7.023 -18.574 -3.262 1.00 0.00 C ATOM 195 O LEU A 15 8.238 -18.744 -3.359 1.00 0.00 O ATOM 196 CB LEU A 15 6.575 -16.169 -2.740 1.00 0.00 C ATOM 197 CG LEU A 15 6.319 -14.748 -3.242 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.427 -13.750 -2.099 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.292 -14.392 -4.357 1.00 0.00 C ATOM 0 H LEU A 15 4.333 -16.895 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 15 6.844 -17.006 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.919 -16.356 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.599 -16.223 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 15 5.306 -14.702 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.242 -12.744 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.690 -13.992 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.427 -13.797 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.095 -13.377 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.314 -14.456 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.165 -15.088 -5.186 1.00 0.00 H new ATOM 211 N ARG A 16 6.206 -19.477 -2.728 1.00 0.00 N ATOM 212 CA ARG A 16 6.703 -20.747 -2.214 1.00 0.00 C ATOM 213 C ARG A 16 6.501 -21.864 -3.235 1.00 0.00 C ATOM 214 O ARG A 16 7.378 -22.705 -3.431 1.00 0.00 O ATOM 215 CB ARG A 16 5.995 -21.104 -0.905 1.00 0.00 C ATOM 216 CG ARG A 16 6.793 -22.046 -0.019 1.00 0.00 C ATOM 217 CD ARG A 16 6.490 -23.502 -0.338 1.00 0.00 C ATOM 218 NE ARG A 16 5.201 -23.924 0.203 1.00 0.00 N ATOM 219 CZ ARG A 16 4.558 -25.015 -0.197 1.00 0.00 C ATOM 220 NH1 ARG A 16 5.081 -25.790 -1.138 1.00 0.00 N ATOM 221 NH2 ARG A 16 3.389 -25.334 0.343 1.00 0.00 N ATOM 0 H ARG A 16 5.197 -19.352 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 16 7.771 -20.640 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.787 -20.188 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.033 -21.562 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.858 -21.857 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.562 -21.846 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.494 -23.645 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.279 -24.134 0.070 1.00 0.00 H new ATOM 0 HE ARG A 16 4.771 -23.349 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.979 -25.549 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.585 -26.627 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.983 -24.741 1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.897 -26.172 0.035 1.00 0.00 H new ATOM 235 N ASP A 17 5.340 -21.864 -3.881 1.00 0.00 N ATOM 236 CA ASP A 17 5.023 -22.876 -4.882 1.00 0.00 C ATOM 237 C ASP A 17 5.765 -22.603 -6.186 1.00 0.00 C ATOM 238 O ASP A 17 5.716 -23.404 -7.119 1.00 0.00 O ATOM 239 CB ASP A 17 3.515 -22.916 -5.137 1.00 0.00 C ATOM 240 CG ASP A 17 3.051 -24.263 -5.654 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.247 -24.537 -6.856 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.490 -25.043 -4.856 1.00 0.00 O ATOM 0 H ASP A 17 4.603 -21.175 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 17 5.345 -23.844 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.987 -22.683 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.251 -22.143 -5.858 1.00 0.00 H new ATOM 247 N CYS A 18 6.452 -21.467 -6.242 1.00 0.00 N ATOM 248 CA CYS A 18 7.203 -21.086 -7.433 1.00 0.00 C ATOM 249 C CYS A 18 8.611 -20.628 -7.064 1.00 0.00 C ATOM 250 O CYS A 18 9.234 -19.858 -7.794 1.00 0.00 O ATOM 251 CB CYS A 18 6.474 -19.975 -8.189 1.00 0.00 C ATOM 252 SG CYS A 18 4.739 -20.339 -8.544 1.00 0.00 S ATOM 0 H CYS A 18 6.504 -20.794 -5.477 1.00 0.00 H new ATOM 0 HA CYS A 18 7.282 -21.961 -8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.529 -19.056 -7.605 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.994 -19.787 -9.128 1.00 0.00 H new ATOM 0 HG CYS A 18 4.208 -19.340 -9.184 1.00 0.00 H new ATOM 258 N GLN A 19 9.104 -21.106 -5.926 1.00 0.00 N ATOM 259 CA GLN A 19 10.437 -20.744 -5.460 1.00 0.00 C ATOM 260 C GLN A 19 11.510 -21.479 -6.255 1.00 0.00 C ATOM 261 O GLN A 19 12.688 -21.125 -6.201 1.00 0.00 O ATOM 262 CB GLN A 19 10.582 -21.059 -3.970 1.00 0.00 C ATOM 263 CG GLN A 19 11.459 -20.069 -3.221 1.00 0.00 C ATOM 264 CD GLN A 19 10.773 -19.491 -1.999 1.00 0.00 C ATOM 265 OE1 GLN A 19 10.654 -18.273 -1.857 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.317 -20.363 -1.107 1.00 0.00 N ATOM 0 H GLN A 19 8.601 -21.744 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 19 10.569 -19.673 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.593 -21.074 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.000 -22.059 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.381 -20.564 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.741 -19.258 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.437 -21.364 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.847 -20.032 -0.265 1.00 0.00 H new ATOM 275 N ALA A 20 11.096 -22.505 -6.991 1.00 0.00 N ATOM 276 CA ALA A 20 12.022 -23.289 -7.798 1.00 0.00 C ATOM 277 C ALA A 20 12.313 -22.599 -9.126 1.00 0.00 C ATOM 278 O ALA A 20 11.564 -21.735 -9.582 1.00 0.00 O ATOM 279 CB ALA A 20 11.463 -24.684 -8.038 1.00 0.00 C ATOM 0 H ALA A 20 10.125 -22.813 -7.045 1.00 0.00 H new ATOM 0 HA ALA A 20 12.960 -23.374 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.165 -25.258 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.313 -25.185 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.510 -24.609 -8.562 1.00 0.00 H new ATOM 285 N PRO A 21 13.428 -22.986 -9.764 1.00 0.00 N ATOM 286 CA PRO A 21 13.844 -22.416 -11.049 1.00 0.00 C ATOM 287 C PRO A 21 12.927 -22.836 -12.193 1.00 0.00 C ATOM 288 O PRO A 21 12.491 -23.985 -12.262 1.00 0.00 O ATOM 289 CB PRO A 21 15.249 -22.989 -11.253 1.00 0.00 C ATOM 290 CG PRO A 21 15.261 -24.253 -10.465 1.00 0.00 C ATOM 291 CD PRO A 21 14.369 -24.011 -9.279 1.00 0.00 C ATOM 0 HA PRO A 21 13.810 -21.327 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.450 -23.178 -12.307 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.014 -22.296 -10.902 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.897 -25.089 -11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.273 -24.505 -10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.851 -24.920 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.935 -23.661 -8.415 1.00 0.00 H new ATOM 299 N ASP A 22 12.639 -21.898 -13.088 1.00 0.00 N ATOM 300 CA ASP A 22 11.774 -22.171 -14.230 1.00 0.00 C ATOM 301 C ASP A 22 10.400 -22.646 -13.770 1.00 0.00 C ATOM 302 O ASP A 22 9.698 -23.346 -14.500 1.00 0.00 O ATOM 303 CB ASP A 22 12.413 -23.221 -15.140 1.00 0.00 C ATOM 304 CG ASP A 22 13.928 -23.172 -15.108 1.00 0.00 C ATOM 305 OD1 ASP A 22 14.485 -22.055 -15.108 1.00 0.00 O ATOM 306 OD2 ASP A 22 14.555 -24.252 -15.081 1.00 0.00 O ATOM 0 H ASP A 22 12.992 -20.942 -13.045 1.00 0.00 H new ATOM 0 HA ASP A 22 11.648 -21.244 -14.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.078 -24.213 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.069 -23.068 -16.163 1.00 0.00 H new ATOM 311 N SER A 23 10.022 -22.260 -12.556 1.00 0.00 N ATOM 312 CA SER A 23 8.733 -22.651 -11.996 1.00 0.00 C ATOM 313 C SER A 23 7.840 -21.432 -11.787 1.00 0.00 C ATOM 314 O SER A 23 6.617 -21.550 -11.708 1.00 0.00 O ATOM 315 CB SER A 23 8.931 -23.385 -10.669 1.00 0.00 C ATOM 316 OG SER A 23 7.687 -23.757 -10.101 1.00 0.00 O ATOM 0 H SER A 23 10.590 -21.677 -11.941 1.00 0.00 H new ATOM 0 HA SER A 23 8.245 -23.321 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.541 -24.274 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.475 -22.746 -9.974 1.00 0.00 H new ATOM 0 HG SER A 23 7.841 -24.226 -9.254 1.00 0.00 H new ATOM 322 N PHE A 24 8.460 -20.260 -11.699 1.00 0.00 N ATOM 323 CA PHE A 24 7.723 -19.018 -11.499 1.00 0.00 C ATOM 324 C PHE A 24 7.508 -18.292 -12.824 1.00 0.00 C ATOM 325 O PHE A 24 8.324 -18.396 -13.740 1.00 0.00 O ATOM 326 CB PHE A 24 8.470 -18.108 -10.522 1.00 0.00 C ATOM 327 CG PHE A 24 7.837 -16.756 -10.358 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.552 -16.634 -9.856 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.528 -15.606 -10.707 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.967 -15.391 -9.704 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.948 -14.361 -10.557 1.00 0.00 C ATOM 332 CZ PHE A 24 6.666 -14.253 -10.056 1.00 0.00 C ATOM 0 H PHE A 24 9.471 -20.144 -11.763 1.00 0.00 H new ATOM 0 HA PHE A 24 6.748 -19.268 -11.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.521 -18.597 -9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.496 -17.980 -10.869 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.001 -17.521 -9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.531 -15.684 -11.100 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.965 -15.310 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.497 -13.473 -10.832 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.211 -13.281 -9.940 1.00 0.00 H new ATOM 342 N SER A 25 6.404 -17.559 -12.919 1.00 0.00 N ATOM 343 CA SER A 25 6.079 -16.819 -14.133 1.00 0.00 C ATOM 344 C SER A 25 4.957 -15.818 -13.875 1.00 0.00 C ATOM 345 O SER A 25 4.198 -15.932 -12.912 1.00 0.00 O ATOM 346 CB SER A 25 5.672 -17.783 -15.249 1.00 0.00 C ATOM 347 OG SER A 25 6.800 -18.207 -15.993 1.00 0.00 O ATOM 0 H SER A 25 5.719 -17.461 -12.170 1.00 0.00 H new ATOM 0 HA SER A 25 6.968 -16.270 -14.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.169 -18.649 -14.820 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.957 -17.296 -15.912 1.00 0.00 H new ATOM 0 HG SER A 25 7.559 -18.343 -15.388 1.00 0.00 H new ATOM 353 N PRO A 26 4.848 -14.813 -14.756 1.00 0.00 N ATOM 354 CA PRO A 26 3.822 -13.772 -14.647 1.00 0.00 C ATOM 355 C PRO A 26 2.422 -14.305 -14.934 1.00 0.00 C ATOM 356 O PRO A 26 1.449 -13.897 -14.300 1.00 0.00 O ATOM 357 CB PRO A 26 4.235 -12.753 -15.712 1.00 0.00 C ATOM 358 CG PRO A 26 5.013 -13.541 -16.709 1.00 0.00 C ATOM 359 CD PRO A 26 5.718 -14.615 -15.928 1.00 0.00 C ATOM 0 HA PRO A 26 3.767 -13.358 -13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.364 -12.284 -16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.838 -11.953 -15.282 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.356 -13.974 -17.463 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.728 -12.908 -17.235 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.823 -15.531 -16.509 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.722 -14.306 -15.636 1.00 0.00 H new ATOM 367 N LYS A 27 2.328 -15.220 -15.893 1.00 0.00 N ATOM 368 CA LYS A 27 1.048 -15.811 -16.264 1.00 0.00 C ATOM 369 C LYS A 27 0.809 -17.112 -15.505 1.00 0.00 C ATOM 370 O LYS A 27 0.194 -18.043 -16.025 1.00 0.00 O ATOM 371 CB LYS A 27 1.000 -16.071 -17.771 1.00 0.00 C ATOM 372 CG LYS A 27 2.098 -16.999 -18.263 1.00 0.00 C ATOM 373 CD LYS A 27 1.525 -18.266 -18.875 1.00 0.00 C ATOM 374 CE LYS A 27 0.823 -17.981 -20.193 1.00 0.00 C ATOM 375 NZ LYS A 27 0.533 -19.231 -20.949 1.00 0.00 N ATOM 0 H LYS A 27 3.124 -15.568 -16.428 1.00 0.00 H new ATOM 0 HA LYS A 27 0.260 -15.106 -15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.031 -16.500 -18.027 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.076 -15.120 -18.