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= -2.64 K(o=-2.6,f=-0.56) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -13:sc= 0.124 USER MOD Single : A 7 SER OG : rot -126:sc= 1.13 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 156:sc= 0.24 USER MOD Single : A 19 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 23 SER OG : rot 62:sc= -0.0632 USER MOD Single : A 25 SER OG : rot 180:sc= -0.369 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.0149 (180deg=0.0125) USER MOD Single : A 31 GLN : amide:sc= 1.2 K(o=1.2,f=-0.032) USER MOD Single : A 33 SER OG : rot -140:sc= -0.0973 USER MOD Single : A 35 MET CE :methyl -155:sc= -3.83 (180deg=-6.46!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= -0.495 (180deg=-0.593) USER MOD Single : A 40 SER OG : rot -62:sc= 1.16 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 1.01 (180deg=0.3) USER MOD Single : A 52 ASN : amide:sc=-0.00297 X(o=-0.003,f=-0.042) USER MOD Single : A 54 GLN : amide:sc= -0.534 K(o=-0.53,f=-6.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0185 USER MOD Single : A 68 GLN : amide:sc= -0.896 K(o=-0.9,f=-0.34) USER MOD Single : A 72 SER OG : rot -47:sc= 0.322 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 80 SER OG : rot 150:sc= -0.0208 USER MOD Single : A 82 THR OG1 : rot -71:sc= 1.31 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -53:sc= 0.892 USER MOD Single : A 91 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -5.06! C(o=-5.1!,f=-4.5!) USER MOD Single : A 105 MET CE :methyl -126:sc= -0.713 (180deg=-2.99!) USER MOD Single : A 107 GLN : amide:sc= -4.26 K(o=-4.3,f=-13!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.383 0.052 0.017 1.00 0.00 N ATOM 2 CA SER A 1 2.157 0.042 -1.219 1.00 0.00 C ATOM 3 C SER A 1 2.123 -1.337 -1.871 1.00 0.00 C ATOM 4 O SER A 1 1.478 -1.534 -2.901 1.00 0.00 O ATOM 5 CB SER A 1 3.604 0.454 -0.943 1.00 0.00 C ATOM 6 OG SER A 1 3.735 1.864 -0.905 1.00 0.00 O ATOM 0 H1 SER A 1 1.421 1.000 0.443 1.00 0.00 H new ATOM 0 H2 SER A 1 0.394 -0.195 -0.190 1.00 0.00 H new ATOM 0 H3 SER A 1 1.781 -0.642 0.682 1.00 0.00 H new ATOM 0 HA SER A 1 1.708 0.759 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.931 0.030 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.255 0.046 -1.716 1.00 0.00 H new ATOM 0 HG SER A 1 4.669 2.101 -0.725 1.00 0.00 H new ATOM 12 N LEU A 2 2.823 -2.288 -1.263 1.00 0.00 N ATOM 13 CA LEU A 2 2.874 -3.651 -1.782 1.00 0.00 C ATOM 14 C LEU A 2 1.680 -4.465 -1.295 1.00 0.00 C ATOM 15 O LEU A 2 1.149 -4.222 -0.210 1.00 0.00 O ATOM 16 CB LEU A 2 4.177 -4.331 -1.357 1.00 0.00 C ATOM 17 CG LEU A 2 4.500 -5.655 -2.050 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.524 -5.443 -3.154 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.004 -6.676 -1.041 1.00 0.00 C ATOM 0 H LEU A 2 3.363 -2.141 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 2 2.835 -3.600 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.000 -3.639 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.138 -4.507 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 2 3.585 -6.040 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.742 -6.396 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.125 -4.746 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.440 -5.035 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.229 -7.612 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.907 -6.298 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.238 -6.850 -0.286 1.00 0.00 H new ATOM 31 N THR A 3 1.261 -5.434 -2.103 1.00 0.00 N ATOM 32 CA THR A 3 0.131 -6.285 -1.754 1.00 0.00 C ATOM 33 C THR A 3 -1.073 -5.452 -1.329 1.00 0.00 C ATOM 34 O THR A 3 -1.872 -5.879 -0.494 1.00 0.00 O ATOM 35 CB THR A 3 0.492 -7.262 -0.619 1.00 0.00 C ATOM 36 OG1 THR A 3 0.502 -6.573 0.636 1.00 0.00 O ATOM 37 CG2 THR A 3 1.851 -7.898 -0.865 1.00 0.00 C ATOM 0 H THR A 3 1.688 -5.649 -3.004 1.00 0.00 H new ATOM 0 HA THR A 3 -0.122 -6.856 -2.647 1.00 0.00 H new ATOM 0 HB THR A 3 -0.261 -8.050 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.484 -5.606 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.084 -8.584 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.831 -8.446 -1.807 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.613 -7.120 -0.914 1.00 0.00 H new ATOM 45 N ASP A 4 -1.199 -4.263 -1.908 1.00 0.00 N ATOM 46 CA ASP A 4 -2.308 -3.371 -1.590 1.00 0.00 C ATOM 47 C ASP A 4 -3.591 -3.835 -2.271 1.00 0.00 C ATOM 48 O ASP A 4 -4.486 -4.380 -1.624 1.00 0.00 O ATOM 49 CB ASP A 4 -1.978 -1.940 -2.017 1.00 0.00 C ATOM 50 CG ASP A 4 -3.204 -1.049 -2.052 1.00 0.00 C ATOM 51 OD1 ASP A 4 -4.037 -1.150 -1.128 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.329 -0.251 -3.004 1.00 0.00 O ATOM 0 H ASP A 4 -0.547 -3.894 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.462 -3.394 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.246 -1.518 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.516 -1.956 -3.004 1.00 0.00 H new ATOM 57 N ILE A 5 -3.674 -3.615 -3.578 1.00 0.00 N ATOM 58 CA ILE A 5 -4.848 -4.011 -4.346 1.00 0.00 C ATOM 59 C ILE A 5 -4.971 -5.529 -4.419 1.00 0.00 C ATOM 60 O ILE A 5 -6.063 -6.067 -4.608 1.00 0.00 O ATOM 61 CB ILE A 5 -4.804 -3.442 -5.777 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.178 -2.901 -6.177 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.342 -4.509 -6.757 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.162 -1.440 -6.567 1.00 0.00 C ATOM 0 H ILE A 5 -2.942 -3.165 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.716 -3.603 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.090 -2.619 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.561 -3.487 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.870 -3.039 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.316 -4.092 -7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.345 -4.850 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.034 -5.351 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.170 -1.125 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.809 -0.843 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.496 -1.298 -7.418 1.00 0.00 H new ATOM 76 N LEU A 6 -3.844 -6.217 -4.266 1.00 0.00 N ATOM 77 CA LEU A 6 -3.825 -7.674 -4.313 1.00 0.00 C ATOM 78 C LEU A 6 -4.007 -8.266 -2.919 1.00 0.00 C ATOM 79 O LEU A 6 -4.326 -7.553 -1.968 1.00 0.00 O ATOM 80 CB LEU A 6 -2.511 -8.168 -4.921 1.00 0.00 C ATOM 81 CG LEU A 6 -2.632 -8.987 -6.206 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.538 -8.602 -7.190 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.575 -10.476 -5.897 1.00 0.00 C ATOM 0 H LEU A 6 -2.932 -5.788 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.654 -8.003 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.880 -7.303 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.994 -8.773 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.597 -8.768 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.640 -9.195 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.626 -7.544 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.563 -8.790 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.663 -11.043 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.626 -10.712 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.396 -10.741 -5.230 1.00 0.00 H new ATOM 95 N SER A 7 -3.800 -9.574 -2.805 1.00 0.00 N ATOM 96 CA SER A 7 -3.943 -10.262 -1.527 1.00 0.00 C ATOM 97 C SER A 7 -2.579 -10.643 -0.960 1.00 0.00 C ATOM 98 O SER A 7 -1.837 -11.438 -1.538 1.00 0.00 O ATOM 99 CB SER A 7 -4.807 -11.514 -1.692 1.00 0.00 C ATOM 100 OG SER A 7 -5.661 -11.694 -0.575 1.00 0.00 O ATOM 0 H SER A 7 -3.533 -10.179 -3.582 1.00 0.00 H new ATOM 0 HA SER A 7 -4.431 -9.582 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.404 -11.431 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.167 -12.389 -1.810 1.00 0.00 H new ATOM 0 HG SER A 7 -5.535 -12.594 -0.208 1.00 0.00 H new ATOM 106 N PRO A 8 -2.238 -10.063 0.200 1.00 0.00 N ATOM 107 CA PRO A 8 -0.962 -10.326 0.872 1.00 0.00 C ATOM 108 C PRO A 8 -0.888 -11.738 1.444 1.00 0.00 C ATOM 109 O PRO A 8 0.198 -12.280 1.646 1.00 0.00 O ATOM 110 CB PRO A 8 -0.935 -9.290 1.999 1.00 0.00 C ATOM 111 CG PRO A 8 -2.368 -8.986 2.269 1.00 0.00 C ATOM 112 CD PRO A 8 -3.073 -9.106 0.946 1.00 0.00 C ATOM 0 HA PRO A 8 -0.118 -10.253 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.440 -9.684 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.390 -8.395 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.784 -9.682 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.483 -7.984 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.093 -9.471 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.136 -8.145 0.436 1.00 0.00 H new ATOM 120 N SER A 9 -2.051 -12.328 1.703 1.00 0.00 N ATOM 121 CA SER A 9 -2.117 -13.676 2.255 1.00 0.00 C ATOM 122 C SER A 9 -2.218 -14.714 1.141 1.00 0.00 C ATOM 123 O SER A 9 -2.569 -15.869 1.384 1.00 0.00 O ATOM 124 CB SER A 9 -3.315 -13.805 3.197 1.00 0.00 C ATOM 125 OG SER A 9 -3.377 -12.712 4.097 1.00 0.00 O ATOM 0 H SER A 9 -2.959 -11.894 1.540 1.00 0.00 H new ATOM 0 HA SER A 9 -1.201 -13.858 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.235 -13.853 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.242 -14.737 3.757 1.00 0.00 H new ATOM 0 HG SER A 9 -4.152 -12.818 4.687 1.00 0.00 H new ATOM 131 N ASP A 10 -1.906 -14.295 -0.080 1.00 0.00 N ATOM 132 CA ASP A 10 -1.959 -15.188 -1.232 1.00 0.00 C ATOM 133 C ASP A 10 -0.664 -15.117 -2.034 1.00 0.00 C ATOM 134 O ASP A 10 -0.206 -16.121 -2.581 1.00 0.00 O ATOM 135 CB ASP A 10 -3.148 -14.831 -2.126 1.00 0.00 C ATOM 136 CG ASP A 10 -4.468 -14.891 -1.384 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.624 -14.152 -0.390 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.346 -15.677 -1.798 1.00 0.00 O ATOM 0 H ASP A 10 -1.614 -13.342 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.083 -16.207 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.007 -13.829 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.180 -15.515 -2.974 1.00 0.00 H new ATOM 143 N ILE A 11 -0.079 -13.926 -2.101 1.00 0.00 N ATOM 144 CA ILE A 11 1.163 -13.725 -2.837 1.00 0.00 C ATOM 145 C ILE A 11 2.291 -14.569 -2.252 1.00 0.00 C ATOM 146 O ILE A 11 3.220 -14.957 -2.959 1.00 0.00 O ATOM 147 CB ILE A 11 1.588 -12.245 -2.831 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.503 -11.377 -3.471 1.00 0.00 C ATOM 149 CG2 ILE A 11 2.912 -12.071 -3.560 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.418 -9.985 -2.885 1.00 0.00 C ATOM 0 H ILE A 11 -0.445 -13.085 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 11 0.975 -14.036 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 11 1.720 -11.925 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.695 -11.301 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.462 -11.871 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.199 -11.020 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.681 -12.663 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.806 -12.406 