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.709 -16.481 -19.002 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.754 -17.260 -17.433 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.326 -18.987 -19.037 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.822 -18.722 -18.178 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.108 -17.449 -20.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.445 -17.325 -20.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.054 -18.994 -21.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.424 -19.727 -21.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.082 -19.847 -20.379 1.00 0.00 H new ATOM 389 N LYS A 28 1.300 -17.171 -14.272 1.00 0.00 N ATOM 390 CA LYS A 28 1.138 -18.357 -13.439 1.00 0.00 C ATOM 391 C LYS A 28 0.785 -17.971 -12.006 1.00 0.00 C ATOM 392 O LYS A 28 -0.050 -18.613 -11.368 1.00 0.00 O ATOM 393 CB LYS A 28 2.419 -19.193 -13.452 1.00 0.00 C ATOM 394 CG LYS A 28 2.276 -20.537 -12.759 1.00 0.00 C ATOM 395 CD LYS A 28 1.617 -21.564 -13.663 1.00 0.00 C ATOM 396 CE LYS A 28 1.535 -22.927 -12.993 1.00 0.00 C ATOM 397 NZ LYS A 28 2.818 -23.675 -13.100 1.00 0.00 N ATOM 0 H LYS A 28 1.814 -16.411 -13.827 1.00 0.00 H new ATOM 0 HA LYS A 28 0.320 -18.950 -13.849 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.725 -19.357 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.216 -18.628 -12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.259 -20.897 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.685 -20.418 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.615 -21.227 -13.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.181 -21.648 -14.592 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.275 -22.800 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.736 -23.509 -13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.722 -24.598 -12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.054 -23.818 -14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.576 -23.131 -12.641 1.00 0.00 H new ATOM 411 N PHE A 29 1.424 -16.919 -11.506 1.00 0.00 N ATOM 412 CA PHE A 29 1.177 -16.448 -10.149 1.00 0.00 C ATOM 413 C PHE A 29 -0.057 -15.551 -10.100 1.00 0.00 C ATOM 414 O PHE A 29 -0.606 -15.289 -9.030 1.00 0.00 O ATOM 415 CB PHE A 29 2.395 -15.688 -9.620 1.00 0.00 C ATOM 416 CG PHE A 29 2.392 -14.228 -9.975 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.479 -13.823 -11.297 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.300 -13.262 -8.987 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.477 -12.481 -11.626 1.00 0.00 C ATOM 420 CE2 PHE A 29 2.297 -11.918 -9.310 1.00 0.00 C ATOM 421 CZ PHE A 29 2.385 -11.527 -10.632 1.00 0.00 C ATOM 0 H PHE A 29 2.117 -16.376 -12.021 1.00 0.00 H new ATOM 0 HA PHE A 29 0.998 -17.318 -9.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.434 -15.790 -8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.300 -16.148 -10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.549 -14.564 -12.079 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.230 -13.562 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.547 -12.178 -12.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.226 -11.175 -8.530 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.382 -10.478 -10.887 1.00 0.00 H new ATOM 431 N PHE A 30 -0.486 -15.082 -11.268 1.00 0.00 N ATOM 432 CA PHE A 30 -1.653 -14.213 -11.360 1.00 0.00 C ATOM 433 C PHE A 30 -2.886 -14.893 -10.771 1.00 0.00 C ATOM 434 O PHE A 30 -3.806 -14.229 -10.296 1.00 0.00 O ATOM 435 CB PHE A 30 -1.916 -13.829 -12.818 1.00 0.00 C ATOM 436 CG PHE A 30 -2.568 -14.921 -13.617 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.863 -16.064 -13.957 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.886 -14.804 -14.029 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.460 -17.071 -14.692 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.488 -15.807 -14.763 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.774 -16.942 -15.097 1.00 0.00 C ATOM 0 H PHE A 30 -0.043 -15.289 -12.163 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.448 -13.310 -10.785 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.550 -12.943 -12.843 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.972 -13.559 -13.290 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.835 -16.170 -13.644 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.449 -13.918 -13.773 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.900 -17.958 -14.949 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.517 -15.704 -15.076 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.242 -17.726 -15.673 1.00 0.00 H new ATOM 451 N GLN A 31 -2.896 -16.222 -10.809 1.00 0.00 N ATOM 452 CA GLN A 31 -4.015 -16.992 -10.280 1.00 0.00 C ATOM 453 C GLN A 31 -3.790 -17.344 -8.813 1.00 0.00 C ATOM 454 O GLN A 31 -4.740 -17.442 -8.036 1.00 0.00 O ATOM 455 CB GLN A 31 -4.214 -18.270 -11.098 1.00 0.00 C ATOM 456 CG GLN A 31 -3.242 -19.381 -10.736 1.00 0.00 C ATOM 457 CD GLN A 31 -3.014 -20.353 -11.878 1.00 0.00 C ATOM 458 OE1 GLN A 31 -3.963 -20.893 -12.447 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.751 -20.580 -12.219 1.00 0.00 N ATOM 0 H GLN A 31 -2.142 -16.787 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.912 -16.378 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.233 -18.629 -10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.106 -18.034 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.289 -18.943 -10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.623 -19.925 -9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.996 -20.110 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.536 -21.224 -12.980 1.00 0.00 H new ATOM 468 N ILE A 32 -2.529 -17.532 -8.442 1.00 0.00 N ATOM 469 CA ILE A 32 -2.180 -17.871 -7.068 1.00 0.00 C ATOM 470 C ILE A 32 -2.290 -16.654 -6.156 1.00 0.00 C ATOM 471 O ILE A 32 -3.034 -16.665 -5.176 1.00 0.00 O ATOM 472 CB ILE A 32 -0.753 -18.442 -6.974 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.634 -19.718 -7.811 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.387 -18.718 -5.523 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.727 -19.898 -8.447 1.00 0.00 C ATOM 0 H ILE A 32 -1.732 -17.455 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.889 -18.632 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.056 -17.704 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.847 -20.579 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.393 -19.702 -8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.624 -19.121 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.436 -17.790 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.087 -19.440 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.739 -20.822 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.935 -19.055 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.489 -19.946 -7.669 1.00 0.00 H new ATOM 487 N SER A 33 -1.544 -15.605 -6.487 1.00 0.00 N ATOM 488 CA SER A 33 -1.556 -14.379 -5.696 1.00 0.00 C ATOM 489 C SER A 33 -2.963 -13.794 -5.622 1.00 0.00 C ATOM 490 O SER A 33 -3.472 -13.507 -4.539 1.00 0.00 O ATOM 491 CB SER A 33 -0.595 -13.351 -6.297 1.00 0.00 C ATOM 492 OG SER A 33 0.745 -13.807 -6.233 1.00 0.00 O ATOM 0 H SER A 33 -0.924 -15.579 -7.297 1.00 0.00 H new ATOM 0 HA SER A 33 -1.230 -14.624 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.867 -13.157 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.687 -12.406 -5.761 1.00 0.00 H new ATOM 0 HG SER A 33 0.867 -14.552 -6.858 1.00 0.00 H new ATOM 498 N GLY A 34 -3.587 -13.621 -6.783 1.00 0.00 N ATOM 499 CA GLY A 34 -4.929 -13.071 -6.829 1.00 0.00 C ATOM 500 C GLY A 34 -5.038 -11.883 -7.764 1.00 0.00 C ATOM 501 O GLY A 34 -5.818 -10.962 -7.520 1.00 0.00 O ATOM 0 H GLY A 34 -3.187 -13.852 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.625 -13.846 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.229 -12.768 -5.826 1.00 0.00 H new ATOM 505 N MET A 35 -4.252 -11.901 -8.835 1.00 0.00 N ATOM 506 CA MET A 35 -4.264 -10.817 -9.810 1.00 0.00 C ATOM 507 C MET A 35 -5.320 -11.060 -10.883 1.00 0.00 C ATOM 508 O MET A 35 -5.754 -10.130 -11.563 1.00 0.00 O ATOM 509 CB MET A 35 -2.886 -10.671 -10.459 1.00 0.00 C ATOM 510 CG MET A 35 -1.845 -10.050 -9.541 1.00 0.00 C ATOM 511 SD MET A 35 -0.759 -8.897 -10.402 1.00 0.00 S ATOM 512 CE MET A 35 -0.331 -9.854 -11.854 1.00 0.00 C ATOM 0 H MET A 35 -3.599 -12.654 -9.050 1.00 0.00 H new ATOM 0 HA MET A 35 -4.511 -9.894 -9.285 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.538 -11.653 -10.778 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.979 -10.059 -11.356 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.349 -9.529 -8.727 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.245 -10.841 -9.091 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.709 -9.665 -12.121 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.464 -10.915 -11.643 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.977 -9.565 -12.683 1.00 0.00 H new ATOM 522 N SER A 36 -5.730 -12.316 -11.029 1.00 0.00 N ATOM 523 CA SER A 36 -6.733 -12.682 -12.022 1.00 0.00 C ATOM 524 C SER A 36 -7.991 -11.833 -11.862 1.00 0.00 C ATOM 525 O SER A 36 -8.663 -11.508 -12.841 1.00 0.00 O ATOM 526 CB SER A 36 -7.087 -14.166 -11.898 1.00 0.00 C ATOM 527 OG SER A 36 -7.427 -14.499 -10.564 1.00 0.00 O ATOM 0 H SER A 36 -5.383 -13.097 -10.472 1.00 0.00 H new ATOM 0 HA SER A 36 -6.314 -12.497 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.922 -14.400 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.242 -14.773 -12.224 1.00 0.00 H new ATOM 0 HG SER A 36 -7.651 -15.452 -10.512 1.00 0.00 H new ATOM 533 N LYS A 37 -8.303 -11.477 -10.621 1.00 0.00 N ATOM 534 CA LYS A 37 -9.478 -10.665 -10.330 1.00 0.00 C ATOM 535 C LYS A 37 -9.329 -9.263 -10.912 1.00 0.00 C ATOM 536 O LYS A 37 -10.317 -8.612 -11.253 1.00 0.00 O ATOM 537 CB LYS A 37 -9.703 -10.579 -8.819 1.00 0.00 C ATOM 538 CG LYS A 37 -9.829 -11.935 -8.145 1.00 0.00 C ATOM 539 CD LYS A 37 -9.659 -11.827 -6.639 1.00 0.00 C ATOM 540 CE LYS A 37 -9.666 -13.196 -5.978 1.00 0.00 C ATOM 541 NZ LYS A 37 -8.306 -13.803 -5.943 1.00 0.00 N ATOM 0 H LYS A 37 -7.758 -11.738 -9.800 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.341 -11.142 -10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.875 -10.033 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.607 -10.002 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.804 -12.366 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.078 -12.614 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.722 -11.318 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.462 -11.217 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.050 -13.106 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.345 -13.856 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.354 -14.735 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.950 -13.912 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.664 -13.186 -5.406 1.00 0.00 H new ATOM 555 N LYS A 38 -8.087 -8.804 -11.025 1.00 0.00 N ATOM 556 CA LYS A 38 -7.807 -7.480 -11.569 1.00 0.00 C ATOM 557 C LYS A 38 -8.430 -7.317 -12.952 1.00 0.00 C ATOM 558 O LYS A 38 -9.047 -8.243 -13.478 1.00 0.00 O ATOM 559 CB LYS A 38 -6.296 -7.248 -11.649 1.00 0.00 C ATOM 560 CG LYS A 38 -5.581 -7.438 -10.322 1.00 0.00 C ATOM 561 CD LYS A 38 -6.192 -6.575 -9.231 1.00 0.00 C ATOM 562 CE LYS A 38 -7.140 -7.376 -8.352 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.042 -6.976 -6.921 1.00 0.00 N ATOM 0 H LYS A 38 -7.258 -9.329 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.248 -6.740 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.870 -7.932 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.111 -6.237 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.630 -8.486 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.526 -7.188 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.399 -6.147 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.730 -5.742 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.164 -7.235 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.914 -8.438 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.675 -7.773 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.398 -6.164 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.984 -6.711 -6.569 1.00 0.00 H new ATOM 577 N SER A 39 -8.264 -6.134 -13.535 1.00 0.00 N ATOM 578 CA SER A 39 -8.813 -5.849 -14.856 1.00 0.00 C ATOM 579 C SER A 39 -7.984 -4.786 -15.570 1.00 0.00 C ATOM 580 O SER A 39 -8.528 -3.885 -16.209 1.00 0.00 O ATOM 581 CB SER A 39 -10.266 -5.385 -14.738 1.00 0.00 C ATOM 582 OG SER A 39 -10.448 -4.561 -13.600 1.00 0.00 O ATOM 0 H SER A 39 -7.754 -5.358 -13.114 1.00 0.00 H new ATOM 0 HA SER A 39 -8.779 -6.767 -15.443 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.550 -4.837 -15.637 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.924 -6.252 -14.672 1.00 0.00 H new ATOM 0 HG SER A 39 -11.384 -4.277 -13.548 1.00 0.00 H new ATOM 588 N SER A 40 -6.665 -4.899 -15.458 1.00 0.00 N ATOM 589 CA SER A 40 -5.759 -3.947 -16.090 1.00 0.00 C ATOM 590 C SER A 40 -5.983 -2.540 -15.543 1.00 0.00 C ATOM 591 O SER A 40 -5.569 -1.553 -16.151 1.00 0.00 O ATOM 592 CB SER A 40 -5.955 -3.954 -17.607 1.00 0.00 C ATOM 593 OG SER A 40 -6.865 -2.944 -18.009 1.00 0.00 O ATOM 0 H SER A 40 -6.199 -5.641 -14.935 1.00 0.00 H new ATOM 0 HA SER A 40 -4.737 -4.249 -15.862 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.996 -3.801 -18.101 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.325 -4.929 -17.924 1.00 0.00 H new ATOM 0 HG SER A 40 -7.731 -3.091 -17.574 1.00 0.00 H new ATOM 599 N SER A 41 -6.642 -2.457 -14.392 1.00 0.00 N ATOM 600 CA SER A 41 -6.925 -1.172 -13.764 1.00 0.00 C ATOM 601 C SER A 41 -6.213 -1.056 -12.420 1.00 0.00 C ATOM 602 O SER A 41 -6.152 0.022 -11.829 1.00 0.00 O ATOM 603 CB SER A 41 -8.432 -0.995 -13.572 1.00 0.00 C ATOM 604 OG SER A 41 -8.915 0.108 -14.319 1.00 0.00 O ATOM 0 H SER A 41 -6.990 -3.265 -13.875 1.00 0.00 H new ATOM 0 HA SER A 41 -6.555 -0.385 -14.421 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.950 -1.903 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.652 -0.847 -12.515 1.00 0.00 H new ATOM 0 HG SER A 41 -9.881 0.199 -14.181 1.00 0.00 H new ATOM 610 N GLN A 42 -5.675 -2.174 -11.943 1.00 0.00 N ATOM 611 CA GLN A 42 -4.968 -2.198 -10.668 1.00 0.00 C ATOM 612 C GLN A 42 -3.555 -2.745 -10.840 1.00 0.00 C ATOM 613 O GLN A 42 -2.720 -2.632 -9.941 1.00 0.00 O ATOM 614 CB GLN A 42 -5.735 -3.045 -9.651 1.00 0.00 C ATOM 615 CG GLN A 42 -7.177 -2.604 -9.457 1.00 0.00 C ATOM 616 CD GLN A 42 -8.173 -3.631 -9.958 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.180 -3.906 -9.305 1.00 0.00 O ATOM 618 NE2 GLN A 42 -7.898 -4.204 -11.124 1.00 0.00 N ATOM 0 H GLN A 42 -5.715 -3.075 -12.420 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.900 -1.174 -10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.722 -4.086 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.219 -3.003 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.356 -2.416 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.338 -1.661 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.052 -3.946 -11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.533 -4.902 -11.512 1.00 0.00 H new ATOM 627 N LEU A 43 -3.292 -3.339 -11.999 1.00 0.00 N ATOM 628 CA LEU A 43 -1.979 -3.905 -12.289 1.00 0.00 C ATOM 629 C LEU A 43 -0.904 -2.824 -12.266 1.00 0.00 C ATOM 630 O LEU A 43 0.124 -2.969 -11.603 1.00 0.00 O ATOM 631 CB LEU A 43 -1.991 -4.599 -13.652 1.00 0.00 C ATOM 632 CG LEU A 43 -3.118 -5.606 -13.882 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.719 -6.621 -14.942 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.482 -6.306 -12.581 1.00 0.00 C ATOM 0 H LEU A 43 -3.971 -3.441 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.748 -4.639 -11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.051 -3.834 -14.426 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.039 -5.113 -13.784 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.995 -5.065 -14.238 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.534 -7.330 -15.092 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.509 -6.105 -15.879 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.828 -7.157 -14.616 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.286 -7.019 -12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.610 -6.834 -12.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.812 -5.567 -11.850 1.00 0.00 H new ATOM 646 N LYS A 44 -1.147 -1.738 -12.992 1.00 0.00 N ATOM 647 CA LYS A 44 -0.202 -0.629 -13.053 1.00 0.00 C ATOM 648 C LYS A 44 -0.380 0.304 -11.859 1.00 0.00 C ATOM 649 O LYS A 44 0.277 1.340 -11.767 1.00 0.00 O ATOM 650 CB LYS A 44 -0.384 0.152 -14.356 1.00 0.00 C ATOM 651 CG LYS A 44 -1.618 1.039 -14.366 1.00 0.00 C ATOM 652 CD LYS A 44 -2.265 1.077 -15.740 1.00 0.00 C ATOM 653 CE LYS A 44 -1.881 2.336 -16.502 1.00 0.00 C ATOM 654 NZ LYS A 44 -2.627 2.457 -17.786 1.00 0.00 N ATOM 0 H LYS A 44 -1.992 -1.602 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 44 0.806 -1.042 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.498 0.769 -14.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.446 -0.552 -15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.337 0.672 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.343 2.050 -14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.962 0.199 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.349 1.031 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.080 3.210 -15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.810 2.326 -16.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.337 3.328 -18.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.417 1.635 -18.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.648 2.493 -17.592 1.00 0.00 H new ATOM 668 N GLU A 45 -1.271 -0.073 -10.947 1.00 0.00 N ATOM 669 CA GLU A 45 -1.533 0.731 -9.759 1.00 0.00 C ATOM 670 C GLU A 45 -0.365 0.653 -8.780 1.00 0.00 C ATOM 671 O GLU A 45 0.079 1.669 -8.245 1.00 0.00 O ATOM 672 CB GLU A 45 -2.819 0.264 -9.073 1.00 0.00 C ATOM 673 CG GLU A 45 -3.264 1.166 -7.934 1.00 0.00 C ATOM 674 CD GLU A 45 -2.610 0.804 -6.615 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.509 -0.403 -6.313 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.200 1.730 -5.883 1.00 0.00 O ATOM 0 H GLU A 45 -1.823 -0.929 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.653 1.768 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.616 0.209 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.670 -0.745 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.027 2.201 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.347 1.104 -7.828 1.00 0.00 H new ATOM 683 N ILE A 46 0.127 -0.560 -8.551 1.00 0.00 N ATOM 684 CA ILE A 46 1.244 -0.771 -7.638 1.00 0.00 C ATOM 685 C ILE A 46 2.545 -0.240 -8.229 1.00 0.00 C ATOM 686 O ILE A 46 3.365 0.349 -7.523 1.00 0.00 O ATOM 687 CB ILE A 46 1.419 -2.263 -7.299 1.00 0.00 C ATOM 688 CG1 ILE A 46 0.108 -2.845 -6.766 1.00 0.00 C ATOM 689 CG2 ILE A 46 2.537 -2.448 -6.284 1.00 0.00 C ATOM 690 CD1 ILE A 46 -0.694 -3.587 -7.812 1.00 0.00 C ATOM 0 H ILE A 46 -0.230 -1.411 -8.985 1.00 0.00 H new ATOM 0 HA ILE A 46 1.013 -0.223 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 46 1.689 -2.798 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.330 -3.523 -5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.500 -2.037 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.648 -3.508 -6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.470 -2.066 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.294 -1.903 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.610 -3.972 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.947 -2.908 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.104 -4.417 -8.202 1.00 0.00 H new ATOM 702 N PHE A 47 2.728 -0.450 -9.528 1.00 0.00 N ATOM 703 CA PHE A 47 3.930 0.009 -10.215 1.00 0.00 C ATOM 704 C PHE A 47 5.180 -0.605 -9.592 1.00 0.00 C ATOM 705 O PHE A 47 6.237 0.025 -9.545 1.00 0.00 O ATOM 706 CB PHE A 47 4.020 1.535 -10.166 1.00 0.00 C ATOM 707 CG PHE A 47 3.177 2.219 -11.205 1.00 0.00 C ATOM 708 CD1 PHE A 47 3.196 1.791 -12.522 1.00 0.00 C ATOM 709 CD2 PHE A 47 2.365 3.288 -10.863 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.422 2.418 -13.480 1.00 0.00 C ATOM 711 CE2 PHE A 47 1.589 3.920 -11.817 1.00 0.00 C ATOM 712 CZ PHE A 47 1.616 3.483 -13.127 1.00 0.00 C ATOM 0 H PHE A 47 2.059 -0.935 -10.126 1.00 0.00 H new ATOM 0 HA PHE A 47 3.868 -0.311 -11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.713 1.878 -9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.060 1.834 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.823 0.958 -12.804 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.338 3.632 -9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.447 2.076 -14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.962 4.754 -11.538 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.008 3.973 -13.874 1.00 0.00 H new ATOM 722 N ARG A 48 5.051 -1.839 -9.114 1.00 0.00 N ATOM 723 CA ARG A 48 6.169 -2.538 -8.492 1.00 0.00 C ATOM 724 C ARG A 48 6.195 -4.005 -8.913 1.00 0.00 C ATOM 725 O ARG A 48 6.996 -4.792 -8.407 1.00 0.00 O ATOM 726 CB ARG A 48 6.079 -2.435 -6.969 1.00 0.00 C ATOM 727 CG ARG A 48 5.487 -3.670 -6.309 1.00 0.00 C ATOM 728 CD ARG A 48 5.179 -3.424 -4.840 1.00 0.00 C ATOM 729 NE ARG A 48 6.394 -3.328 -4.035 1.00 0.00 N ATOM 730 CZ ARG A 48 6.441 -2.744 -2.843 1.00 0.00 C ATOM 731 NH1 ARG A 48 5.347 -2.207 -2.320 1.00 0.00 N ATOM 732 NH2 ARG A 48 7.584 -2.696 -2.171 1.00 0.00 N ATOM 0 H ARG A 48 4.184 -2.375 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 48 7.092 -2.065 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.076 -2.261 -6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.473 -1.568 -6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.574 -3.960 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.184 -4.503 -6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.604 -2.504 -4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.555 -4.233 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 48 7.253 -3.731 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.466 -2.242 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.386 -1.759 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.428 -3.108 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.619 -2.247 -1.256 1.00 0.00 H new ATOM 746 N ILE A 49 5.315 -4.364 -9.841 1.00 0.00 N ATOM 747 CA ILE A 49 5.238 -5.735 -10.330 1.00 0.00 C ATOM 748 C ILE A 49 5.537 -5.804 -11.824 1.00 0.00 C ATOM 749 O ILE A 49 5.672 -6.888 -12.392 1.00 0.00 O ATOM 750 CB ILE A 49 3.850 -6.349 -10.067 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.778 -5.602 -10.863 1.00 0.00 C ATOM 752 CG2 ILE A 49 3.531 -6.318 -8.580 1.00 0.00 C ATOM 753 CD1 ILE A 49 2.292 -4.340 -10.185 1.00 0.00 C ATOM 0 H ILE A 49 4.645 -3.725 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 49 5.989 -6.307 -9.785 1.00 0.00 H new ATOM 0 HB ILE A 49 3.861 -7.388 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.178 -5.347 -11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.930 -6.266 -11.027 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.547 -6.755 -8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.282 -6.890 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.535 -5.286 -8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.534 -3.863 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.862 -4.590 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.129 -3.656 -10.045 1.00 0.00 H new ATOM 765 N LEU A 50 5.640 -4.640 -12.455 1.00 0.00 N ATOM 766 CA LEU A 50 5.926 -4.567 -13.884 1.00 0.00 C ATOM 767 C LEU A 50 7.361 -4.112 -14.130 1.00 0.00 C ATOM 768 O LEU A 50 8.178 -4.864 -14.663 1.00 0.00 O ATOM 769 CB LEU A 50 4.951 -3.608 -14.570 1.00 0.00 C ATOM 770 CG LEU A 50 3.497 -3.681 -14.102 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.753 -2.406 -14.471 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.804 -4.897 -14.700 1.00 0.00 C ATOM 0 H LEU A 50 5.530 -3.734 -12.000 1.00 0.00 H new ATOM 0 HA LEU A 50 5.803 -5.565 -14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.309 -2.589 -14.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.977 -3.801 -15.642 1.00 0.00 H new ATOM 0 HG LEU A 50 3.489 -3.781 -13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.720 -2.476 -14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.235 -1.552 -13.995 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.770 -2.275 -15.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.770 -4.933 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.822 -4.828 -15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.322 -5.803 -14.385 1.00 0.00 H new ATOM 784 N ASP A 51 7.662 -2.880 -13.736 1.00 0.00 N ATOM 785 CA ASP A 51 9.000 -2.326 -13.911 1.00 0.00 C ATOM 786 C ASP A 51 9.327 -1.336 -12.798 1.00 0.00 C ATOM 787 O ASP A 51 8.465 -0.982 -11.995 1.00 0.00 O ATOM 788 CB ASP A 51 9.117 -1.640 -15.273 1.00 0.00 C ATOM 789 CG ASP A 51 7.799 -1.056 -15.742 1.00 0.00 C ATOM 790 OD1 ASP A 51 7.082 -0.464 -14.908 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.486 -1.189 -16.943 1.00 0.00 O ATOM 0 H ASP A 51 6.998 -2.245 -13.293 1.00 0.00 H new ATOM 0 HA ASP A 51 9.716 -3.147 -13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.862 -0.847 -15.214 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.475 -2.360 -16.009 1.00 0.00 H new ATOM 796 N ASN A 52 10.580 -0.892 -12.757 1.00 0.00 N ATOM 797 CA ASN A 52 11.022 0.057 -11.742 1.00 0.00 C ATOM 798 C ASN A 52 11.545 1.337 -12.386 1.00 0.00 C ATOM 799 O ASN A 52 12.081 2.212 -11.705 1.00 0.00 O ATOM 800 CB ASN A 52 12.110 -0.570 -10.868 1.00 0.00 C ATOM 801 CG ASN A 52 13.273 -1.100 -11.685 1.00 0.00 C ATOM 802 OD1 ASN A 52 14.068 -0.331 -12.226 1.00 0.00 O ATOM 803 ND2 ASN A 52 13.377 -2.421 -11.777 1.00 0.00 N ATOM 0 H ASN A 52 11.306 -1.175 -13.415 1.00 0.00 H new ATOM 0 HA ASN A 52 10.165 0.310 -11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.476 0.173 -10.159 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.679 -1.383 -10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.139 -2.836 -12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.695 -3.020 -11.312 1.00 0.00 H new ATOM 810 N ASP A 53 11.385 1.440 -13.700 1.00 0.00 N ATOM 811 CA ASP A 53 11.839 2.615 -14.436 1.00 0.00 C ATOM 812 C ASP A 53 10.658 3.487 -14.851 1.00 0.00 C ATOM 813 O ASP A 53 10.756 4.713 -14.868 1.00 0.00 O ATOM 814 CB ASP A 53 12.635 2.192 -15.672 1.00 0.00 C ATOM 815 CG ASP A 53 11.820 1.337 -16.622 1.00 0.00 C ATOM 816 OD1 ASP A 53 11.614 0.143 -16.317 1.00 0.00 O ATOM 817 OD2 ASP A 53 11.387 1.862 -17.669 1.00 0.00 O ATOM 0 H ASP A 53 10.944 0.724 -14.278 1.00 0.00 H new ATOM 0 HA ASP A 53 12.484 3.198 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.984 3.081 -16.197 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.520 1.639 -15.358 1.00 0.00 H new ATOM 822 N GLN A 54 9.543 2.844 -15.185 1.00 0.00 N ATOM 823 CA GLN A 54 8.344 3.562 -15.601 1.00 0.00 C ATOM 824 C GLN A 54 8.662 4.551 -16.718 1.00 0.00 C ATOM 825 O GLN A 54 8.008 5.586 -16.848 1.00 0.00 O ATOM 826 CB GLN A 54 7.726 4.299 -14.412 1.00 0.00 C ATOM 827 CG GLN A 54 7.835 3.537 -13.101 1.00 0.00 C ATOM 828 CD GLN A 54 7.458 2.075 -13.243 1.00 0.00 C ATOM 829 OE1 GLN A 54 8.324 1.208 -13.367 1.00 0.00 O ATOM 830 NE2 GLN A 54 6.160 1.794 -13.225 1.00 0.00 N ATOM 0 H GLN A 54 9.445 1.829 -15.176 1.00 0.00 H new ATOM 0 HA GLN A 54 7.627 2.833 -15.979 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.214 5.267 -14.302 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.675 4.494 -14.623 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.856 3.610 -12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.188 4.005 -12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.477 2.544 -13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.846 0.828 -13.316 1.00 0.00 H new ATOM 839 N SER A 55 9.669 4.225 -17.521 1.00 0.00 N ATOM 840 CA SER A 55 10.076 5.087 -18.625 1.00 0.00 C ATOM 841 C SER A 55 9.233 4.815 -19.867 1.00 0.00 C ATOM 842 O SER A 55 8.779 5.741 -20.538 1.00 0.00 O ATOM 843 CB SER A 55 11.558 4.876 -18.945 1.00 0.00 C ATOM 844 OG SER A 55 11.835 5.181 -20.301 1.00 0.00 O ATOM 0 H SER A 55 10.218 3.371 -17.428 1.00 0.00 H new ATOM 0 HA SER A 55 9.920 6.122 -18.321 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.167 5.505 -18.296 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.835 3.842 -18.738 1.00 0.00 H new ATOM 0 HG SER A 55 12.788 5.040 -20.480 1.00 0.00 H new ATOM 850 N GLY A 56 9.026 3.536 -20.166 1.00 0.00 N ATOM 851 CA GLY A 56 8.238 3.164 -21.326 1.00 0.00 C ATOM 852 C GLY A 56 8.229 1.667 -21.565 1.00 0.00 C ATOM 853 O GLY A 56 7.169 1.061 -21.718 1.00 0.00 O ATOM 0 H GLY A 56 9.390 2.751 -19.626 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.214 3.514 -21.193 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.635 3.667 -22.208 1.00 0.00 H new ATOM 857 N PHE A 57 9.415 1.068 -21.599 1.00 0.00 N ATOM 858 CA PHE A 57 9.541 -0.367 -21.824 1.00 0.00 C ATOM 859 C PHE A 57 10.272 -1.038 -20.664 1.00 0.00 C ATOM 860 O PHE A 57 10.654 -0.381 -19.695 1.00 0.00 O ATOM 861 CB PHE A 57 10.285 -0.636 -23.134 1.00 0.00 C ATOM 862 CG PHE A 57 11.759 -0.364 -23.053 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.235 0.935 -22.976 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.671 -1.408 -23.053 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.592 1.188 -22.901 1.00 0.00 C ATOM 866 CE2 PHE A 57 14.028 -1.161 -22.977 1.00 0.00 C ATOM 867 CZ PHE A 57 14.489 0.139 -22.903 1.00 0.00 C ATOM 0 H PHE A 57 10.303 1.555 -21.474 1.00 0.00 H new ATOM 0 HA PHE A 57 8.538 -0.788 -21.890 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.131 -1.676 -23.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.853 -0.019 -23.921 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.538 1.760 -22.975 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.316 -2.426 -23.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.950 2.205 -22.841 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.728 -1.984 -22.975 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.550 0.334 -22.847 1.00 0.00 H new ATOM 877 N ILE A 58 10.461 -2.348 -20.771 1.00 0.00 N ATOM 878 CA ILE A 58 11.145 -3.108 -19.732 1.00 0.00 C ATOM 879 C ILE A 58 12.253 -3.973 -20.324 1.00 0.00 C ATOM 880 O ILE A 58 12.218 -4.323 -21.503 1.00 0.00 O ATOM 881 CB ILE A 58 10.167 -4.007 -18.955 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.891 -3.234 -18.612 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.826 -4.539 -17.691 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.851 -4.069 -17.899 1.00 0.00 C ATOM 0 H ILE A 58 10.150 -2.906 -21.566 1.00 0.00 H new ATOM 0 HA ILE A 58 11.581 -2.382 -19.045 1.00 0.00 H new ATOM 0 HB ILE A 58 9.898 -4.855 -19.585 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.151 -2.380 -17.986 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.459 -2.837 -19.530 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.122 -5.173 -17.153 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.708 -5.122 -17.958 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.121 -3.704 -17.056 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.975 -3.456 -17.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.563 -4.909 -18.531 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.265 -4.445 -16.963 1.00 0.00 H new ATOM 896 N GLU A 59 13.234 -4.317 -19.495 1.00 0.00 N ATOM 897 CA GLU A 59 14.352 -5.143 -19.937 1.00 0.00 C ATOM 898 C GLU A 59 14.647 -6.246 -18.924 1.00 0.00 C ATOM 899 O GLU A 59 14.188 -6.194 -17.784 1.00 0.00 O ATOM 900 CB GLU A 59 15.599 -4.282 -20.147 1.00 0.00 C ATOM 901 CG GLU A 59 16.655 -4.943 -21.017 1.00 0.00 C ATOM 902 CD GLU A 59 17.731 -3.974 -21.467 1.00 0.00 C ATOM 903 OE1 GLU A 59 17.987 -2.992 -20.739 1.00 0.00 O ATOM 904 OE2 GLU A 59 18.317 -4.198 -22.547 1.00 0.00 O ATOM 0 H GLU A 59 13.277 -4.037 -18.515 1.00 0.00 H new ATOM 0 HA GLU A 59 14.076 -5.607 -20.884 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.305 -3.336 -20.602 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.035 -4.046 -19.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.116 -5.761 -20.463 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.176 -5.381 -21.893 1.00 0.00 H new ATOM 911 N GLU A 60 15.415 -7.243 -19.351 1.00 0.00 N ATOM 912 CA GLU A 60 15.769 -8.359 -18.482 1.00 0.00 C ATOM 913 C GLU A 60 16.500 -7.868 -17.236 1.00 0.00 C ATOM 914 O GLU A 60 16.551 -8.561 -16.220 1.00 0.00 O ATOM 915 CB GLU A 60 16.643 -9.364 -19.236 1.00 0.00 C ATOM 916 CG GLU A 60 17.933 -8.766 -19.774 1.00 0.00 C ATOM 917 CD GLU A 60 18.587 -9.640 -20.826 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.094 -10.765 -21.052 1.00 0.00 O ATOM 919 OE2 GLU A 60 19.591 -9.200 -21.423 1.00 0.00 O ATOM 0 H GLU A 60 15.804 -7.301 -20.292 1.00 0.00 H new ATOM 0 HA GLU A 60 14.847 -8.851 -18.171 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.886 -10.192 -18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.071 -9.779 -20.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.724 -7.785 -20.