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.372 -9.427 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.195 -10.052 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.370 -9.472 -3.025 1.00 0.00 H new ATOM 162 N ALA A 12 2.201 -14.850 -0.956 1.00 0.00 N ATOM 163 CA ALA A 12 3.212 -15.651 -0.277 1.00 0.00 C ATOM 164 C ALA A 12 3.078 -17.126 -0.640 1.00 0.00 C ATOM 165 O ALA A 12 4.069 -17.853 -0.698 1.00 0.00 O ATOM 166 CB ALA A 12 3.108 -15.464 1.229 1.00 0.00 C ATOM 0 H ALA A 12 1.439 -14.535 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 12 4.193 -15.311 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.869 -16.068 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.261 -14.414 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.120 -15.777 1.567 1.00 0.00 H new ATOM 172 N ALA A 13 1.846 -17.562 -0.881 1.00 0.00 N ATOM 173 CA ALA A 13 1.583 -18.950 -1.239 1.00 0.00 C ATOM 174 C ALA A 13 2.283 -19.323 -2.542 1.00 0.00 C ATOM 175 O ALA A 13 2.588 -20.491 -2.781 1.00 0.00 O ATOM 176 CB ALA A 13 0.085 -19.191 -1.355 1.00 0.00 C ATOM 0 H ALA A 13 1.014 -16.974 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 13 1.982 -19.585 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.096 -20.232 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.394 -18.973 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.330 -18.541 -2.125 1.00 0.00 H new ATOM 182 N ALA A 14 2.534 -18.323 -3.381 1.00 0.00 N ATOM 183 CA ALA A 14 3.199 -18.547 -4.658 1.00 0.00 C ATOM 184 C ALA A 14 4.714 -18.568 -4.492 1.00 0.00 C ATOM 185 O ALA A 14 5.395 -19.447 -5.021 1.00 0.00 O ATOM 186 CB ALA A 14 2.791 -17.477 -5.660 1.00 0.00 C ATOM 0 H ALA A 14 2.287 -17.350 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 14 2.888 -19.521 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.295 -17.657 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.712 -17.511 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.073 -16.495 -5.279 1.00 0.00 H new ATOM 192 N LEU A 15 5.237 -17.594 -3.755 1.00 0.00 N ATOM 193 CA LEU A 15 6.674 -17.501 -3.519 1.00 0.00 C ATOM 194 C LEU A 15 7.212 -18.793 -2.913 1.00 0.00 C ATOM 195 O LEU A 15 8.390 -19.118 -3.064 1.00 0.00 O ATOM 196 CB LEU A 15 6.983 -16.323 -2.593 1.00 0.00 C ATOM 197 CG LEU A 15 6.712 -14.931 -3.164 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.742 -13.885 -2.060 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.724 -14.593 -4.249 1.00 0.00 C ATOM 0 H LEU A 15 4.688 -16.858 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 15 7.165 -17.340 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.397 -16.440 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.033 -16.378 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 15 5.717 -14.930 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.547 -12.901 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.978 -14.117 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.723 -13.887 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.516 -13.599 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.729 -14.613 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.653 -15.325 -5.053 1.00 0.00 H new ATOM 211 N ARG A 16 6.341 -19.527 -2.229 1.00 0.00 N ATOM 212 CA ARG A 16 6.728 -20.785 -1.602 1.00 0.00 C ATOM 213 C ARG A 16 6.426 -21.966 -2.520 1.00 0.00 C ATOM 214 O ARG A 16 6.937 -23.068 -2.318 1.00 0.00 O ATOM 215 CB ARG A 16 5.997 -20.961 -0.270 1.00 0.00 C ATOM 216 CG ARG A 16 6.521 -22.119 0.564 1.00 0.00 C ATOM 217 CD ARG A 16 5.662 -23.362 0.393 1.00 0.00 C ATOM 218 NE ARG A 16 4.559 -23.402 1.350 1.00 0.00 N ATOM 219 CZ ARG A 16 3.600 -24.320 1.328 1.00 0.00 C ATOM 220 NH1 ARG A 16 3.607 -25.270 0.403 1.00 0.00 N ATOM 221 NH2 ARG A 16 2.630 -24.289 2.233 1.00 0.00 N ATOM 0 H ARG A 16 5.362 -19.272 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 16 7.802 -20.755 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.084 -20.040 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.936 -21.116 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.548 -22.342 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.542 -21.832 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.263 -23.390 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.281 -24.250 0.517 1.00 0.00 H new ATOM 0 HE ARG A 16 4.524 -22.685 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.351 -25.297 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.869 -25.974 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.621 -23.560 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.894 -24.994 2.216 1.00 0.00 H new ATOM 235 N ASP A 17 5.594 -21.728 -3.527 1.00 0.00 N ATOM 236 CA ASP A 17 5.225 -22.771 -4.477 1.00 0.00 C ATOM 237 C ASP A 17 5.880 -22.529 -5.833 1.00 0.00 C ATOM 238 O ASP A 17 5.439 -23.064 -6.851 1.00 0.00 O ATOM 239 CB ASP A 17 3.705 -22.832 -4.635 1.00 0.00 C ATOM 240 CG ASP A 17 3.224 -24.198 -5.083 1.00 0.00 C ATOM 241 OD1 ASP A 17 4.077 -25.058 -5.387 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.993 -24.408 -5.129 1.00 0.00 O ATOM 0 H ASP A 17 5.162 -20.822 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 17 5.581 -23.725 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.233 -22.577 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.388 -22.082 -5.360 1.00 0.00 H new ATOM 247 N CYS A 18 6.933 -21.719 -5.839 1.00 0.00 N ATOM 248 CA CYS A 18 7.648 -21.403 -7.071 1.00 0.00 C ATOM 249 C CYS A 18 9.144 -21.267 -6.811 1.00 0.00 C ATOM 250 O CYS A 18 9.878 -20.712 -7.629 1.00 0.00 O ATOM 251 CB CYS A 18 7.105 -20.112 -7.684 1.00 0.00 C ATOM 252 SG CYS A 18 7.699 -18.606 -6.879 1.00 0.00 S ATOM 0 H CYS A 18 7.311 -21.269 -5.005 1.00 0.00 H new ATOM 0 HA CYS A 18 7.492 -22.223 -7.773 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.379 -20.080 -8.738 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.016 -20.131 -7.638 1.00 0.00 H new ATOM 0 HG CYS A 18 7.631 -17.612 -7.714 1.00 0.00 H new ATOM 258 N GLN A 19 9.590 -21.776 -5.667 1.00 0.00 N ATOM 259 CA GLN A 19 10.999 -21.708 -5.298 1.00 0.00 C ATOM 260 C GLN A 19 11.859 -22.484 -6.291 1.00 0.00 C ATOM 261 O GLN A 19 13.076 -22.309 -6.342 1.00 0.00 O ATOM 262 CB GLN A 19 11.206 -22.260 -3.887 1.00 0.00 C ATOM 263 CG GLN A 19 10.720 -23.690 -3.715 1.00 0.00 C ATOM 264 CD GLN A 19 10.560 -24.081 -2.259 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.191 -25.025 -1.784 1.00 0.00 O ATOM 266 NE2 GLN A 19 9.711 -23.354 -1.540 1.00 0.00 N ATOM 0 H GLN A 19 8.996 -22.240 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 19 11.304 -20.662 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.267 -22.213 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.684 -21.620 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.765 -23.809 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.425 -24.369 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.208 -22.580 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.562 -23.570 -0.554 1.00 0.00 H new ATOM 275 N ALA A 20 11.217 -23.341 -7.078 1.00 0.00 N ATOM 276 CA ALA A 20 11.923 -24.143 -8.070 1.00 0.00 C ATOM 277 C ALA A 20 12.221 -23.327 -9.324 1.00 0.00 C ATOM 278 O ALA A 20 11.562 -22.328 -9.615 1.00 0.00 O ATOM 279 CB ALA A 20 11.112 -25.380 -8.424 1.00 0.00 C ATOM 0 H ALA A 20 10.210 -23.498 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 20 12.873 -24.457 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.652 -25.969 -9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.955 -25.981 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.147 -25.078 -8.832 1.00 0.00 H new ATOM 285 N PRO A 21 13.237 -23.759 -10.084 1.00 0.00 N ATOM 286 CA PRO A 21 13.646 -23.082 -11.319 1.00 0.00 C ATOM 287 C PRO A 21 12.616 -23.239 -12.433 1.00 0.00 C ATOM 288 O PRO A 21 11.978 -24.284 -12.559 1.00 0.00 O ATOM 289 CB PRO A 21 14.952 -23.787 -11.695 1.00 0.00 C ATOM 290 CG PRO A 21 14.849 -25.134 -11.068 1.00 0.00 C ATOM 291 CD PRO A 21 14.066 -24.942 -9.798 1.00 0.00 C ATOM 0 HA PRO A 21 13.752 -22.006 -11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.065 -23.861 -12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.818 -23.241 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.347 -25.837 -11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.837 -25.544 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.455 -25.815 -9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.721 -24.776 -8.943 1.00 0.00 H new ATOM 299 N ASP A 22 12.461 -22.194 -13.240 1.00 0.00 N ATOM 300 CA ASP A 22 11.510 -22.217 -14.345 1.00 0.00 C ATOM 301 C ASP A 22 10.130 -22.657 -13.866 1.00 0.00 C ATOM 302 O ASP A 22 9.369 -23.270 -14.614 1.00 0.00 O ATOM 303 CB ASP A 22 12.002 -23.152 -15.450 1.00 0.00 C ATOM 304 CG ASP A 22 11.374 -22.840 -16.795 1.00 0.00 C ATOM 305 OD1 ASP A 22 11.176 -21.644 -17.094 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.082 -23.793 -17.547 1.00 0.00 O ATOM 0 H ASP A 22 12.981 -21.321 -13.149 1.00 0.00 H new ATOM 0 HA ASP A 22 11.431 -21.206 -14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.086 -23.074 -15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.776 -24.183 -15.177 1.00 0.00 H new ATOM 311 N SER A 23 9.815 -22.341 -12.614 1.00 0.00 N ATOM 312 CA SER A 23 8.529 -22.708 -12.033 1.00 0.00 C ATOM 313 C SER A 23 7.701 -21.466 -11.718 1.00 0.00 C ATOM 314 O SER A 23 6.479 -21.538 -11.585 1.00 0.00 O ATOM 315 CB SER A 23 8.737 -23.532 -10.761 1.00 0.00 C ATOM 316 OG SER A 23 9.123 -24.860 -11.070 1.00 0.00 O ATOM 0 H SER A 23 10.433 -21.831 -11.982 1.00 0.00 H new ATOM 0 HA SER A 23 7.987 -23.309 -12.763 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.501 -23.063 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.816 -23.544 -10.177 1.00 0.00 H new ATOM 0 HG SER A 23 9.978 -24.849 -11.549 1.00 0.00 H new ATOM 322 N PHE A 24 8.375 -20.327 -11.601 1.00 0.00 N ATOM 323 CA PHE A 24 7.703 -19.068 -11.301 1.00 0.00 C ATOM 324 C PHE A 24 7.416 -18.286 -12.580 1.00 0.00 C ATOM 325 O PHE A 24 8.210 -18.302 -13.521 1.00 0.00 O ATOM 326 CB PHE A 24 8.557 -18.222 -10.354 1.00 0.00 C ATOM 327 CG PHE A 24 7.912 -16.922 -9.965 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.584 -16.882 -9.574 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.635 -15.741 -9.993 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.988 -15.688 -9.215 1.00 0.00 C ATOM 331 CE2 PHE A 24 8.045 -14.543 -9.635 1.00 0.00 C ATOM 332 CZ PHE A 24 6.719 -14.517 -9.247 1.00 0.00 C ATOM 0 H PHE A 24 9.386 -20.250 -11.709 1.00 0.00 H new ATOM 0 HA PHE A 24 6.754 -19.298 -10.816 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.766 -18.799 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.516 -18.015 -10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.007 -17.795 -9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.671 -15.756 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.952 -15.671 -8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.620 -13.629 -9.659 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.255 -13.582 -8.969 1.00 0.00 H new ATOM 342 N SER A 25 6.276 -17.604 -12.607 1.00 0.00 N ATOM 343 CA SER A 25 5.881 -16.820 -13.771 1.00 0.00 C ATOM 344 C SER A 25 4.725 -15.884 -13.429 1.00 0.00 C ATOM 345 O SER A 25 3.985 -16.096 -12.469 1.00 0.00 O ATOM 346 CB SER A 25 5.480 -17.744 -14.923 1.00 0.00 C ATOM 347 OG SER A 25 5.581 -19.106 -14.543 1.00 0.00 O ATOM 0 H SER A 25 5.609 -17.578 -11.836 1.00 0.00 H new ATOM 0 HA SER A 25 6.735 -16.217 -14.079 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.458 -17.524 -15.231 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.120 -17.555 -15.785 1.00 0.00 H new ATOM 0 HG SER A 25 5.318 -19.676 -15.296 1.00 0.00 H new ATOM 353 N PRO A 26 4.567 -14.823 -14.234 1.00 0.00 N ATOM 354 CA PRO A 26 3.504 -13.833 -14.038 1.00 0.00 C ATOM 355 C PRO A 26 2.121 -14.398 -14.348 1.00 0.00 C ATOM 356 O PRO A 26 1.146 -14.091 -13.662 1.00 0.00 O ATOM 357 CB PRO A 26 3.863 -12.725 -15.031 1.00 0.00 C ATOM 358 CG PRO A 26 4.656 -13.409 -16.091 1.00 0.00 C ATOM 359 CD PRO A 26 5.413 -14.508 -15.397 1.00 0.00 C ATOM 0 HA PRO A 26 3.448 -13.495 -13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.969 -12.259 -15.444 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.441 -11.935 -14.551 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.005 -13.813 -16.866 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.338 -12.713 -16.579 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.546 -15.375 -16.044 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.408 -14.181 -15.094 1.00 0.00 H new ATOM 367 N LYS A 27 2.044 -15.225 -15.384 1.00 0.00 N ATOM 368 CA LYS A 27 0.782 -15.835 -15.785 1.00 0.00 C ATOM 369 C LYS A 27 0.559 -17.155 -15.053 1.00 0.00 C ATOM 370 O LYS A 27 -0.311 -17.944 -15.424 1.00 0.00 O ATOM 371 CB LYS A 27 0.761 -16.068 -17.297 1.00 0.00 C ATOM 372 CG LYS A 27 1.366 -17.397 -17.716 1.00 0.00 C ATOM 373 CD LYS A 27 2.775 -17.564 -17.172 1.00 0.00 C ATOM 374 CE LYS A 27 3.509 -18.702 -17.865 1.00 0.00 C ATOM 375 NZ LYS A 27 4.054 -18.287 -19.187 1.00 0.00 N ATOM 0 H LYS A 27 2.842 -15.489 -15.962 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.024 -15.151 -15.518 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.269 -16.020 -17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.304 -15.260 -17.788 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.738 -18.213 -17.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.385 -17.463 -18.804 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.331 -16.636 -17.307 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.732 -17.757 -16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.323 -19.049 -17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.829 -19.543 -18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.547 -19.090 -19.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.274 -17.980 -19.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.722 -17.501 -19.056 1.00 0.00 H new ATOM 389 N LYS A 28 1.349 -17.389 -14.011 1.00 0.00 N ATOM 390 CA LYS A 28 1.237 -18.612 -13.225 1.00 0.00 C ATOM 391 C LYS A 28 0.911 -18.295 -11.769 1.00 0.00 C ATOM 392 O LYS A 28 0.211 -19.054 -11.099 1.00 0.00 O ATOM 393 CB LYS A 28 2.537 -19.415 -13.304 1.00 0.00 C ATOM 394 CG LYS A 28 2.382 -20.868 -12.890 1.00 0.00 C ATOM 395 CD LYS A 28 2.733 -21.071 -11.426 1.00 0.00 C ATOM 396 CE LYS A 28 2.787 -22.548 -11.065 1.00 0.00 C ATOM 397 NZ LYS A 28 3.813 -22.827 -10.022 1.00 0.00 N ATOM 0 H LYS A 28 2.074 -16.747 -13.691 1.00 0.00 H new ATOM 0 HA LYS A 28 0.424 -19.207 -13.640 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.917 -19.376 -14.325 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.285 -18.943 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.356 -21.190 -13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.024 -21.494 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.697 -20.608 -11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.994 -20.569 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.809 -22.871 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.009 -23.132 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.878 -23.853 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.736 -22.466 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.542 -22.357 -9.134 1.00 0.00 H new ATOM 411 N PHE A 29 1.423 -17.168 -11.285 1.00 0.00 N ATOM 412 CA PHE A 29 1.186 -16.750 -9.908 1.00 0.00 C ATOM 413 C PHE A 29 -0.063 -15.879 -9.811 1.00 0.00 C ATOM 414 O PHE A 29 -0.646 -15.727 -8.737 1.00 0.00 O ATOM 415 CB PHE A 29 2.397 -15.986 -9.368 1.00 0.00 C ATOM 416 CG PHE A 29 2.289 -14.497 -9.533 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.367 -13.919 -10.790 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.108 -13.676 -8.432 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.269 -12.549 -10.944 1.00 0.00 C ATOM 420 CE2 PHE A 29 2.008 -12.306 -8.580 1.00 0.00 C ATOM 421 CZ PHE A 29 2.088 -11.741 -9.838 1.00 0.00 C ATOM 0 H PHE A 29 2.005 -16.528 -11.826 1.00 0.00 H new ATOM 0 HA PHE A 29 1.031 -17.645 -9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.521 -16.218 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.294 -16.336 -9.878 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.506 -14.546 -11.659 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.044 -14.112 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.334 -12.110 -11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.867 -11.677 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.009 -10.670 -9.957 1.00 0.00 H new ATOM 431 N PHE A 30 -0.468 -15.309 -10.941 1.00 0.00 N ATOM 432 CA PHE A 30 -1.647 -14.451 -10.984 1.00 0.00 C ATOM 433 C PHE A 30 -2.857 -15.159 -10.382 1.00 0.00 C ATOM 434 O PHE A 30 -3.741 -14.520 -9.811 1.00 0.00 O ATOM 435 CB PHE A 30 -1.950 -14.038 -12.426 1.00 0.00 C ATOM 436 CG PHE A 30 -2.711 -15.076 -13.200 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.131 -16.298 -13.502 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.006 -14.830 -13.627 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.828 -17.255 -14.214 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.708 -15.784 -14.339 1.00 0.00 C ATOM 441 CZ PHE A 30 -4.118 -16.998 -14.633 1.00 0.00 C ATOM 0 H PHE A 30 0.002 -15.425 -11.839 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.439 -13.559 -10.393 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.523 -13.111 -12.417 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.012 -13.828 -12.940 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.122 -16.505 -13.177 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.472 -13.882 -13.401 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.364 -18.203 -14.443 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.717 -15.581 -14.665 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.665 -17.745 -15.190 1.00 0.00 H new ATOM 451 N GLN A 31 -2.889 -16.481 -10.514 1.00 0.00 N ATOM 452 CA GLN A 31 -3.990 -17.275 -9.984 1.00 0.00 C ATOM 453 C GLN A 31 -3.753 -17.624 -8.518 1.00 0.00 C ATOM 454 O GLN A 31 -4.699 -17.854 -7.764 1.00 0.00 O ATOM 455 CB GLN A 31 -4.165 -18.555 -10.803 1.00 0.00 C ATOM 456 CG GLN A 31 -3.199 -19.663 -10.415 1.00 0.00 C ATOM 457 CD GLN A 31 -2.960 -20.649 -11.541 1.00 0.00 C ATOM 458 OE1 GLN A 31 -3.902 -21.217 -12.095 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.695 -20.859 -11.886 1.00 0.00 N ATOM 0 H GLN A 31 -2.165 -17.025 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.900 -16.680 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.186 -18.916 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.032 -18.322 -11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.248 -19.222 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.591 -20.195 -9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.945 -20.367 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.473 -21.513 -12.637 1.00 0.00 H new ATOM 468 N ILE A 32 -2.486 -17.663 -8.122 1.00 0.00 N ATOM 469 CA ILE A 32 -2.125 -17.983 -6.746 1.00 0.00 C ATOM 470 C ILE A 32 -2.326 -16.780 -5.831 1.00 0.00 C ATOM 471 O ILE A 32 -2.925 -16.894 -4.761 1.00 0.00 O ATOM 472 CB ILE A 32 -0.663 -18.455 -6.643 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.454 -19.723 -7.472 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.287 -18.699 -5.189 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.955 -19.873 -8.003 1.00 0.00 C ATOM 0 H ILE A 32 -1.692 -17.477 -8.734 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.782 -18.792 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.015 -17.673 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.697 -20.592 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.151 -19.718 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.749 -19.032 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.402 -17.775 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.938 -19.465 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.030 -20.794 -8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.196 -19.023 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.656 -19.910 -7.169 1.00 0.00 H new ATOM 487 N SER A 33 -1.821 -15.627 -6.259 1.00 0.00 N ATOM 488 CA SER A 33 -1.943 -14.403 -5.477 1.00 0.00 C ATOM 489 C SER A 33 -3.352 -13.827 -5.585 1.00 0.00 C ATOM 490 O SER A 33 -4.030 -13.624 -4.579 1.00 0.00 O ATOM 491 CB SER A 33 -0.919 -13.368 -5.948 1.00 0.00 C ATOM 492 OG SER A 33 -1.163 -12.984 -7.290 1.00 0.00 O ATOM 0 H SER A 33 -1.324 -15.515 -7.143 1.00 0.00 H new ATOM 0 HA SER A 33 -1.748 -14.647 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.960 -12.491 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.086 -13.781 -5.861 1.00 0.00 H new ATOM 0 HG SER A 33 -0.310 -12.897 -7.765 1.00 0.00 H new ATOM 498 N GLY A 34 -3.785 -13.565 -6.815 1.00 0.00 N ATOM 499 CA GLY A 34 -5.109 -13.015 -7.033 1.00 0.00 C ATOM 500 C GLY A 34 -5.100 -11.848 -8.001 1.00 0.00 C ATOM 501 O GLY A 34 -5.771 -10.841 -7.776 1.00 0.00 O ATOM 0 H GLY A 34 -3.242 -13.724 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.765 -13.796 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.525 -12.689 -6.080 1.00 0.00 H new ATOM 505 N MET A 35 -4.337 -11.983 -9.080 1.00 0.00 N ATOM 506 CA MET A 35 -4.243 -10.931 -10.086 1.00 0.00 C ATOM 507 C MET A 35 -5.323 -11.098 -11.150 1.00 0.00 C ATOM 508 O MET A 35 -5.796 -10.119 -11.727 1.00 0.00 O ATOM 509 CB MET A 35 -2.860 -10.942 -10.740 1.00 0.00 C ATOM 510 CG MET A 35 -1.844 -10.064 -10.028 1.00 0.00 C ATOM 511 SD MET A 35 -0.637 -9.344 -11.156 1.00 0.00 S ATOM 512 CE MET A 35 -0.186 -10.778 -12.130 1.00 0.00 C ATOM 0 H MET A 35 -3.775 -12.810 -9.281 1.00 0.00 H new ATOM 0 HA MET A 35 -4.393 -9.973 -9.588 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.488 -11.966 -10.766 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.953 -10.610 -11.774 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.366 -9.265 -9.502 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.324 -10.655 -9.274 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.813 -10.638 -12.542 