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.630 -8.613 -18.950 1.00 0.00 H new ATOM 926 N ASP A 61 17.064 -6.669 -17.323 1.00 0.00 N ATOM 927 CA ASP A 61 17.792 -6.083 -16.203 1.00 0.00 C ATOM 928 C ASP A 61 16.828 -5.495 -15.177 1.00 0.00 C ATOM 929 O ASP A 61 17.245 -5.026 -14.118 1.00 0.00 O ATOM 930 CB ASP A 61 18.750 -4.999 -16.701 1.00 0.00 C ATOM 931 CG ASP A 61 19.639 -4.461 -15.596 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.925 -5.217 -14.645 1.00 0.00 O ATOM 933 OD2 ASP A 61 20.047 -3.284 -15.684 1.00 0.00 O ATOM 0 H ASP A 61 17.031 -6.083 -18.157 1.00 0.00 H new ATOM 0 HA ASP A 61 18.368 -6.873 -15.722 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.372 -5.406 -17.498 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.175 -4.180 -17.132 1.00 0.00 H new ATOM 938 N GLU A 62 15.539 -5.524 -15.498 1.00 0.00 N ATOM 939 CA GLU A 62 14.517 -4.992 -14.604 1.00 0.00 C ATOM 940 C GLU A 62 13.490 -6.065 -14.253 1.00 0.00 C ATOM 941 O GLU A 62 12.346 -5.758 -13.914 1.00 0.00 O ATOM 942 CB GLU A 62 13.818 -3.793 -15.249 1.00 0.00 C ATOM 943 CG GLU A 62 14.502 -2.466 -14.966 1.00 0.00 C ATOM 944 CD GLU A 62 14.495 -1.539 -16.166 1.00 0.00 C ATOM 945 OE1 GLU A 62 13.684 -1.769 -17.088 1.00 0.00 O ATOM 946 OE2 GLU A 62 15.299 -0.585 -16.183 1.00 0.00 O ATOM 0 H GLU A 62 15.177 -5.910 -16.370 1.00 0.00 H new ATOM 0 HA GLU A 62 15.006 -4.667 -13.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.773 -3.946 -16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.790 -3.746 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.004 -1.976 -14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.532 -2.650 -14.660 1.00 0.00 H new ATOM 953 N LEU A 63 13.906 -7.324 -14.336 1.00 0.00 N ATOM 954 CA LEU A 63 13.024 -8.443 -14.027 1.00 0.00 C ATOM 955 C LEU A 63 13.497 -9.182 -12.779 1.00 0.00 C ATOM 956 O LEU A 63 12.723 -9.413 -11.850 1.00 0.00 O ATOM 957 CB LEU A 63 12.959 -9.409 -15.212 1.00 0.00 C ATOM 958 CG LEU A 63 12.637 -8.785 -16.570 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.536 -9.860 -17.641 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.348 -7.981 -16.495 1.00 0.00 C ATOM 0 H LEU A 63 14.849 -7.595 -14.615 1.00 0.00 H new ATOM 0 HA LEU A 63 12.027 -8.045 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.917 -9.923 -15.289 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.207 -10.168 -14.996 1.00 0.00 H new ATOM 0 HG LEU A 63 13.448 -8.109 -16.839 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.306 -9.397 -18.601 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.484 -10.392 -17.713 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.745 -10.562 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.134 -7.544 -17.470 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.527 -8.636 -16.203 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.458 -7.186 -15.757 1.00 0.00 H new ATOM 972 N LYS A 64 14.774 -9.548 -12.764 1.00 0.00 N ATOM 973 CA LYS A 64 15.353 -10.257 -11.629 1.00 0.00 C ATOM 974 C LYS A 64 15.057 -9.527 -10.323 1.00 0.00 C ATOM 975 O LYS A 64 14.563 -8.400 -10.329 1.00 0.00 O ATOM 976 CB LYS A 64 16.866 -10.405 -11.811 1.00 0.00 C ATOM 977 CG LYS A 64 17.559 -9.114 -12.214 1.00 0.00 C ATOM 978 CD LYS A 64 19.063 -9.298 -12.316 1.00 0.00 C ATOM 979 CE LYS A 64 19.761 -7.994 -12.671 1.00 0.00 C ATOM 980 NZ LYS A 64 20.020 -7.158 -11.466 1.00 0.00 N ATOM 0 H LYS A 64 15.428 -9.365 -13.525 1.00 0.00 H new ATOM 0 HA LYS A 64 14.900 -11.247 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.302 -10.766 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.060 -11.164 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.167 -8.773 -13.172 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.335 -8.336 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.450 -9.673 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.288 -10.050 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.704 -8.212 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.147 -7.434 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.369 -6.347 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.871 -7.728 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.001 -6.814 -11.486 1.00 0.00 H new ATOM 994 N TYR A 65 15.363 -10.177 -9.205 1.00 0.00 N ATOM 995 CA TYR A 65 15.129 -9.590 -7.891 1.00 0.00 C ATOM 996 C TYR A 65 13.650 -9.271 -7.693 1.00 0.00 C ATOM 997 O TYR A 65 13.291 -8.405 -6.895 1.00 0.00 O ATOM 998 CB TYR A 65 15.963 -8.319 -7.721 1.00 0.00 C ATOM 999 CG TYR A 65 17.448 -8.579 -7.611 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.173 -9.056 -8.696 1.00 0.00 C ATOM 1001 CD2 TYR A 65 18.127 -8.349 -6.421 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.530 -9.296 -8.600 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.484 -8.585 -6.315 1.00 0.00 C ATOM 1004 CZ TYR A 65 20.181 -9.059 -7.407 1.00 0.00 C ATOM 1005 OH TYR A 65 21.533 -9.296 -7.307 1.00 0.00 O ATOM 0 H TYR A 65 15.774 -11.110 -9.183 1.00 0.00 H new ATOM 0 HA TYR A 65 15.430 -10.318 -7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.780 -7.659 -8.569 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.628 -7.792 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.666 -9.243 -9.631 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.584 -7.979 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.078 -9.667 -9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.996 -8.399 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 65 21.837 -9.077 -6.402 1.00 0.00 H new ATOM 1015 N PHE A 66 12.796 -9.979 -8.424 1.00 0.00 N ATOM 1016 CA PHE A 66 11.355 -9.773 -8.330 1.00 0.00 C ATOM 1017 C PHE A 66 10.791 -10.438 -7.078 1.00 0.00 C ATOM 1018 O PHE A 66 10.043 -9.822 -6.318 1.00 0.00 O ATOM 1019 CB PHE A 66 10.657 -10.327 -9.574 1.00 0.00 C ATOM 1020 CG PHE A 66 9.161 -10.201 -9.528 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.390 -11.173 -8.912 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.527 -9.110 -10.100 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.013 -11.059 -8.869 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.150 -8.991 -10.060 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.393 -9.967 -9.443 1.00 0.00 C ATOM 0 H PHE A 66 13.076 -10.701 -9.088 1.00 0.00 H new ATOM 0 HA PHE A 66 11.170 -8.701 -8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.031 -9.804 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.922 -11.378 -9.692 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.870 -12.029 -8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.115 -8.344 -10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.422 -11.824 -8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.668 -8.136 -10.511 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.317 -9.876 -9.409 1.00 0.00 H new ATOM 1035 N LEU A 67 11.156 -11.698 -6.870 1.00 0.00 N ATOM 1036 CA LEU A 67 10.687 -12.448 -5.710 1.00 0.00 C ATOM 1037 C LEU A 67 11.036 -11.723 -4.414 1.00 0.00 C ATOM 1038 O LEU A 67 10.417 -11.954 -3.376 1.00 0.00 O ATOM 1039 CB LEU A 67 11.298 -13.850 -5.704 1.00 0.00 C ATOM 1040 CG LEU A 67 11.240 -14.614 -7.027 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.944 -15.956 -6.901 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.796 -14.807 -7.469 1.00 0.00 C ATOM 0 H LEU A 67 11.775 -12.222 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 67 9.602 -12.531 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.342 -13.768 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.790 -14.442 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 67 11.756 -14.026 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.892 -16.485 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.988 -15.795 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.457 -16.551 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.774 -15.353 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.256 -15.373 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.323 -13.834 -7.602 1.00 0.00 H new ATOM 1054 N GLN A 68 12.031 -10.844 -4.484 1.00 0.00 N ATOM 1055 CA GLN A 68 12.461 -10.084 -3.317 1.00 0.00 C ATOM 1056 C GLN A 68 11.436 -9.014 -2.955 1.00 0.00 C ATOM 1057 O GLN A 68 11.308 -8.631 -1.792 1.00 0.00 O ATOM 1058 CB GLN A 68 13.822 -9.435 -3.577 1.00 0.00 C ATOM 1059 CG GLN A 68 14.737 -9.431 -2.363 1.00 0.00 C ATOM 1060 CD GLN A 68 16.124 -8.908 -2.679 1.00 0.00 C ATOM 1061 OE1 GLN A 68 16.654 -8.052 -1.969 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.721 -9.420 -3.749 1.00 0.00 N ATOM 0 H GLN A 68 12.554 -10.641 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 68 12.550 -10.775 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.317 -9.963 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.668 -8.408 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.292 -8.818 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.816 -10.444 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.245 -10.127 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.655 -9.106 -4.011 1.00 0.00 H new ATOM 1071 N ARG A 69 10.708 -8.536 -3.959 1.00 0.00 N ATOM 1072 CA ARG A 69 9.695 -7.510 -3.746 1.00 0.00 C ATOM 1073 C ARG A 69 8.696 -7.944 -2.678 1.00 0.00 C ATOM 1074 O ARG A 69 8.516 -7.263 -1.668 1.00 0.00 O ATOM 1075 CB ARG A 69 8.960 -7.210 -5.054 1.00 0.00 C ATOM 1076 CG ARG A 69 9.785 -6.404 -6.045 1.00 0.00 C ATOM 1077 CD ARG A 69 9.697 -4.913 -5.759 1.00 0.00 C ATOM 1078 NE ARG A 69 10.745 -4.469 -4.843 1.00 0.00 N ATOM 1079 CZ ARG A 69 10.772 -3.263 -4.287 1.00 0.00 C ATOM 1080 NH1 ARG A 69 9.814 -2.385 -4.552 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.759 -2.933 -3.463 1.00 0.00 N ATOM 0 H ARG A 69 10.801 -8.843 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 69 10.197 -6.606 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.666 -8.151 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.043 -6.665 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.826 -6.724 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.435 -6.603 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.775 -4.359 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.721 -4.683 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 69 11.497 -5.121 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.054 -2.635 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.837 -1.460 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.497 -3.606 -3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.779 -2.007 -3.036 1.00 0.00 H new ATOM 1095 N PHE A 70 8.049 -9.082 -2.907 1.00 0.00 N ATOM 1096 CA PHE A 70 7.067 -9.607 -1.966 1.00 0.00 C ATOM 1097 C PHE A 70 7.747 -10.423 -0.870 1.00 0.00 C ATOM 1098 O PHE A 70 7.492 -10.221 0.317 1.00 0.00 O ATOM 1099 CB PHE A 70 6.039 -10.471 -2.697 1.00 0.00 C ATOM 1100 CG PHE A 70 5.255 -9.721 -3.736 1.00 0.00 C ATOM 1101 CD1 PHE A 70 5.817 -9.425 -4.967 1.00 0.00 C ATOM 1102 CD2 PHE A 70 3.956 -9.311 -3.480 1.00 0.00 C ATOM 1103 CE1 PHE A 70 5.098 -8.734 -5.924 1.00 0.00 C ATOM 1104 CE2 PHE A 70 3.232 -8.620 -4.433 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.803 -8.332 -5.657 1.00 0.00 C ATOM 0 H PHE A 70 8.187 -9.659 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 70 6.557 -8.762 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.552 -11.307 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.348 -10.895 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.828 -9.738 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.504 -9.534 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.548 -8.508 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.221 -8.306 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.239 -7.794 -6.404 1.00 0.00 H new ATOM 1115 N GLU A 71 8.613 -11.346 -1.278 1.00 0.00 N ATOM 1116 CA GLU A 71 9.328 -12.193 -0.332 1.00 0.00 C ATOM 1117 C GLU A 71 10.564 -11.481 0.210 1.00 0.00 C ATOM 1118 O GLU A 71 11.345 -10.907 -0.549 1.00 0.00 O ATOM 1119 CB GLU A 71 9.735 -13.509 -0.998 1.00 0.00 C ATOM 1120 CG GLU A 71 9.855 -14.671 -0.026 1.00 0.00 C ATOM 1121 CD GLU A 71 8.510 -15.269 0.339 1.00 0.00 C ATOM 1122 OE1 GLU A 71 7.699 -14.562 0.973 1.00 0.00 O ATOM 1123 OE2 GLU A 71 8.268 -16.443 -0.011 1.00 0.00 O ATOM 0 H GLU A 71 8.836 -11.526 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 71 8.659 -12.408 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.001 -13.761 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.690 -13.370 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.485 -15.444 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.355 -14.331 0.881 1.00 0.00 H new ATOM 1130 N SER A 72 10.735 -11.524 1.527 1.00 0.00 N ATOM 1131 CA SER A 72 11.873 -10.879 2.172 1.00 0.00 C ATOM 1132 C SER A 72 13.028 -11.862 2.345 1.00 0.00 C ATOM 1133 O SER A 72 13.954 -11.620 3.117 1.00 0.00 O ATOM 1134 CB SER A 72 11.463 -10.313 3.533 1.00 0.00 C ATOM 1135 OG SER A 72 10.984 -8.985 3.409 1.00 0.00 O ATOM 0 H SER A 72 10.100 -11.999 2.169 1.00 0.00 H new ATOM 0 HA SER A 72 12.206 -10.062 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.690 -10.942 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.316 -10.334 4.211 1.00 0.00 H new ATOM 0 HG SER A 72 10.727 -8.646 4.292 1.00 0.00 H new ATOM 1141 N GLY A 73 12.964 -12.974 1.618 1.00 0.00 N ATOM 1142 CA GLY A 73 14.009 -13.977 1.704 1.00 0.00 C ATOM 1143 C GLY A 73 14.617 -14.298 0.354 1.00 0.00 C ATOM 1144 O GLY A 73 15.534 -15.113 0.257 1.00 0.00 O ATOM 0 H GLY A 73 12.207 -13.198 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.791 -13.625 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.599 -14.888 2.140 1.00 0.00 H new ATOM 1148 N ALA A 74 14.104 -13.658 -0.692 1.00 0.00 N ATOM 1149 CA ALA A 74 14.603 -13.880 -2.043 1.00 0.00 C ATOM 1150 C ALA A 74 15.901 -13.115 -2.282 1.00 0.00 C ATOM 1151 O ALA A 74 16.336 -12.333 -1.436 1.00 0.00 O ATOM 1152 CB ALA A 74 13.554 -13.473 -3.067 1.00 0.00 C ATOM 0 H ALA A 74 13.343 -12.982 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 74 14.812 -14.944 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.941 -13.644 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.652 -14.067 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.317 -12.416 -2.945 1.00 0.00 H new ATOM 1158 N ARG A 75 16.516 -13.347 -3.437 1.00 0.00 N ATOM 1159 CA ARG A 75 17.765 -12.682 -3.785 1.00 0.00 C ATOM 1160 C ARG A 75 17.799 -12.330 -5.270 1.00 0.00 C ATOM 1161 O ARG A 75 17.669 -11.165 -5.646 1.00 0.00 O ATOM 1162 CB ARG A 75 18.958 -13.573 -3.434 1.00 0.00 C ATOM 1163 CG ARG A 75 18.626 -15.056 -3.418 1.00 0.00 C ATOM 1164 CD ARG A 75 19.829 -15.901 -3.806 1.00 0.00 C ATOM 1165 NE ARG A 75 19.889 -17.149 -3.050 1.00 0.00 N ATOM 1166 CZ ARG A 75 19.179 -18.229 -3.356 1.00 0.00 C ATOM 1167 NH1 ARG A 75 18.359 -18.214 -4.398 1.00 0.00 N ATOM 1168 NH2 ARG A 75 19.288 -19.327 -2.619 1.00 0.00 N ATOM 0 H ARG A 75 16.169 -13.991 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 75 17.828 -11.759 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.757 -13.396 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.341 -13.284 -2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.284 -15.343 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.804 -15.253 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.786 -16.125 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.742 -15.331 -3.637 1.00 0.00 H new ATOM 0 HE ARG A 75 20.510 -17.194 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.272 -17.372 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.815 -19.045 -4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.917 -19.342 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.742 -20.156 -2.855 1.00 0.00 H new ATOM 1182 N VAL A 76 17.974 -13.346 -6.109 1.00 0.00 N ATOM 1183 CA VAL A 76 18.024 -13.145 -7.552 1.00 0.00 C ATOM 1184 C VAL A 76 17.329 -14.283 -8.290 1.00 0.00 C ATOM 1185 O VAL A 76 17.122 -15.363 -7.735 1.00 0.00 O ATOM 1186 CB VAL A 76 19.477 -13.034 -8.054 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.519 -12.381 -9.427 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.326 -12.258 -7.058 1.00 0.00 C ATOM 0 H VAL A 76 18.083 -14.316 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 76 17.503 -12.210 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 76 19.891 -14.038 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.553 -12.311 -9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.946 -12.982 -10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.088 -11.381 -9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.349 -12.189 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.916 -11.255 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.322 -12.773 -6.097 1.00 0.00 H new ATOM 1198 N LEU A 77 16.971 -14.035 -9.545 1.00 0.00 N ATOM 1199 CA LEU A 77 16.298 -15.040 -10.362 1.00 0.00 C ATOM 1200 C LEU A 77 17.259 -15.648 -11.378 1.00 0.00 C ATOM 1201 O LEU A 77 18.454 -15.351 -11.374 1.00 0.00 O ATOM 1202 CB LEU A 77 15.100 -14.421 -11.083 1.00 0.00 C ATOM 1203 CG LEU A 77 13.869 -14.139 -10.220 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.126 -12.916 -10.734 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.950 -15.351 -10.190 1.00 0.00 C ATOM 0 H LEU A 77 17.135 -13.147 -10.019 1.00 0.00 H new ATOM 0 HA LEU A 77 15.947 -15.833 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.421 -13.485 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.806 -15.087 -11.894 1.00 0.00 H new ATOM 0 HG LEU A 77 14.201 -13.935 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.253 -12.731 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.786 -12.049 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.805 -13.090 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.080 -15.132 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.625 -15.586 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.486 -16.204 -9.774 1.00 0.00 H new ATOM 1217 N THR A 78 16.729 -16.501 -12.250 1.00 0.00 N ATOM 1218 CA THR A 78 17.539 -17.150 -13.273 1.00 0.00 C ATOM 1219 C THR A 78 17.301 -16.523 -14.642 1.00 0.00 C ATOM 1220 O THR A 78 16.551 -15.557 -14.770 1.00 0.00 O ATOM 1221 CB THR A 78 17.239 -18.659 -13.353 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.876 -18.868 -13.738 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.503 -19.335 -12.015 1.00 0.00 C ATOM 0 H THR A 78 15.742 -16.758 -12.268 1.00 0.00 H new ATOM 0 HA THR A 78 18.582 -17.009 -12.988 1.00 0.00 H new ATOM 0 HB THR A 78 17.899 -19.099 -14.101 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.694 -19.830 -13.788 1.00 0.00 H new ATOM 0 HG21 THR A 78 17.284 -20.400 -12.096 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.549 -19.199 -11.739 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.865 -18.891 -11.251 1.00 0.00 H new ATOM 1231 N ALA A 79 17.945 -17.081 -15.662 1.00 0.00 N ATOM 1232 CA ALA A 79 17.802 -16.577 -17.023 1.00 0.00 C ATOM 1233 C ALA A 79 16.512 -17.082 -17.661 1.00 0.00 C ATOM 1234 O ALA A 79 16.209 -16.758 -18.809 1.00 0.00 O ATOM 1235 CB ALA A 79 19.003 -16.981 -17.864 1.00 0.00 C ATOM 0 H ALA A 79 18.570 -17.882 -15.572 1.00 0.00 H new ATOM 0 HA ALA A 79 17.754 -15.489 -16.979 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.883 -16.598 -18.877 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.911 -16.567 -17.425 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.078 -18.068 -17.893 1.00 0.00 H new ATOM 1241 N SER A 80 15.758 -17.879 -16.911 1.00 0.00 N ATOM 1242 CA SER A 80 14.503 -18.432 -17.406 1.00 0.00 C ATOM 1243 C SER A 80 13.310 -17.683 -16.821 1.00 0.00 C ATOM 1244 O SER A 80 12.466 -17.170 -17.554 1.00 0.00 O ATOM 1245 CB SER A 80 14.405 -19.919 -17.059 1.00 0.00 C ATOM 1246 OG SER A 80 14.775 -20.726 -18.164 1.00 0.00 O ATOM 0 H SER A 80 15.994 -18.156 -15.958 1.00 0.00 H new ATOM 0 HA SER A 80 14.486 -18.316 -18.490 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.052 -20.141 -16.210 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.386 -20.158 -16.755 1.00 0.00 H new ATOM 0 HG SER A 80 14.706 -21.672 -17.916 1.00 0.00 H new ATOM 1252 N GLU A 81 13.249 -17.625 -15.494 1.00 0.00 N ATOM 1253 CA GLU A 81 12.159 -16.939 -14.810 1.00 0.00 C ATOM 1254 C GLU A 81 11.973 -15.528 -15.361 1.00 0.00 C ATOM 1255 O GLU A 81 10.854 -15.107 -15.658 1.00 0.00 O ATOM 1256 CB GLU A 81 12.429 -16.879 -13.305 1.00 0.00 C ATOM 1257 CG GLU A 81 12.668 -18.241 -12.675 1.00 0.00 C ATOM 1258 CD GLU A 81 11.404 -19.074 -12.588 1.00 0.00 C ATOM 1259 OE1 GLU A 81 10.757 -19.281 -13.636 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.062 -19.517 -11.472 1.00 0.00 O ATOM 0 H GLU A 81 13.940 -18.044 -14.872 1.00 0.00 H new ATOM 0 HA GLU A 81 11.243 -17.503 -14.985 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.299 -16.247 -13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.582 -16.403 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.415 -18.781 -13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.080 -18.107 -11.675 1.00 0.00 H new ATOM 1267 N THR A 82 13.078 -14.801 -15.494 1.00 0.00 N ATOM 1268 CA THR A 82 13.038 -13.437 -16.007 1.00 0.00 C ATOM 1269 C THR A 82 12.737 -13.421 -17.501 1.00 0.00 C ATOM 1270 O THR A 82 11.912 -12.636 -17.971 1.00 0.00 O ATOM 1271 CB THR A 82 14.368 -12.703 -15.755 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.442 -13.403 -16.392 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.646 -12.584 -14.264 1.00 0.00 C ATOM 0 H THR A 82 14.012 -15.134 -15.254 1.00 0.00 H new ATOM 0 HA THR A 82 12.240 -12.921 -15.473 1.00 0.00 H new ATOM 0 HB THR A 82 14.290 -11.700 -16.175 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.781 -14.099 -15.791 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.591 -12.062 -14.111 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.841 -12.025 -13.787 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.706 -13.580 -13.824 1.00 0.00 H new ATOM 1281 N LYS A 83 13.410 -14.292 -18.245 1.00 0.00 N ATOM 1282 CA LYS A 83 13.214 -14.379 -19.688 1.00 0.00 C ATOM 1283 C LYS A 83 11.741 -14.588 -20.025 1.00 0.00 C ATOM 1284 O LYS A 83 11.294 -14.270 -21.127 1.00 0.00 O ATOM 1285 CB LYS A 83 14.048 -15.524 -20.268 1.00 0.00 C ATOM 1286 CG LYS A 83 13.751 -15.812 -21.729 1.00 0.00 C ATOM 1287 CD LYS A 83 14.919 -16.508 -22.408 1.00 0.00 C ATOM 1288 CE LYS A 83 14.564 -16.938 -23.824 1.00 0.00 C ATOM 1289 NZ LYS A 83 15.708 -17.607 -24.503 1.00 0.00 N ATOM 0 H LYS A 83 14.096 -14.948 -17.873 1.00 0.00 H new ATOM 0 HA LYS A 83 13.540 -13.438 -20.132 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.106 -15.282 -20.162 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.867 -16.426 -19.684 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.861 -16.436 -21.804 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.531 -14.879 -22.247 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.778 -15.838 -22.435 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.213 -17.380 -21.825 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.712 -17.617 -23.795 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.258 -16.066 -24.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.426 -17.885 -25.