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.197 -11.666 -11.497 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.900 -10.904 -12.944 1.00 0.00 H new ATOM 522 N SER A 36 -5.709 -12.344 -11.405 1.00 0.00 N ATOM 523 CA SER A 36 -6.730 -12.639 -12.403 1.00 0.00 C ATOM 524 C SER A 36 -7.994 -11.825 -12.144 1.00 0.00 C ATOM 525 O SER A 36 -8.696 -11.433 -13.076 1.00 0.00 O ATOM 526 CB SER A 36 -7.062 -14.133 -12.398 1.00 0.00 C ATOM 527 OG SER A 36 -7.547 -14.552 -13.661 1.00 0.00 O ATOM 0 H SER A 36 -5.330 -13.166 -10.934 1.00 0.00 H new ATOM 0 HA SER A 36 -6.336 -12.365 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.172 -14.706 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.809 -14.340 -11.631 1.00 0.00 H new ATOM 0 HG SER A 36 -7.750 -15.510 -13.632 1.00 0.00 H new ATOM 533 N LYS A 37 -8.278 -11.575 -10.871 1.00 0.00 N ATOM 534 CA LYS A 37 -9.456 -10.807 -10.486 1.00 0.00 C ATOM 535 C LYS A 37 -9.406 -9.401 -11.076 1.00 0.00 C ATOM 536 O LYS A 37 -10.437 -8.827 -11.430 1.00 0.00 O ATOM 537 CB LYS A 37 -9.563 -10.727 -8.961 1.00 0.00 C ATOM 538 CG LYS A 37 -9.626 -12.085 -8.285 1.00 0.00 C ATOM 539 CD LYS A 37 -8.860 -12.091 -6.973 1.00 0.00 C ATOM 540 CE LYS A 37 -9.749 -11.690 -5.806 1.00 0.00 C ATOM 541 NZ LYS A 37 -9.290 -12.294 -4.525 1.00 0.00 N ATOM 0 H LYS A 37 -7.708 -11.893 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.335 -11.317 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.706 -10.177 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.454 -10.157 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.666 -12.353 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.215 -12.843 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.450 -13.085 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.015 -11.405 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.758 -10.604 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.774 -12.001 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.922 -11.996 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.306 -13.331 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.321 -11.977 -4.319 1.00 0.00 H new ATOM 555 N LYS A 38 -8.201 -8.851 -11.182 1.00 0.00 N ATOM 556 CA LYS A 38 -8.015 -7.514 -11.732 1.00 0.00 C ATOM 557 C LYS A 38 -8.717 -7.378 -13.079 1.00 0.00 C ATOM 558 O LYS A 38 -9.178 -8.365 -13.653 1.00 0.00 O ATOM 559 CB LYS A 38 -6.524 -7.207 -11.889 1.00 0.00 C ATOM 560 CG LYS A 38 -5.738 -7.332 -10.595 1.00 0.00 C ATOM 561 CD LYS A 38 -6.371 -6.519 -9.478 1.00 0.00 C ATOM 562 CE LYS A 38 -7.159 -7.402 -8.523 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.877 -7.070 -7.099 1.00 0.00 N ATOM 0 H LYS A 38 -7.338 -9.312 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.456 -6.798 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.098 -7.884 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.409 -6.195 -12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.686 -8.380 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.714 -6.995 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.594 -5.989 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.031 -5.764 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.225 -7.287 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.912 -8.447 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.471 -7.659 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.874 -7.253 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.089 -6.066 -6.928 1.00 0.00 H new ATOM 577 N SER A 39 -8.794 -6.149 -13.580 1.00 0.00 N ATOM 578 CA SER A 39 -9.441 -5.883 -14.859 1.00 0.00 C ATOM 579 C SER A 39 -8.729 -4.760 -15.607 1.00 0.00 C ATOM 580 O SER A 39 -9.365 -3.845 -16.128 1.00 0.00 O ATOM 581 CB SER A 39 -10.911 -5.516 -14.644 1.00 0.00 C ATOM 582 OG SER A 39 -11.060 -4.632 -13.546 1.00 0.00 O ATOM 0 H SER A 39 -8.416 -5.321 -13.119 1.00 0.00 H new ATOM 0 HA SER A 39 -9.384 -6.789 -15.462 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.309 -5.051 -15.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.493 -6.421 -14.468 1.00 0.00 H new ATOM 0 HG SER A 39 -12.008 -4.411 -13.430 1.00 0.00 H new ATOM 588 N SER A 40 -7.403 -4.838 -15.654 1.00 0.00 N ATOM 589 CA SER A 40 -6.601 -3.827 -16.333 1.00 0.00 C ATOM 590 C SER A 40 -6.849 -2.445 -15.735 1.00 0.00 C ATOM 591 O SER A 40 -6.579 -1.425 -16.369 1.00 0.00 O ATOM 592 CB SER A 40 -6.923 -3.812 -17.829 1.00 0.00 C ATOM 593 OG SER A 40 -7.945 -2.875 -18.122 1.00 0.00 O ATOM 0 H SER A 40 -6.861 -5.591 -15.230 1.00 0.00 H new ATOM 0 HA SER A 40 -5.550 -4.080 -16.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.025 -3.564 -18.395 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.235 -4.807 -18.147 1.00 0.00 H new ATOM 0 HG SER A 40 -8.767 -3.130 -17.653 1.00 0.00 H new ATOM 599 N SER A 41 -7.363 -2.422 -14.509 1.00 0.00 N ATOM 600 CA SER A 41 -7.650 -1.166 -13.825 1.00 0.00 C ATOM 601 C SER A 41 -6.832 -1.047 -12.543 1.00 0.00 C ATOM 602 O SER A 41 -6.757 0.024 -11.941 1.00 0.00 O ATOM 603 CB SER A 41 -9.143 -1.067 -13.503 1.00 0.00 C ATOM 604 OG SER A 41 -9.564 0.285 -13.452 1.00 0.00 O ATOM 0 H SER A 41 -7.589 -3.258 -13.970 1.00 0.00 H new ATOM 0 HA SER A 41 -7.373 -0.347 -14.489 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.718 -1.602 -14.259 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.345 -1.551 -12.547 1.00 0.00 H new ATOM 0 HG SER A 41 -10.521 0.322 -13.246 1.00 0.00 H new ATOM 610 N GLN A 42 -6.222 -2.154 -12.133 1.00 0.00 N ATOM 611 CA GLN A 42 -5.410 -2.173 -10.922 1.00 0.00 C ATOM 612 C GLN A 42 -4.030 -2.759 -11.201 1.00 0.00 C ATOM 613 O GLN A 42 -3.200 -2.880 -10.299 1.00 0.00 O ATOM 614 CB GLN A 42 -6.108 -2.983 -9.827 1.00 0.00 C ATOM 615 CG GLN A 42 -7.536 -2.537 -9.558 1.00 0.00 C ATOM 616 CD GLN A 42 -8.558 -3.592 -9.934 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.474 -3.888 -9.166 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.406 -4.166 -11.122 1.00 0.00 N ATOM 0 H GLN A 42 -6.274 -3.048 -12.621 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.287 -1.145 -10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.112 -4.035 -10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.532 -2.904 -8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.643 -2.293 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.739 -1.624 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.632 -3.890 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.063 -4.883 -11.430 1.00 0.00 H new ATOM 627 N LEU A 43 -3.789 -3.121 -12.457 1.00 0.00 N ATOM 628 CA LEU A 43 -2.509 -3.694 -12.856 1.00 0.00 C ATOM 629 C LEU A 43 -1.372 -2.703 -12.623 1.00 0.00 C ATOM 630 O LEU A 43 -0.431 -2.984 -11.882 1.00 0.00 O ATOM 631 CB LEU A 43 -2.549 -4.105 -14.329 1.00 0.00 C ATOM 632 CG LEU A 43 -3.144 -5.482 -14.625 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.046 -6.531 -14.711 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.165 -5.861 -13.563 1.00 0.00 C ATOM 0 H LEU A 43 -4.464 -3.028 -13.216 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.327 -4.577 -12.244 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.122 -3.358 -14.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.532 -4.079 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.651 -5.438 -15.589 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.489 -7.504 -14.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.352 -6.267 -15.509 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.509 -6.574 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.578 -6.844 -13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.682 -5.887 -12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.968 -5.124 -13.551 1.00 0.00 H new ATOM 646 N LYS A 44 -1.468 -1.541 -13.261 1.00 0.00 N ATOM 647 CA LYS A 44 -0.451 -0.506 -13.122 1.00 0.00 C ATOM 648 C LYS A 44 -0.644 0.276 -11.826 1.00 0.00 C ATOM 649 O LYS A 44 0.140 1.170 -11.508 1.00 0.00 O ATOM 650 CB LYS A 44 -0.497 0.448 -14.317 1.00 0.00 C ATOM 651 CG LYS A 44 -1.445 1.619 -14.124 1.00 0.00 C ATOM 652 CD LYS A 44 -2.876 1.151 -13.922 1.00 0.00 C ATOM 653 CE LYS A 44 -3.454 0.557 -15.197 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.939 0.458 -15.139 1.00 0.00 N ATOM 0 H LYS A 44 -2.240 -1.293 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 44 0.524 -0.992 -13.091 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.506 0.831 -14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.797 -0.109 -15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.128 2.206 -13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.395 2.275 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.908 0.407 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.492 1.990 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.164 1.173 -16.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.030 -0.434 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.251 -0.388 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.244 0.389 -14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.361 1.304 -15.572 1.00 0.00 H new ATOM 668 N GLU A 45 -1.691 -0.068 -11.083 1.00 0.00 N ATOM 669 CA GLU A 45 -1.985 0.602 -9.822 1.00 0.00 C ATOM 670 C GLU A 45 -0.847 0.408 -8.824 1.00 0.00 C ATOM 671 O GLU A 45 -0.416 1.355 -8.166 1.00 0.00 O ATOM 672 CB GLU A 45 -3.293 0.073 -9.230 1.00 0.00 C ATOM 673 CG GLU A 45 -3.677 0.731 -7.915 1.00 0.00 C ATOM 674 CD GLU A 45 -3.443 2.229 -7.923 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.090 2.928 -8.730 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.612 2.703 -7.120 1.00 0.00 O ATOM 0 H GLU A 45 -2.349 -0.806 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.091 1.668 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.096 0.226 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.203 -1.002 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.728 0.532 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.101 0.281 -7.106 1.00 0.00 H new ATOM 683 N ILE A 46 -0.367 -0.827 -8.717 1.00 0.00 N ATOM 684 CA ILE A 46 0.721 -1.146 -7.800 1.00 0.00 C ATOM 685 C ILE A 46 2.077 -0.851 -8.432 1.00 0.00 C ATOM 686 O ILE A 46 3.067 -0.641 -7.732 1.00 0.00 O ATOM 687 CB ILE A 46 0.678 -2.624 -7.369 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.734 -3.006 -6.921 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.681 -2.879 -6.254 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.577 -3.604 -8.025 1.00 0.00 C ATOM 0 H ILE A 46 -0.714 -1.622 -9.253 1.00 0.00 H new ATOM 0 HA ILE A 46 0.588 -0.516 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 46 0.948 -3.245 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.665 -3.720 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.235 -2.120 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.639 -3.928 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.685 -2.641 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.439 -2.252 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.565 -3.851 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.677 -2.884 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.098 -4.509 -8.399 1.00 0.00 H new ATOM 702 N PHE A 47 2.114 -0.836 -9.760 1.00 0.00 N ATOM 703 CA PHE A 47 3.349 -0.567 -10.488 1.00 0.00 C ATOM 704 C PHE A 47 4.542 -1.215 -9.793 1.00 0.00 C ATOM 705 O PHE A 47 5.618 -0.623 -9.702 1.00 0.00 O ATOM 706 CB PHE A 47 3.573 0.942 -10.612 1.00 0.00 C ATOM 707 CG PHE A 47 3.500 1.668 -9.299 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.290 2.148 -8.825 1.00 0.00 C ATOM 709 CD2 PHE A 47 4.641 1.871 -8.540 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.220 2.818 -7.618 1.00 0.00 C ATOM 711 CE2 PHE A 47 4.578 2.540 -7.332 1.00 0.00 C ATOM 712 CZ PHE A 47 3.365 3.013 -6.870 1.00 0.00 C ATOM 0 H PHE A 47 1.303 -1.007 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 47 3.256 -0.997 -11.485 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.549 1.121 -11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.828 1.358 -11.290 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.391 1.997 -9.405 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.591 1.502 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.271 3.189 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.475 2.693 -6.751 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.312 3.534 -5.926 1.00 0.00 H new ATOM 722 N ARG A 48 4.343 -2.434 -9.302 1.00 0.00 N ATOM 723 CA ARG A 48 5.402 -3.162 -8.613 1.00 0.00 C ATOM 724 C ARG A 48 5.374 -4.642 -8.985 1.00 0.00 C ATOM 725 O ARG A 48 6.039 -5.463 -8.352 1.00 0.00 O ATOM 726 CB ARG A 48 5.257 -3.003 -7.099 1.00 0.00 C ATOM 727 CG ARG A 48 5.946 -1.765 -6.548 1.00 0.00 C ATOM 728 CD ARG A 48 5.862 -1.709 -5.031 1.00 0.00 C ATOM 729 NE ARG A 48 4.713 -0.933 -4.574 1.00 0.00 N ATOM 730 CZ ARG A 48 4.704 0.394 -4.500 1.00 0.00 C ATOM 731 NH1 ARG A 48 5.778 1.087 -4.852 1.00 0.00 N ATOM 732 NH2 ARG A 48 3.620 1.029 -4.074 1.00 0.00 N ATOM 0 H ARG A 48 3.459 -2.938 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 48 6.359 -2.744 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.197 -2.962 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.667 -3.886 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.992 -1.762 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.486 -0.872 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.796 -2.722 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.777 -1.270 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 48 3.871 -1.437 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.613 0.602 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.769 2.105 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.792 0.499 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.615 2.047 -4.018 1.00 0.00 H new ATOM 746 N ILE A 49 4.601 -4.974 -10.013 1.00 0.00 N ATOM 747 CA ILE A 49 4.488 -6.354 -10.468 1.00 0.00 C ATOM 748 C ILE A 49 4.877 -6.482 -11.937 1.00 0.00 C ATOM 749 O ILE A 49 4.945 -7.586 -12.479 1.00 0.00 O ATOM 750 CB ILE A 49 3.058 -6.894 -10.279 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.060 -6.045 -11.070 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.690 -6.915 -8.803 1.00 0.00 C ATOM 753 CD1 ILE A 49 1.571 -4.828 -10.316 1.00 0.00 C ATOM 0 H ILE A 49 4.044 -4.307 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 49 5.174 -6.944 -9.860 1.00 0.00 H new ATOM 0 HB ILE A 49 3.018 -7.915 -10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.527 -5.722 -12.001 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.204 -6.663 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.677 -7.299 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.386 -7.557 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.743 -5.904 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.867 -4.274 -10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.075 -5.144 -9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.418 -4.189 -10.069 1.00 0.00 H new ATOM 765 N LEU A 50 5.133 -5.346 -12.577 1.00 0.00 N ATOM 766 CA LEU A 50 5.519 -5.330 -13.984 1.00 0.00 C ATOM 767 C LEU A 50 6.974 -4.902 -14.145 1.00 0.00 C ATOM 768 O LEU A 50 7.815 -5.683 -14.589 1.00 0.00 O ATOM 769 CB LEU A 50 4.607 -4.388 -14.772 1.00 0.00 C ATOM 770 CG LEU A 50 3.179 -4.239 -14.245 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.516 -3.007 -14.841 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.365 -5.487 -14.553 1.00 0.00 C ATOM 0 H LEU A 50 5.080 -4.424 -12.144 1.00 0.00 H new ATOM 0 HA LEU A 50 5.412 -6.341 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.069 -3.401 -14.794 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.558 -4.740 -15.802 1.00 0.00 H new ATOM 0 HG LEU A 50 3.222 -4.115 -13.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.501 -2.917 -14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.087 -2.119 -14.570 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.484 -3.100 -15.927 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.352 -5.364 -14.171 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.330 -5.642 -15.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.829 -6.351 -14.077 1.00 0.00 H new ATOM 784 N ASP A 51 7.262 -3.658 -13.780 1.00 0.00 N ATOM 785 CA ASP A 51 8.617 -3.126 -13.881 1.00 0.00 C ATOM 786 C ASP A 51 8.847 -2.026 -12.849 1.00 0.00 C ATOM 787 O ASP A 51 7.899 -1.484 -12.284 1.00 0.00 O ATOM 788 CB ASP A 51 8.871 -2.584 -15.288 1.00 0.00 C ATOM 789 CG ASP A 51 7.675 -1.838 -15.846 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.688 -2.501 -16.227 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.726 -0.592 -15.903 1.00 0.00 O ATOM 0 H ASP A 51 6.576 -2.999 -13.412 1.00 0.00 H new ATOM 0 HA ASP A 51 9.316 -3.938 -13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.734 -1.918 -15.267 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.122 -3.411 -15.953 1.00 0.00 H new ATOM 796 N ASN A 52 10.114 -1.704 -12.608 1.00 0.00 N ATOM 797 CA ASN A 52 10.469 -0.669 -11.643 1.00 0.00 C ATOM 798 C ASN A 52 11.151 0.508 -12.334 1.00 0.00 C ATOM 799 O ASN A 52 11.379 1.552 -11.722 1.00 0.00 O ATOM 800 CB ASN A 52 11.387 -1.244 -10.563 1.00 0.00 C ATOM 801 CG ASN A 52 11.453 -0.363 -9.331 1.00 0.00 C ATOM 802 OD1 ASN A 52 12.329 0.493 -9.211 1.00 0.00 O ATOM 803 ND2 ASN A 52 10.522 -0.570 -8.406 1.00 0.00 N ATOM 0 H ASN A 52 10.911 -2.144 -13.067 1.00 0.00 H new ATOM 0 HA ASN A 52 9.551 -0.311 -11.177 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.033 -2.235 -10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.390 -1.369 -10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.515 -0.008 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.814 -1.291 -8.547 1.00 0.00 H new ATOM 810 N ASP A 53 11.474 0.331 -13.610 1.00 0.00 N ATOM 811 CA ASP A 53 12.128 1.379 -14.385 1.00 0.00 C ATOM 812 C ASP A 53 11.131 2.461 -14.788 1.00 0.00 C ATOM 813 O ASP A 53 11.331 3.641 -14.499 1.00 0.00 O ATOM 814 CB ASP A 53 12.786 0.785 -15.632 1.00 0.00 C ATOM 815 CG ASP A 53 14.014 1.563 -16.064 1.00 0.00 C ATOM 816 OD1 ASP A 53 14.661 2.182 -15.194 1.00 0.00 O ATOM 817 OD2 ASP A 53 14.328 1.553 -17.273 1.00 0.00 O ATOM 0 H ASP A 53 11.294 -0.528 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 53 12.896 1.833 -13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.066 -0.250 -15.434 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.064 0.769 -16.448 1.00 0.00 H new ATOM 822 N GLN A 54 10.058 2.051 -15.456 1.00 0.00 N ATOM 823 CA GLN A 54 9.031 2.986 -15.900 1.00 0.00 C ATOM 824 C GLN A 54 9.618 4.032 -16.842 1.00 0.00 C ATOM 825 O GLN A 54 9.044 5.105 -17.029 1.00 0.00 O ATOM 826 CB GLN A 54 8.383 3.672 -14.696 1.00 0.00 C ATOM 827 CG GLN A 54 6.987 3.158 -14.381 1.00 0.00 C ATOM 828 CD GLN A 54 6.994 1.736 -13.858 1.00 0.00 C ATOM 829 OE1 GLN A 54 8.035 1.078 -13.827 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.830 1.252 -13.441 1.00 0.00 N ATOM 0 H GLN A 54 9.877 1.078 -15.702 1.00 0.00 H new ATOM 0 HA GLN A 54 8.271 2.423 -16.441 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.019 3.531 -13.822 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.333 4.745 -14.883 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.522 3.811 -13.642 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.374 3.207 -15.281 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.992 1.832 -13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.774 0.301 -13.077 1.00 0.00 H new ATOM 839 N SER A 55 10.765 3.713 -17.432 1.00 0.00 N ATOM 840 CA SER A 55 11.432 4.627 -18.352 1.00 0.00 C ATOM 841 C SER A 55 10.752 4.615 -19.718 1.00 0.00 C ATOM 842 O SER A 55 10.882 5.559 -20.496 1.00 0.00 O ATOM 843 CB SER A 55 12.907 4.249 -18.500 1.00 0.00 C ATOM 844 OG SER A 55 13.627 4.530 -17.312 1.00 0.00 O ATOM 0 H SER A 55 11.252 2.828 -17.289 1.00 0.00 H new ATOM 0 HA SER A 55 11.362 5.634 -17.940 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.992 3.189 -18.738 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.345 4.799 -19.333 1.00 0.00 H new ATOM 0 HG SER A 55 14.566 4.278 -17.432 1.00 0.00 H new ATOM 850 N GLY A 56 10.027 3.537 -20.001 1.00 0.00 N ATOM 851 CA GLY A 56 9.338 3.421 -21.273 1.00 0.00 C ATOM 852 C GLY A 56 9.127 1.978 -21.688 1.00 0.00 C ATOM 853 O GLY A 56 8.290 1.687 -22.544 1.00 0.00 O ATOM 0 H GLY A 56 9.905 2.743 -19.373 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.372 3.922 -21.207 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.912 3.937 -22.042 1.00 0.00 H new ATOM 857 N PHE A 57 9.888 1.073 -21.083 1.00 0.00 N ATOM 858 CA PHE A 57 9.782 -0.347 -21.397 1.00 0.00 C ATOM 859 C PHE A 57 10.437 -1.195 -20.310 1.00 0.00 C ATOM 860 O PHE A 57 10.816 -0.685 -19.255 1.00 0.00 O ATOM 861 CB PHE A 57 10.433 -0.642 -22.750 1.00 0.00 C ATOM 862 CG PHE A 57 11.935 -0.613 -22.712 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.611 0.554 -22.394 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.670 -1.753 -22.995 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.992 0.584 -22.358 1.00 0.00 C ATOM 866 CE2 PHE A 57 14.051 -1.730 -22.959 1.00 0.00 C ATOM 867 CZ PHE A 57 14.713 -0.560 -22.642 1.00 0.00 C ATOM 0 H PHE A 57 10.585 1.297 -20.373 1.00 0.00 H new ATOM 0 HA PHE A 57 8.724 -0.604 -21.446 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.105 -1.622 -23.096 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.082 0.087 -23.480 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.052 1.451 -22.172 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.158 -2.670 -23.247 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.507 1.500 -22.108 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.612 -2.626 -23.179 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.792 -0.539 -22.616 1.00 0.00 H new ATOM 877 N ILE A 58 10.565 -2.491 -20.575 1.00 0.00 N ATOM 878 CA ILE A 58 11.173 -3.408 -19.620 1.00 0.00 C ATOM 879 C ILE A 58 12.267 -4.242 -20.279 1.00 0.00 C ATOM 880 O ILE A 58 12.284 -4.408 -21.498 1.00 0.00 O ATOM 881 CB ILE A 58 10.126 -4.353 -19.002 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.860 -3.577 -18.635 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.699 -5.051 -17.777 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.748 -4.451 -18.099 1.00 0.00 C ATOM 0 H ILE A 58 10.256 -2.929 -21.443 1.00 0.00 H new ATOM 0 HA ILE A 58 11.610 -2.797 -18.830 1.00 0.00 H new ATOM 0 HB ILE A 58 9.864 -5.112 -19.739 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.110 -2.823 -17.889 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.501 -3.046 -19.517 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.947 -5.715 -17.352 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.575 -5.632 -18.066 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.986 -4.306 -17.035 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.883 -3.833 -17.860 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.470 -5.189 -18.852 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.089 -4.962 -17.198 1.00 0.00 H new ATOM 896 N GLU A 59 13.177 -4.765 -19.463 1.00 0.00 N ATOM 897 CA GLU A 59 14.274 -5.582 -19.968 1.00 0.00 C ATOM 898 C GLU A 59 14.664 -6.655 -18.955 1.00 0.00 C ATOM 899 O GLU A 59 14.257 -6.604 -17.795 1.00 0.00 O ATOM 900 CB GLU A 59 15.486 -4.706 -20.291 1.00 0.00 C ATOM 901 CG GLU A 59 16.452 -5.342 -21.276 1.00 0.00 C ATOM 902 CD GLU A 59 17.417 -4.339 -21.877 1.00 0.00 C ATOM 903 OE1 GLU A 59 17.623 -3.272 -21.261 1.00 0.00 O ATOM 904 OE2 GLU A 59 17.966 -4.619 -22.963 1.00 0.00 O ATOM 0 H GLU A 59 13.176 -4.638 -18.451 1.00 0.00 H new ATOM 0 HA GLU A 59 13.937 -6.073 -20.881 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.139 -3.756 -20.697 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.018 -4.482 -19.