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.513 -16.951 -24.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.984 -18.453 -23.965 1.00 0.00 H new ATOM 1303 N THR A 84 10.989 -15.123 -19.067 1.00 0.00 N ATOM 1304 CA THR A 84 9.567 -15.373 -19.262 1.00 0.00 C ATOM 1305 C THR A 84 8.721 -14.343 -18.524 1.00 0.00 C ATOM 1306 O THR A 84 7.593 -14.626 -18.118 1.00 0.00 O ATOM 1307 CB THR A 84 9.174 -16.783 -18.782 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.833 -17.083 -19.187 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.287 -16.890 -17.268 1.00 0.00 C ATOM 0 H THR A 84 11.342 -15.391 -18.148 1.00 0.00 H new ATOM 0 HA THR A 84 9.376 -15.295 -20.332 1.00 0.00 H new ATOM 0 HB THR A 84 9.859 -17.500 -19.234 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.236 -16.359 -18.904 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.005 -17.894 -16.952 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.315 -16.690 -16.965 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.623 -16.163 -16.801 1.00 0.00 H new ATOM 1317 N PHE A 85 9.270 -13.145 -18.355 1.00 0.00 N ATOM 1318 CA PHE A 85 8.565 -12.071 -17.665 1.00 0.00 C ATOM 1319 C PHE A 85 8.116 -10.995 -18.649 1.00 0.00 C ATOM 1320 O PHE A 85 6.965 -10.556 -18.625 1.00 0.00 O ATOM 1321 CB PHE A 85 9.461 -11.452 -16.589 1.00 0.00 C ATOM 1322 CG PHE A 85 8.778 -11.289 -15.262 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.307 -12.393 -14.569 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.607 -10.031 -14.706 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.678 -12.245 -13.348 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.979 -9.877 -13.484 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.515 -10.986 -12.804 1.00 0.00 C ATOM 0 H PHE A 85 10.201 -12.893 -18.686 1.00 0.00 H new ATOM 0 HA PHE A 85 7.681 -12.497 -17.191 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.345 -12.077 -16.460 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.808 -10.477 -16.933 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.433 -13.380 -14.988 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.969 -9.161 -15.234 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.314 -13.113 -12.819 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.851 -8.891 -13.062 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.026 -10.869 -11.848 1.00 0.00 H new ATOM 1337 N LEU A 86 9.032 -10.573 -19.514 1.00 0.00 N ATOM 1338 CA LEU A 86 8.732 -9.548 -20.507 1.00 0.00 C ATOM 1339 C LEU A 86 8.825 -10.115 -21.920 1.00 0.00 C ATOM 1340 O LEU A 86 8.222 -9.585 -22.853 1.00 0.00 O ATOM 1341 CB LEU A 86 9.692 -8.366 -20.355 1.00 0.00 C ATOM 1342 CG LEU A 86 11.178 -8.682 -20.531 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.515 -8.861 -22.004 1.00 0.00 C ATOM 1344 CD2 LEU A 86 12.033 -7.583 -19.917 1.00 0.00 C ATOM 0 H LEU A 86 9.989 -10.925 -19.548 1.00 0.00 H new ATOM 0 HA LEU A 86 7.712 -9.203 -20.340 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.415 -7.603 -21.082 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.548 -7.931 -19.366 1.00 0.00 H new ATOM 0 HG LEU A 86 11.395 -9.616 -20.013 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.576 -9.085 -22.110 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.928 -9.683 -22.414 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.282 -7.944 -22.545 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.087 -7.824 -20.051 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.813 -6.634 -20.406 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.812 -7.502 -18.853 1.00 0.00 H new ATOM 1356 N ALA A 87 9.583 -11.196 -22.070 1.00 0.00 N ATOM 1357 CA ALA A 87 9.751 -11.838 -23.368 1.00 0.00 C ATOM 1358 C ALA A 87 8.621 -12.824 -23.643 1.00 0.00 C ATOM 1359 O ALA A 87 8.616 -13.505 -24.668 1.00 0.00 O ATOM 1360 CB ALA A 87 11.098 -12.542 -23.438 1.00 0.00 C ATOM 0 H ALA A 87 10.091 -11.646 -21.308 1.00 0.00 H new ATOM 0 HA ALA A 87 9.718 -11.065 -24.135 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.210 -13.017 -24.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.897 -11.814 -23.295 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.154 -13.300 -22.657 1.00 0.00 H new ATOM 1366 N ALA A 88 7.666 -12.894 -22.722 1.00 0.00 N ATOM 1367 CA ALA A 88 6.530 -13.796 -22.867 1.00 0.00 C ATOM 1368 C ALA A 88 5.230 -13.018 -23.040 1.00 0.00 C ATOM 1369 O ALA A 88 4.189 -13.593 -23.356 1.00 0.00 O ATOM 1370 CB ALA A 88 6.436 -14.724 -21.665 1.00 0.00 C ATOM 0 H ALA A 88 7.656 -12.337 -21.868 1.00 0.00 H new ATOM 0 HA ALA A 88 6.686 -14.396 -23.764 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.583 -15.392 -21.787 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.350 -15.313 -21.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.307 -14.133 -20.758 1.00 0.00 H new ATOM 1376 N ALA A 89 5.298 -11.708 -22.830 1.00 0.00 N ATOM 1377 CA ALA A 89 4.126 -10.851 -22.965 1.00 0.00 C ATOM 1378 C ALA A 89 3.463 -11.037 -24.325 1.00 0.00 C ATOM 1379 O ALA A 89 2.346 -11.547 -24.418 1.00 0.00 O ATOM 1380 CB ALA A 89 4.511 -9.394 -22.758 1.00 0.00 C ATOM 0 H ALA A 89 6.152 -11.217 -22.566 1.00 0.00 H new ATOM 0 HA ALA A 89 3.407 -11.138 -22.198 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.626 -8.766 -22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.931 -9.267 -21.760 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.251 -9.104 -23.503 1.00 0.00 H new ATOM 1386 N ASP A 90 4.157 -10.620 -25.378 1.00 0.00 N ATOM 1387 CA ASP A 90 3.635 -10.741 -26.735 1.00 0.00 C ATOM 1388 C ASP A 90 4.757 -11.043 -27.723 1.00 0.00 C ATOM 1389 O ASP A 90 5.927 -11.123 -27.346 1.00 0.00 O ATOM 1390 CB ASP A 90 2.912 -9.457 -27.143 1.00 0.00 C ATOM 1391 CG ASP A 90 1.787 -9.713 -28.127 1.00 0.00 C ATOM 1392 OD1 ASP A 90 0.678 -10.073 -27.680 1.00 0.00 O ATOM 1393 OD2 ASP A 90 2.017 -9.553 -29.343 1.00 0.00 O ATOM 0 H ASP A 90 5.082 -10.195 -25.319 1.00 0.00 H new ATOM 0 HA ASP A 90 2.926 -11.569 -26.753 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.509 -8.972 -26.254 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.628 -8.765 -27.587 1.00 0.00 H new ATOM 1398 N HIS A 91 4.393 -11.213 -28.991 1.00 0.00 N ATOM 1399 CA HIS A 91 5.369 -11.507 -30.034 1.00 0.00 C ATOM 1400 C HIS A 91 5.549 -10.310 -30.963 1.00 0.00 C ATOM 1401 O HIS A 91 5.948 -10.463 -32.117 1.00 0.00 O ATOM 1402 CB HIS A 91 4.932 -12.731 -30.839 1.00 0.00 C ATOM 1403 CG HIS A 91 4.483 -13.879 -29.988 1.00 0.00 C ATOM 1404 ND1 HIS A 91 5.359 -14.740 -29.362 1.00 0.00 N ATOM 1405 CD2 HIS A 91 3.241 -14.305 -29.660 1.00 0.00 C ATOM 1406 CE1 HIS A 91 4.676 -15.646 -28.687 1.00 0.00 C ATOM 1407 NE2 HIS A 91 3.388 -15.404 -28.851 1.00 0.00 N ATOM 0 H HIS A 91 3.430 -11.152 -29.320 1.00 0.00 H new ATOM 0 HA HIS A 91 6.325 -11.719 -29.554 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.119 -12.445 -31.507 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.761 -13.057 -31.467 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.308 -13.863 -29.976 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.099 -16.448 -28.101 1.00 0.00 H new ATOM 0 HE2 HIS A 91 2.626 -15.946 -28.443 1.00 0.00 H new ATOM 1415 N ASP A 92 5.252 -9.121 -30.451 1.00 0.00 N ATOM 1416 CA ASP A 92 5.381 -7.898 -31.235 1.00 0.00 C ATOM 1417 C ASP A 92 6.782 -7.778 -31.828 1.00 0.00 C ATOM 1418 O ASP A 92 6.947 -7.383 -32.981 1.00 0.00 O ATOM 1419 CB ASP A 92 5.075 -6.676 -30.367 1.00 0.00 C ATOM 1420 CG ASP A 92 5.464 -5.375 -31.041 1.00 0.00 C ATOM 1421 OD1 ASP A 92 6.620 -4.936 -30.862 1.00 0.00 O ATOM 1422 OD2 ASP A 92 4.613 -4.796 -31.747 1.00 0.00 O ATOM 0 H ASP A 92 4.920 -8.978 -29.497 1.00 0.00 H new ATOM 0 HA ASP A 92 4.662 -7.942 -32.053 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.010 -6.657 -30.134 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.607 -6.764 -29.420 1.00 0.00 H new ATOM 1427 N GLY A 93 7.788 -8.121 -31.030 1.00 0.00 N ATOM 1428 CA GLY A 93 9.162 -8.043 -31.493 1.00 0.00 C ATOM 1429 C GLY A 93 10.135 -8.700 -30.534 1.00 0.00 C ATOM 1430 O GLY A 93 10.548 -9.841 -30.742 1.00 0.00 O ATOM 0 H GLY A 93 7.677 -8.451 -30.071 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.241 -8.521 -32.470 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.438 -6.997 -31.626 1.00 0.00 H new ATOM 1434 N ASP A 94 10.503 -7.979 -29.481 1.00 0.00 N ATOM 1435 CA ASP A 94 11.434 -8.498 -28.486 1.00 0.00 C ATOM 1436 C ASP A 94 10.776 -8.573 -27.112 1.00 0.00 C ATOM 1437 O ASP A 94 11.310 -9.186 -26.189 1.00 0.00 O ATOM 1438 CB ASP A 94 12.684 -7.619 -28.419 1.00 0.00 C ATOM 1439 CG ASP A 94 13.899 -8.292 -29.025 1.00 0.00 C ATOM 1440 OD1 ASP A 94 13.752 -8.943 -30.081 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.998 -8.170 -28.443 1.00 0.00 O ATOM 0 H ASP A 94 10.171 -7.033 -29.294 1.00 0.00 H new ATOM 0 HA ASP A 94 11.723 -9.505 -28.786 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.494 -6.681 -28.941 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.892 -7.368 -27.379 1.00 0.00 H new ATOM 1446 N GLY A 95 9.612 -7.944 -26.984 1.00 0.00 N ATOM 1447 CA GLY A 95 8.900 -7.951 -25.719 1.00 0.00 C ATOM 1448 C GLY A 95 8.715 -6.558 -25.150 1.00 0.00 C ATOM 1449 O GLY A 95 8.571 -6.387 -23.939 1.00 0.00 O ATOM 0 H GLY A 95 9.149 -7.430 -27.733 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.924 -8.416 -25.858 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.446 -8.564 -25.002 1.00 0.00 H new ATOM 1453 N LYS A 96 8.720 -5.558 -26.025 1.00 0.00 N ATOM 1454 CA LYS A 96 8.552 -4.172 -25.604 1.00 0.00 C ATOM 1455 C LYS A 96 7.213 -3.975 -24.900 1.00 0.00 C ATOM 1456 O LYS A 96 6.160 -3.968 -25.539 1.00 0.00 O ATOM 1457 CB LYS A 96 8.647 -3.236 -26.811 1.00 0.00 C ATOM 1458 CG LYS A 96 10.066 -2.798 -27.131 1.00 0.00 C ATOM 1459 CD LYS A 96 10.784 -3.820 -27.997 1.00 0.00 C ATOM 1460 CE LYS A 96 10.291 -3.776 -29.435 1.00 0.00 C ATOM 1461 NZ LYS A 96 10.916 -2.663 -30.202 1.00 0.00 N ATOM 0 H LYS A 96 8.839 -5.682 -27.031 1.00 0.00 H new ATOM 0 HA LYS A 96 9.351 -3.933 -24.902 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.225 -3.737 -27.682 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.036 -2.353 -26.624 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.044 -1.837 -27.644 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.620 -2.652 -26.204 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.857 -3.629 -27.973 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.628 -4.818 -27.588 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.514 -4.724 -29.924 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.207 -3.659 -29.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.554 -2.667 -31.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.683 -1.756 -29.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.948 -2.788 -30.216 1.00 0.00 H new ATOM 1475 N ILE A 97 7.261 -3.815 -23.582 1.00 0.00 N ATOM 1476 CA ILE A 97 6.052 -3.616 -22.793 1.00 0.00 C ATOM 1477 C ILE A 97 5.656 -2.144 -22.755 1.00 0.00 C ATOM 1478 O ILE A 97 6.507 -1.259 -22.840 1.00 0.00 O ATOM 1479 CB ILE A 97 6.231 -4.125 -21.351 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.828 -5.534 -21.354 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.899 -4.111 -20.615 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.980 -6.548 -22.088 1.00 0.00 C ATOM 0 H ILE A 97 8.124 -3.819 -23.038 1.00 0.00 H new ATOM 0 HA ILE A 97 5.262 -4.190 -23.277 1.00 0.00 H new ATOM 0 HB ILE A 97 6.920 -3.460 -20.830 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.817 -5.500 -21.812 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.965 -5.864 -20.324 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.042 -4.474 -19.597 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.510 -3.093 -20.586 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.190 -4.756 -21.134 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.464 -7.524 -22.049 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.999 -6.611 -21.617 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.864 -6.241 -23.128 1.00 0.00 H new ATOM 1494 N GLY A 98 4.358 -1.889 -22.625 1.00 0.00 N ATOM 1495 CA GLY A 98 3.872 -0.522 -22.577 1.00 0.00 C ATOM 1496 C GLY A 98 2.558 -0.400 -21.830 1.00 0.00 C ATOM 1497 O GLY A 98 1.571 0.095 -22.374 1.00 0.00 O ATOM 0 H GLY A 98 3.634 -2.604 -22.552 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.619 0.110 -22.097 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.745 -0.149 -23.593 1.00 0.00 H new ATOM 1501 N ALA A 99 2.544 -0.854 -20.581 1.00 0.00 N ATOM 1502 CA ALA A 99 1.342 -0.793 -19.760 1.00 0.00 C ATOM 1503 C ALA A 99 0.147 -1.397 -20.490 1.00 0.00 C ATOM 1504 O ALA A 99 -0.989 -0.960 -20.306 1.00 0.00 O ATOM 1505 CB ALA A 99 1.048 0.645 -19.360 1.00 0.00 C ATOM 0 H ALA A 99 3.352 -1.268 -20.116 1.00 0.00 H new ATOM 0 HA ALA A 99 1.518 -1.380 -18.858 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.147 0.675 -18.747 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.888 1.043 -18.791 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.898 1.248 -20.255 1.00 0.00 H new ATOM 1511 N GLU A 100 0.411 -2.402 -21.318 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.644 -3.064 -22.077 1.00 0.00 C ATOM 1513 C GLU A 100 -0.382 -4.564 -22.178 1.00 0.00 C ATOM 1514 O GLU A 100 -1.206 -5.377 -21.762 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.752 -2.458 -23.477 1.00 0.00 C ATOM 1516 CG GLU A 100 -1.294 -1.038 -23.486 1.00 0.00 C ATOM 1517 CD GLU A 100 -1.045 -0.327 -24.802 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -1.469 -0.855 -25.851 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -0.426 0.758 -24.783 1.00 0.00 O ATOM 0 H GLU A 100 1.346 -2.776 -21.481 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.586 -2.912 -21.550 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.233 -2.465 -23.944 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.398 -3.088 -24.088 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.365 -1.061 -23.287 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.831 -0.471 -22.678 1.00 0.00 H new ATOM 1526 N GLU A 101 0.771 -4.921 -22.736 1.00 0.00 N ATOM 1527 CA GLU A 101 1.140 -6.323 -22.893 1.00 0.00 C ATOM 1528 C GLU A 101 1.114 -7.047 -21.551 1.00 0.00 C ATOM 1529 O GLU A 101 0.419 -8.050 -21.387 1.00 0.00 O ATOM 1530 CB GLU A 101 2.531 -6.439 -23.521 1.00 0.00 C ATOM 1531 CG GLU A 101 2.558 -6.114 -25.005 1.00 0.00 C ATOM 1532 CD GLU A 101 3.949 -6.221 -25.600 1.00 0.00 C ATOM 1533 OE1 GLU A 101 4.859 -6.707 -24.896 1.00 0.00 O ATOM 1534 OE2 GLU A 101 4.127 -5.818 -26.768 1.00 0.00 O ATOM 0 H GLU A 101 1.464 -4.260 -23.086 1.00 0.00 H new ATOM 0 HA GLU A 101 0.410 -6.793 -23.553 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.213 -5.769 -22.998 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.904 -7.452 -23.373 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.888 -6.791 -25.534 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.178 -5.104 -25.159 1.00 0.00 H new ATOM 1541 N PHE A 102 1.876 -6.531 -20.592 1.00 0.00 N ATOM 1542 CA PHE A 102 1.942 -7.129 -19.263 1.00 0.00 C ATOM 1543 C PHE A 102 0.547 -7.273 -18.662 1.00 0.00 C ATOM 1544 O PHE A 102 0.174 -8.345 -18.187 1.00 0.00 O ATOM 1545 CB PHE A 102 2.821 -6.280 -18.342 1.00 0.00 C ATOM 1546 CG PHE A 102 3.481 -7.069 -17.248 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.721 -7.797 -16.346 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.860 -7.083 -17.121 1.00 0.00 C ATOM 1549 CE1 PHE A 102 3.325 -8.525 -15.338 1.00 0.00 C ATOM 1550 CE2 PHE A 102 5.470 -7.810 -16.116 1.00 0.00 C ATOM 1551 CZ PHE A 102 4.701 -8.530 -15.223 1.00 0.00 C ATOM 0 H PHE A 102 2.456 -5.700 -20.710 1.00 0.00 H new ATOM 0 HA PHE A 102 2.381 -8.122 -19.360 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.589 -5.788 -18.938 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.212 -5.494 -17.895 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.644 -7.795 -16.432 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.466 -6.519 -17.815 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.722 -9.089 -14.642 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.546 -7.815 -16.029 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.175 -9.096 -14.435 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.217 -6.186 -18.687 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.571 -6.192 -18.144 1.00 0.00 C ATOM 1563 C GLN A 103 -2.406 -7.301 -18.775 1.00 0.00 C ATOM 1564 O GLN A 103 -2.972 -8.139 -18.074 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.241 -4.837 -18.375 1.00 0.00 C ATOM 1566 CG GLN A 103 -1.935 -3.813 -17.294 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.449 -3.554 -17.140 1.00 0.00 C ATOM 1568 OE1 GLN A 103 0.077 -3.535 -16.027 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.236 -3.353 -18.259 1.00 0.00 N ATOM 0 H GLN A 103 0.078 -5.291 -19.077 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.505 -6.378 -17.072 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.920 -4.442 -19.339 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.320 -4.980 -18.433 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.440 -2.877 -17.532 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.340 -4.161 -16.344 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.241 -3.378 -19.160 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.239 -3.174 -18.218 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.479 -7.298 -20.102 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.247 -8.304 -20.826 1.00 0.00 C ATOM 1580 C GLU A 104 -2.823 -9.711 -20.416 1.00 0.00 C ATOM 1581 O GLU A 104 -3.663 -10.568 -20.143 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.068 -8.125 -22.335 1.00 0.00 C ATOM 1583 CG GLU A 104 -4.063 -7.159 -22.956 1.00 0.00 C ATOM 1584 CD GLU A 104 -4.198 -7.345 -24.455 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -3.429 -8.146 -25.026 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -5.074 -6.688 -25.057 1.00 0.00 O ATOM 0 H GLU A 104 -2.016 -6.611 -20.697 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.299 -8.172 -20.574 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.057 -7.769 -22.533 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.165 -9.096 -22.821 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.038 -7.296 -22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.750 -6.136 -22.747 1.00 0.00 H new ATOM 1593 N MET A 105 -1.515 -9.941 -20.375 1.00 0.00 N ATOM 1594 CA MET A 105 -0.980 -11.244 -19.997 1.00 0.00 C ATOM 1595 C MET A 105 -1.628 -11.746 -18.711 1.00 0.00 C ATOM 1596 O MET A 105 -1.728 -12.952 -18.484 1.00 0.00 O ATOM 1597 CB MET A 105 0.538 -11.164 -19.821 1.00 0.00 C ATOM 1598 CG MET A 105 1.118 -12.319 -19.021 1.00 0.00 C ATOM 1599 SD MET A 105 2.765 -12.793 -19.580 1.00 0.00 S ATOM 1600 CE MET A 105 3.658 -11.260 -19.340 1.00 0.00 C ATOM 0 H MET A 105 -0.806 -9.243 -20.599 1.00 0.00 H new ATOM 0 HA MET A 105 -1.209 -11.949 -20.796 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.009 -11.141 -20.804 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.789 -10.227 -19.325 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.162 -12.041 -17.968 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.452 -13.178 -19.096 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.708 -11.407 -19.592 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.236 -10.488 -19.983 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.575 -10.950 -18.298 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.066 -10.813 -17.871 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.705 -11.161 -16.608 1.00 0.00 C ATOM 1612 C VAL A 106 -4.194 -11.423 -16.799 1.00 0.00 C ATOM 1613 O VAL A 106 -4.713 -12.452 -16.367 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.522 -10.046 -15.560 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.069 -10.486 -14.211 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.055 -9.657 -15.449 1.00 0.00 C ATOM 0 H VAL A 106 -1.990 -9.810 -18.043 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.222 -12.070 -16.249 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.084 -9.170 -15.884 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.931 -9.686 -13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.131 -10.711 -14.305 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.537 -11.377 -13.876 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.943 -8.869 -14.705 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.470 -10.526 -15.148 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.700 -9.297 -16.415 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.876 -10.486 -17.450 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.307 -10.617 -17.698 1.00 0.00 C ATOM 1628 C GLN A 107 -6.602 -11.850 -18.546 1.00 0.00 C ATOM 1629 O GLN A 107 -7.715 -12.374 -18.529 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.841 -9.364 -18.395 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.532 -8.075 -17.651 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.720 -8.207 -16.152 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -7.709 -8.773 -15.687 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -5.769 -7.683 -15.388 1.00 0.00 N ATOM 0 H GLN A 107 -4.461 -9.629 -17.815 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.808 -10.732 -16.737 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.415 -9.306 -19.397 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.921 -9.456 -18.512 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.505 -7.777 -17.860 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.177 -7.280 -18.026 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.966 -7.223 -15.817 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.841 -7.741 -14.372 1.00 0.00 H new ATOM 1643 N SER A 108 -5.597 -12.307 -19.287 1.00 0.00 N ATOM 1644 CA SER A 108 -5.751 -13.476 -20.145 1.00 0.00 C ATOM 1645 C SER A 108 -4.833 -14.607 -19.690 1.00 0.00 C ATOM 1646 O SER A 108 -4.363 -15.402 -20.503 1.00 0.00 O ATOM 1647 CB SER A 108 -5.447 -13.111 -21.599 1.00 0.00 C ATOM 1648 OG SER A 108 -6.031 -14.044 -22.491 1.00 0.00 O ATOM 0 H SER A 108 -4.668 -11.886 -19.310 1.00 0.00 H new ATOM 0 HA SER A 108 -6.784 -13.817 -20.072 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.826 -12.112 -21.813 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.368 -13.083 -21.752 1.00 0.00 H new ATOM 0 HG SER A 108 -5.760 -14.951 -22.239 1.00 0.00 H new TER 1654 SER A 108