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.016 -6.126 -20.771 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.887 -5.821 -22.076 1.00 0.00 H new ATOM 911 N GLU A 60 15.454 -7.626 -19.404 1.00 0.00 N ATOM 912 CA GLU A 60 15.897 -8.711 -18.538 1.00 0.00 C ATOM 913 C GLU A 60 16.667 -8.169 -17.337 1.00 0.00 C ATOM 914 O GLU A 60 16.803 -8.846 -16.317 1.00 0.00 O ATOM 915 CB GLU A 60 16.774 -9.692 -19.319 1.00 0.00 C ATOM 916 CG GLU A 60 15.994 -10.577 -20.277 1.00 0.00 C ATOM 917 CD GLU A 60 16.877 -11.576 -20.998 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.086 -11.300 -21.148 1.00 0.00 O ATOM 919 OE2 GLU A 60 16.360 -12.634 -21.413 1.00 0.00 O ATOM 0 H GLU A 60 15.800 -7.683 -20.362 1.00 0.00 H new ATOM 0 HA GLU A 60 15.013 -9.235 -18.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.520 -9.131 -19.882 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.315 -10.323 -18.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.222 -11.113 -19.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.485 -9.952 -21.011 1.00 0.00 H new ATOM 926 N ASP A 61 17.168 -6.946 -17.466 1.00 0.00 N ATOM 927 CA ASP A 61 17.923 -6.312 -16.392 1.00 0.00 C ATOM 928 C ASP A 61 16.986 -5.706 -15.352 1.00 0.00 C ATOM 929 O ASP A 61 17.431 -5.181 -14.332 1.00 0.00 O ATOM 930 CB ASP A 61 18.845 -5.230 -16.957 1.00 0.00 C ATOM 931 CG ASP A 61 19.766 -4.646 -15.905 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.316 -5.425 -15.098 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.937 -3.409 -15.887 1.00 0.00 O ATOM 0 H ASP A 61 17.065 -6.374 -18.304 1.00 0.00 H new ATOM 0 HA ASP A 61 18.528 -7.078 -15.907 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.443 -5.652 -17.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.241 -4.432 -17.390 1.00 0.00 H new ATOM 938 N GLU A 62 15.686 -5.782 -15.619 1.00 0.00 N ATOM 939 CA GLU A 62 14.686 -5.238 -14.707 1.00 0.00 C ATOM 940 C GLU A 62 13.687 -6.314 -14.291 1.00 0.00 C ATOM 941 O GLU A 62 12.548 -6.014 -13.931 1.00 0.00 O ATOM 942 CB GLU A 62 13.949 -4.068 -15.361 1.00 0.00 C ATOM 943 CG GLU A 62 14.678 -2.741 -15.233 1.00 0.00 C ATOM 944 CD GLU A 62 14.994 -2.386 -13.793 1.00 0.00 C ATOM 945 OE1 GLU A 62 14.044 -2.204 -13.003 1.00 0.00 O ATOM 946 OE2 GLU A 62 16.193 -2.291 -13.455 1.00 0.00 O ATOM 0 H GLU A 62 15.301 -6.215 -16.459 1.00 0.00 H new ATOM 0 HA GLU A 62 15.201 -4.880 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.798 -4.290 -16.418 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.961 -3.975 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.605 -2.783 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.068 -1.952 -15.673 1.00 0.00 H new ATOM 953 N LEU A 63 14.121 -7.568 -14.344 1.00 0.00 N ATOM 954 CA LEU A 63 13.266 -8.691 -13.974 1.00 0.00 C ATOM 955 C LEU A 63 13.740 -9.330 -12.673 1.00 0.00 C ATOM 956 O LEU A 63 12.951 -9.552 -11.754 1.00 0.00 O ATOM 957 CB LEU A 63 13.248 -9.734 -15.092 1.00 0.00 C ATOM 958 CG LEU A 63 12.794 -9.239 -16.466 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.729 -10.392 -17.455 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.444 -8.545 -16.363 1.00 0.00 C ATOM 0 H LEU A 63 15.060 -7.833 -14.640 1.00 0.00 H new ATOM 0 HA LEU A 63 12.255 -8.312 -13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.251 -10.148 -15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.594 -10.551 -14.788 1.00 0.00 H new ATOM 0 HG LEU A 63 13.525 -8.517 -16.830 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.404 -10.020 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.716 -10.845 -17.551 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.020 -11.139 -17.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.136 -8.199 -17.350 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.703 -9.245 -15.977 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.524 -7.693 -15.688 1.00 0.00 H new ATOM 972 N LYS A 64 15.034 -9.624 -12.601 1.00 0.00 N ATOM 973 CA LYS A 64 15.615 -10.235 -11.412 1.00 0.00 C ATOM 974 C LYS A 64 15.393 -9.357 -10.185 1.00 0.00 C ATOM 975 O LYS A 64 14.987 -8.200 -10.303 1.00 0.00 O ATOM 976 CB LYS A 64 17.113 -10.474 -11.617 1.00 0.00 C ATOM 977 CG LYS A 64 17.853 -9.264 -12.161 1.00 0.00 C ATOM 978 CD LYS A 64 19.354 -9.498 -12.196 1.00 0.00 C ATOM 979 CE LYS A 64 20.003 -8.777 -13.368 1.00 0.00 C ATOM 980 NZ LYS A 64 20.072 -9.641 -14.580 1.00 0.00 N ATOM 0 H LYS A 64 15.700 -9.449 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 64 15.119 -11.192 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.559 -10.765 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.249 -11.311 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.495 -9.039 -13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.634 -8.394 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.799 -9.152 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.555 -10.567 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.437 -7.874 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.008 -8.461 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.520 -9.114 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.633 -10.491 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.111 -9.922 -14.862 1.00 0.00 H new ATOM 994 N TYR A 65 15.662 -9.913 -9.009 1.00 0.00 N ATOM 995 CA TYR A 65 15.490 -9.180 -7.760 1.00 0.00 C ATOM 996 C TYR A 65 14.045 -8.716 -7.595 1.00 0.00 C ATOM 997 O TYR A 65 13.775 -7.715 -6.931 1.00 0.00 O ATOM 998 CB TYR A 65 16.432 -7.976 -7.717 1.00 0.00 C ATOM 999 CG TYR A 65 17.892 -8.353 -7.603 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.560 -8.950 -8.665 1.00 0.00 C ATOM 1001 CD2 TYR A 65 18.603 -8.112 -6.434 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.893 -9.297 -8.565 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.937 -8.454 -6.326 1.00 0.00 C ATOM 1004 CZ TYR A 65 20.577 -9.047 -7.394 1.00 0.00 C ATOM 1005 OH TYR A 65 21.906 -9.390 -7.291 1.00 0.00 O ATOM 0 H TYR A 65 16.000 -10.869 -8.894 1.00 0.00 H new ATOM 0 HA TYR A 65 15.733 -9.852 -6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 65 16.289 -7.381 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 65 16.162 -7.344 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 65 18.028 -9.146 -9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 65 18.104 -7.649 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.397 -9.762 -9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 65 20.476 -8.258 -5.411 1.00 0.00 H new ATOM 0 HH TYR A 65 22.239 -9.145 -6.402 1.00 0.00 H new ATOM 1015 N PHE A 66 13.121 -9.452 -8.203 1.00 0.00 N ATOM 1016 CA PHE A 66 11.704 -9.118 -8.125 1.00 0.00 C ATOM 1017 C PHE A 66 11.092 -9.643 -6.830 1.00 0.00 C ATOM 1018 O PHE A 66 10.412 -8.911 -6.110 1.00 0.00 O ATOM 1019 CB PHE A 66 10.955 -9.696 -9.328 1.00 0.00 C ATOM 1020 CG PHE A 66 9.470 -9.478 -9.270 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.921 -8.255 -9.618 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.623 -10.498 -8.866 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.555 -8.052 -9.566 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.256 -10.301 -8.813 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.721 -9.076 -9.162 1.00 0.00 C ATOM 0 H PHE A 66 13.328 -10.284 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 66 11.611 -8.032 -8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.345 -9.244 -10.240 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.155 -10.766 -9.391 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.568 -7.450 -9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.036 -11.457 -8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.140 -7.094 -9.841 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.606 -11.104 -8.499 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.653 -8.920 -9.119 1.00 0.00 H new ATOM 1035 N LEU A 67 11.338 -10.916 -6.540 1.00 0.00 N ATOM 1036 CA LEU A 67 10.811 -11.541 -5.332 1.00 0.00 C ATOM 1037 C LEU A 67 11.226 -10.760 -4.090 1.00 0.00 C ATOM 1038 O LEU A 67 10.574 -10.840 -3.049 1.00 0.00 O ATOM 1039 CB LEU A 67 11.300 -12.987 -5.228 1.00 0.00 C ATOM 1040 CG LEU A 67 11.207 -13.821 -6.506 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.743 -15.224 -6.267 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.770 -13.875 -7.004 1.00 0.00 C ATOM 0 H LEU A 67 11.899 -11.535 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 67 9.723 -11.536 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.340 -12.975 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.726 -13.488 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 67 11.819 -13.346 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.669 -15.803 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.786 -15.167 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.158 -15.709 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.723 -14.473 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.137 -14.326 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.420 -12.865 -7.215 1.00 0.00 H new ATOM 1054 N GLN A 68 12.313 -10.005 -4.208 1.00 0.00 N ATOM 1055 CA GLN A 68 12.814 -9.209 -3.094 1.00 0.00 C ATOM 1056 C GLN A 68 11.762 -8.211 -2.621 1.00 0.00 C ATOM 1057 O GLN A 68 11.855 -7.671 -1.519 1.00 0.00 O ATOM 1058 CB GLN A 68 14.089 -8.468 -3.501 1.00 0.00 C ATOM 1059 CG GLN A 68 15.177 -8.501 -2.440 1.00 0.00 C ATOM 1060 CD GLN A 68 16.572 -8.471 -3.033 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.413 -7.668 -2.629 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.825 -9.349 -3.996 1.00 0.00 N ATOM 0 H GLN A 68 12.863 -9.928 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 68 13.042 -9.886 -2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.476 -8.907 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.841 -7.430 -3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.052 -7.650 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.063 -9.401 -1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.098 -9.996 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.747 -9.376 -4.432 1.00 0.00 H new ATOM 1071 N ARG A 69 10.761 -7.971 -3.462 1.00 0.00 N ATOM 1072 CA ARG A 69 9.692 -7.037 -3.131 1.00 0.00 C ATOM 1073 C ARG A 69 8.618 -7.717 -2.287 1.00 0.00 C ATOM 1074 O ARG A 69 8.254 -7.229 -1.216 1.00 0.00 O ATOM 1075 CB ARG A 69 9.068 -6.469 -4.408 1.00 0.00 C ATOM 1076 CG ARG A 69 9.595 -5.094 -4.783 1.00 0.00 C ATOM 1077 CD ARG A 69 8.972 -4.005 -3.922 1.00 0.00 C ATOM 1078 NE ARG A 69 9.710 -3.803 -2.678 1.00 0.00 N ATOM 1079 CZ ARG A 69 9.215 -3.160 -1.626 1.00 0.00 C ATOM 1080 NH1 ARG A 69 7.987 -2.661 -1.668 1.00 0.00 N ATOM 1081 NH2 ARG A 69 9.948 -3.016 -0.530 1.00 0.00 N ATOM 0 H ARG A 69 10.668 -8.411 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 69 10.123 -6.221 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.256 -7.158 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.987 -6.412 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.679 -5.075 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.382 -4.895 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.944 -3.071 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.940 -4.270 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 69 10.657 -4.176 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.421 -2.771 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.609 -2.168 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.893 -3.399 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.567 -2.522 0.277 1.00 0.00 H new ATOM 1095 N PHE A 70 8.115 -8.845 -2.775 1.00 0.00 N ATOM 1096 CA PHE A 70 7.082 -9.592 -2.067 1.00 0.00 C ATOM 1097 C PHE A 70 7.694 -10.464 -0.974 1.00 0.00 C ATOM 1098 O PHE A 70 7.429 -10.268 0.211 1.00 0.00 O ATOM 1099 CB PHE A 70 6.289 -10.461 -3.045 1.00 0.00 C ATOM 1100 CG PHE A 70 5.384 -9.674 -3.949 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.196 -9.143 -3.471 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.721 -9.464 -5.276 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.362 -8.418 -4.300 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.891 -8.739 -6.110 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.709 -8.217 -5.622 1.00 0.00 C ATOM 0 H PHE A 70 8.406 -9.263 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 70 6.407 -8.875 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.986 -11.037 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.692 -11.177 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.919 -9.298 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.643 -9.872 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.440 -8.009 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.166 -8.581 -7.142 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.057 -7.653 -6.273 1.00 0.00 H new ATOM 1115 N GLU A 71 8.513 -11.428 -1.384 1.00 0.00 N ATOM 1116 CA GLU A 71 9.161 -12.331 -0.441 1.00 0.00 C ATOM 1117 C GLU A 71 9.970 -11.551 0.591 1.00 0.00 C ATOM 1118 O GLU A 71 9.991 -11.899 1.772 1.00 0.00 O ATOM 1119 CB GLU A 71 10.071 -13.312 -1.183 1.00 0.00 C ATOM 1120 CG GLU A 71 10.879 -14.209 -0.260 1.00 0.00 C ATOM 1121 CD GLU A 71 10.013 -15.190 0.506 1.00 0.00 C ATOM 1122 OE1 GLU A 71 8.887 -15.471 0.046 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.462 -15.676 1.565 1.00 0.00 O ATOM 0 H GLU A 71 8.743 -11.603 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 71 8.384 -12.890 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.462 -13.934 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.754 -12.750 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.614 -14.760 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.434 -13.591 0.446 1.00 0.00 H new ATOM 1130 N SER A 72 10.635 -10.493 0.137 1.00 0.00 N ATOM 1131 CA SER A 72 11.449 -9.665 1.019 1.00 0.00 C ATOM 1132 C SER A 72 12.611 -10.468 1.597 1.00 0.00 C ATOM 1133 O SER A 72 13.239 -10.057 2.572 1.00 0.00 O ATOM 1134 CB SER A 72 10.594 -9.096 2.152 1.00 0.00 C ATOM 1135 OG SER A 72 11.266 -8.040 2.817 1.00 0.00 O ATOM 0 H SER A 72 10.626 -10.189 -0.837 1.00 0.00 H new ATOM 0 HA SER A 72 11.855 -8.841 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.648 -8.733 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.356 -9.886 2.865 1.00 0.00 H new ATOM 0 HG SER A 72 12.188 -8.310 3.011 1.00 0.00 H new ATOM 1141 N GLY A 73 12.891 -11.616 0.987 1.00 0.00 N ATOM 1142 CA GLY A 73 13.976 -12.458 1.454 1.00 0.00 C ATOM 1143 C GLY A 73 14.874 -12.926 0.326 1.00 0.00 C ATOM 1144 O GLY A 73 16.078 -13.098 0.513 1.00 0.00 O ATOM 0 H GLY A 73 12.386 -11.977 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.571 -11.908 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.563 -13.325 1.969 1.00 0.00 H new ATOM 1148 N ALA A 74 14.288 -13.133 -0.848 1.00 0.00 N ATOM 1149 CA ALA A 74 15.043 -13.583 -2.011 1.00 0.00 C ATOM 1150 C ALA A 74 16.227 -12.662 -2.286 1.00 0.00 C ATOM 1151 O ALA A 74 16.406 -11.647 -1.612 1.00 0.00 O ATOM 1152 CB ALA A 74 14.137 -13.660 -3.231 1.00 0.00 C ATOM 0 H ALA A 74 13.292 -12.996 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 74 15.432 -14.579 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.714 -13.997 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.327 -14.364 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.720 -12.674 -3.437 1.00 0.00 H new ATOM 1158 N ARG A 75 17.033 -13.024 -3.279 1.00 0.00 N ATOM 1159 CA ARG A 75 18.202 -12.230 -3.641 1.00 0.00 C ATOM 1160 C ARG A 75 18.279 -12.037 -5.153 1.00 0.00 C ATOM 1161 O ARG A 75 18.313 -10.908 -5.644 1.00 0.00 O ATOM 1162 CB ARG A 75 19.479 -12.905 -3.137 1.00 0.00 C ATOM 1163 CG ARG A 75 19.349 -14.410 -2.975 1.00 0.00 C ATOM 1164 CD ARG A 75 20.688 -15.107 -3.159 1.00 0.00 C ATOM 1165 NE ARG A 75 20.876 -16.194 -2.203 1.00 0.00 N ATOM 1166 CZ ARG A 75 20.279 -17.377 -2.307 1.00 0.00 C ATOM 1167 NH1 ARG A 75 19.462 -17.623 -3.321 1.00 0.00 N ATOM 1168 NH2 ARG A 75 20.501 -18.316 -1.396 1.00 0.00 N ATOM 0 H ARG A 75 16.899 -13.861 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 75 18.107 -11.251 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.291 -12.692 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.757 -12.468 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.952 -14.638 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.634 -14.795 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.755 -15.501 -4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.493 -14.381 -3.045 1.00 0.00 H new ATOM 0 HE ARG A 75 21.500 -16.037 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.290 -16.904 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.005 -18.532 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.130 -18.130 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.042 -19.223 -1.477 1.00 0.00 H new ATOM 1182 N VAL A 76 18.308 -13.145 -5.886 1.00 0.00 N ATOM 1183 CA VAL A 76 18.381 -13.098 -7.341 1.00 0.00 C ATOM 1184 C VAL A 76 17.547 -14.208 -7.970 1.00 0.00 C ATOM 1185 O VAL A 76 17.257 -15.221 -7.330 1.00 0.00 O ATOM 1186 CB VAL A 76 19.835 -13.221 -7.834 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.945 -12.784 -9.287 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.768 -12.406 -6.951 1.00 0.00 C ATOM 0 H VAL A 76 18.282 -14.087 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 76 17.982 -12.131 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 76 20.134 -14.267 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.979 -12.878 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.307 -13.415 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.627 -11.745 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.791 -12.505 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.472 -11.357 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.710 -12.771 -5.926 1.00 0.00 H new ATOM 1198 N LEU A 77 17.163 -14.013 -9.227 1.00 0.00 N ATOM 1199 CA LEU A 77 16.362 -14.999 -9.944 1.00 0.00 C ATOM 1200 C LEU A 77 17.215 -15.767 -10.949 1.00 0.00 C ATOM 1201 O LEU A 77 18.427 -15.568 -11.031 1.00 0.00 O ATOM 1202 CB LEU A 77 15.199 -14.314 -10.664 1.00 0.00 C ATOM 1203 CG LEU A 77 13.943 -14.068 -9.827 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.380 -12.683 -10.102 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.897 -15.137 -10.109 1.00 0.00 C ATOM 0 H LEU A 77 17.393 -13.181 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 77 15.965 -15.707 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.549 -13.356 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.924 -14.921 -11.526 1.00 0.00 H new ATOM 0 HG LEU A 77 14.216 -14.123 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.487 -12.527 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.126 -11.930 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.123 -12.598 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.010 -14.946 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.629 -15.114 -11.165 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.302 -16.118 -9.859 1.00 0.00 H new ATOM 1217 N THR A 78 16.573 -16.645 -11.713 1.00 0.00 N ATOM 1218 CA THR A 78 17.271 -17.442 -12.713 1.00 0.00 C ATOM 1219 C THR A 78 16.943 -16.966 -14.124 1.00 0.00 C ATOM 1220 O THR A 78 16.047 -16.146 -14.319 1.00 0.00 O ATOM 1221 CB THR A 78 16.913 -18.935 -12.592 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.588 -19.163 -13.086 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.007 -19.398 -11.146 1.00 0.00 C ATOM 0 H THR A 78 15.570 -16.822 -11.658 1.00 0.00 H new ATOM 0 HA THR A 78 18.338 -17.315 -12.528 1.00 0.00 H new ATOM 0 HB THR A 78 17.625 -19.506 -13.187 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.369 -20.115 -13.007 1.00 0.00 H new ATOM 0 HG21 THR A 78 16.750 -20.455 -11.085 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.024 -19.250 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.315 -18.820 -10.533 1.00 0.00 H new ATOM 1231 N ALA A 79 17.674 -17.486 -15.104 1.00 0.00 N ATOM 1232 CA ALA A 79 17.458 -17.115 -16.497 1.00 0.00 C ATOM 1233 C ALA A 79 16.149 -17.694 -17.023 1.00 0.00 C ATOM 1234 O ALA A 79 15.667 -17.300 -18.085 1.00 0.00 O ATOM 1235 CB ALA A 79 18.625 -17.582 -17.354 1.00 0.00 C ATOM 0 H ALA A 79 18.421 -18.165 -14.959 1.00 0.00 H new ATOM 0 HA ALA A 79 17.392 -16.028 -16.552 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.451 -17.298 -18.392 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.545 -17.117 -17.000 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.717 -18.666 -17.285 1.00 0.00 H new ATOM 1241 N SER A 80 15.578 -18.631 -16.273 1.00 0.00 N ATOM 1242 CA SER A 80 14.326 -19.267 -16.666 1.00 0.00 C ATOM 1243 C SER A 80 13.130 -18.418 -16.246 1.00 0.00 C ATOM 1244 O SER A 80 12.291 -18.059 -17.071 1.00 0.00 O ATOM 1245 CB SER A 80 14.221 -20.661 -16.043 1.00 0.00 C ATOM 1246 OG SER A 80 14.606 -21.663 -16.968 1.00 0.00 O ATOM 0 H SER A 80 15.962 -18.967 -15.390 1.00 0.00 H new ATOM 0 HA SER A 80 14.319 -19.360 -17.752 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.855 -20.716 -15.158 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.197 -20.840 -15.714 1.00 0.00 H new ATOM 0 HG SER A 80 14.991 -22.424 -16.485 1.00 0.00 H new ATOM 1252 N GLU A 81 13.060 -18.102 -14.956 1.00 0.00 N ATOM 1253 CA GLU A 81 11.967 -17.296 -14.426 1.00 0.00 C ATOM 1254 C GLU A 81 11.904 -15.940 -15.122 1.00 0.00 C ATOM 1255 O GLU A 81 10.893 -15.587 -15.732 1.00 0.00 O ATOM 1256 CB GLU A 81 12.132 -17.101 -12.918 1.00 0.00 C ATOM 1257 CG GLU A 81 11.923 -18.372 -12.113 1.00 0.00 C ATOM 1258 CD GLU A 81 12.357 -18.225 -10.667 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.550 -17.945 -10.431 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.502 -18.390 -9.772 1.00 0.00 O ATOM 0 H GLU A 81 13.747 -18.392 -14.260 1.00 0.00 H new ATOM 0 HA GLU A 81 11.034 -17.826 -14.616 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.131 -16.714 -12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.424 -16.345 -12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.869 -18.649 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.481 -19.186 -12.575 1.00 0.00 H new ATOM 1267 N THR A 82 12.991 -15.181 -15.027 1.00 0.00 N ATOM 1268 CA THR A 82 13.060 -13.863 -15.645 1.00 0.00 C ATOM 1269 C THR A 82 12.652 -13.922 -17.113 1.00 0.00 C ATOM 1270 O THR A 82 11.855 -13.107 -17.579 1.00 0.00 O ATOM 1271 CB THR A 82 14.477 -13.268 -15.542 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.436 -14.190 -16.073 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.824 -12.944 -14.097 1.00 0.00 C ATOM 0 H THR A 82 13.836 -15.457 -14.527 1.00 0.00 H new ATOM 0 HA THR A 82 12.364 -13.223 -15.102 1.00 0.00 H new ATOM 0 HB THR A 82 14.502 -12.345 -16.121 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.523 -14.956 -15.468 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.829 -12.525 -14.049 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.110 -12.220 -13.705 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.782 -13.855 -13.500 1.00 0.00 H new ATOM 1281 N LYS A 83 13.201 -14.891 -17.837 1.00 0.00 N ATOM 1282 CA LYS A 83 12.892 -15.058 -19.252 1.00 0.00 C ATOM 1283 C LYS A 83 11.384 -15.079 -19.481 1.00 0.00 C ATOM 1284 O LYS A 83 10.876 -14.435 -20.399 1.00 0.00 O ATOM 1285 CB LYS A 83 13.518 -16.350 -19.782 1.00 0.00 C ATOM 1286 CG LYS A 83 13.049 -16.725 -21.178 1.00 0.00 C ATOM 1287 CD LYS A 83 14.037 -17.651 -21.868 1.00 0.00 C ATOM 1288 CE LYS A 83 13.401 -18.360 -23.053 1.00 0.00 C ATOM 1289 NZ LYS A 83 14.357 -19.283 -23.726 1.00 0.00 N ATOM 0 H LYS A 83 13.863 -15.573 -17.467 1.00 0.00 H new ATOM 0 HA LYS A 83 13.311 -14.210 -19.793 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.603 -16.242 -19.789 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.283 -17.165 -19.098 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.075 -17.211 -21.117 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.918 -15.822 -21.774 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.900 -17.077 -22.206 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.404 -18.389 -21.155 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.530 -18.922 -22.715 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.044 -17.620 -23.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.885 -19.747 -24.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.176 -18.743 -24.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.678 -20.004 -23.049 1.00 0.00 H new ATOM 1303 N THR A 84 10.673 -15.824 -18.641 1.00 0.00 N ATOM 1304 CA THR A 84 9.224 -15.929 -18.752 1.00 0.00 C ATOM 1305 C THR A 84 8.530 -14.825 -17.962 1.00 0.00 C ATOM 1306 O THR A 84 7.526 -15.064 -17.292 1.00 0.00 O ATOM 1307 CB THR A 84 8.719 -17.296 -18.252 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.302 -17.392 -18.435 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.060 -17.494 -16.783 1.00 0.00 C ATOM 0 H THR A 84 11.078 -16.364 -17.876 1.00 0.00 H new ATOM 0 HA THR A 84 8.981 -15.824 -19.809 1.00 0.00 H new ATOM 0 HB THR A 84 9.213 -18.075 -18.832 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.865 -16.622 -18.015 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.694 -18.466 -16.452 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.141 -17.450 -16.651 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.590 -16.708 -16.191 1.00 0.00 H new ATOM 1317 N PHE A 85 9.073 -13.614 -18.045 1.00 0.00 N ATOM 1318 CA PHE A 85 8.506 -12.472 -17.338 1.00 0.00 C ATOM 1319 C PHE A 85 8.101 -11.373 -18.315 1.00 0.00 C ATOM 1320 O PHE A 85 6.998 -10.830 -18.235 1.00 0.00 O ATOM 1321 CB PHE A 85 9.512 -11.923 -16.323 1.00 0.00 C ATOM 1322 CG PHE A 85 8.876 -11.433 -15.054 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.485 -12.327 -14.070 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.670 -10.079 -14.844 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.899 -11.879 -12.901 1.00 0.00 C ATOM 1326 CE2 PHE A 85 8.085 -9.625 -13.677 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.700 -10.526 -12.704 1.00 0.00 C ATOM 0 H PHE A 85 9.905 -13.399 -18.595 1.00 0.00 H new ATOM 0 HA PHE A 85 7.614 -12.810 -16.810 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.234 -12.703 -16.081 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.068 -11.105 -16.781 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.640 -13.386 -14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.970 -9.370 -15.601 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.597 -12.586 -12.142 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.929 -8.567 -13.526 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.244 -10.174 -11.791 1.00 0.00 H new ATOM 1337 N LEU A 86 9.000 -11.049 -19.238 1.00 0.00 N ATOM 1338 CA LEU A 86 8.739 -10.014 -20.232 1.00 0.00 C ATOM 1339 C LEU A 86 8.739 -10.599 -21.640 1.00 0.00 C ATOM 1340 O LEU A 86 8.147 -10.034 -22.559 1.00 0.00 O ATOM 1341 CB LEU A 86 9.785 -8.903 -20.128 1.00 0.00 C ATOM 1342 CG LEU A 86 11.235 -9.322 -20.377 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.484 -9.527 -21.863 1.00 0.00 C ATOM 1344 CD2 LEU A 86 12.194 -8.284 -19.812 1.00 0.00 C ATOM 0 H LEU A 86 9.917 -11.489 -19.319 1.00 0.00 H new ATOM 0 HA LEU A 86 7.753 -9.595 -20.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.526 -8.120 -20.841 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.721 -8.462 -19.133 1.00 0.00 H new ATOM 0 HG LEU A 86 11.413 -10.268 -19.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.521 -9.825 -22.021 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.821 -10.307 -22.239 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.289 -8.597 -22.396 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.221 -8.598 -19.998 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.015 -7.323 -20.294 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.033 -8.186 -18.738 1.00 0.00 H new ATOM 1356 N ALA A 87 9.407 -11.737 -21.802 1.00 0.00 N ATOM 1357 CA ALA A 87 9.481 -12.402 -23.098 1.00 0.00 C ATOM 1358 C ALA A 87 8.259 -13.283 -23.333 1.00 0.00 C ATOM 1359 O ALA A 87 8.156 -13.957 -24.358 1.00 0.00 O ATOM 1360 CB ALA A 87 10.756 -13.226 -23.196 1.00 0.00 C ATOM 0 H ALA A 87 9.904 -12.218 -21.052 1.00 0.00 H new ATOM 0 HA ALA A 87 9.497 -11.635 -23.872 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.798 -13.717 -24.168 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.621 -12.573 -23.081 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.764 -13.980 -22.409 1.00 0.00 H new ATOM 1366 N ALA A 88 7.336 -13.275 -22.377 1.00 0.00 N ATOM 1367 CA ALA A 88 6.120 -14.073 -22.482 1.00 0.00 C ATOM 1368 C ALA A 88 5.001 -13.283 -23.151 1.00 0.00 C ATOM 1369 O ALA A 88 4.215 -13.833 -23.922 1.00 0.00 O ATOM 1370 CB ALA A 88 5.682 -14.550 -21.105 1.00 0.00 C ATOM 0 H ALA A 88 7.407 -12.725 -21.521 1.00 0.00 H new ATOM 0 HA ALA A 88 6.337 -14.942 -23.104 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.773 -15.144 -21.198 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.470 -15.159 -20.663 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.488 -13.688 -20.466 1.00 0.00 H new ATOM 1376 N ALA A 89 4.933 -11.990 -22.851 1.00 0.00 N ATOM 1377 CA ALA A 89 3.910 -11.125 -23.424 1.00 0.00 C ATOM 1378 C ALA A 89 4.458 -10.341 -24.612 1.00 0.00 C ATOM 1379 O ALA A 89 3.703 -9.707 -25.351 1.00 0.00 O ATOM 1380 CB ALA A 89 3.369 -10.175 -22.367 1.00 0.00 C ATOM 0 H ALA A 89 5.575 -11.519 -22.214 1.00 0.00 H new ATOM 0 HA ALA A 89 3.095 -11.755 -23.781 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.606 -9.535 -22.809 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.932 -10.750 -21.551 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.181 -9.558 -21.982 1.00 0.00 H new ATOM 1386 N ASP A 90 5.773 -10.387 -24.790 1.00 0.00 N ATOM 1387 CA ASP A 90 6.422 -9.681 -25.889 1.00 0.00 C ATOM 1388 C ASP A 90 5.896 -10.170 -27.235 1.00 0.00 C ATOM 1389 O ASP A 90 4.935 -10.939 -27.296 1.00 0.00 O ATOM 1390 CB ASP A 90 7.938 -9.871 -25.821 1.00 0.00 C ATOM 1391 CG ASP A 90 8.358 -11.295 -26.127 1.00 0.00 C ATOM 1392 OD1 ASP A 90 7.482 -12.184 -26.128 1.00 0.00 O ATOM 1393 OD2 ASP A 90 9.563 -11.520 -26.366 1.00 0.00 O ATOM 0 H ASP A 90 6.411 -10.906 -24.187 1.00 0.00 H new ATOM 0 HA ASP A 90 6.192 -8.620 -25.793 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.418 -9.194 -26.528 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.291 -9.597 -24.827 1.00 0.00 H new ATOM 1398 N HIS A 91 6.530 -9.719 -28.312 1.00 0.00 N ATOM 1399 CA HIS A 91 6.126 -10.110 -29.658 1.00 0.00 C ATOM 1400 C HIS A 91 4.701 -9.650 -29.952 1.00 0.00 C ATOM 1401 O HIS A 91 4.052 -10.157 -30.867 1.00 0.00 O ATOM 1402 CB HIS A 91 6.229 -11.627 -29.823 1.00 0.00 C ATOM 1403 CG HIS A 91 7.570 -12.180 -29.452 1.00 0.00 C ATOM 1404 ND1 HIS A 91 8.745 -11.476 -29.611 1.00 0.00 N ATOM 1405 CD2 HIS A 91 7.919 -13.377 -28.924 1.00 0.00 C ATOM 1406 CE1 HIS A 91 9.759 -12.216 -29.199 1.00 0.00 C ATOM 1407 NE2 HIS A 91 9.284 -13.374 -28.777 1.00 0.00 N ATOM 0 H HIS A 91 7.326 -9.082 -28.279 1.00 0.00 H new ATOM 0 HA HIS A 91 6.798 -9.628 -30.368 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.466 -12.104 -29.208 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.012 -11.887 -30.859 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.249 -14.184 -28.667 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.799 -11.924 -29.206 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.841 -14.142 -28.402 1.00 0.00 H new ATOM 1415 N ASP A 92 4.222 -8.688 -29.171 1.00 0.00 N ATOM 1416 CA ASP A 92 2.875 -8.159 -29.348 1.00 0.00 C ATOM 1417 C ASP A 92 2.911 -6.658 -29.615 1.00 0.00 C ATOM 1418 O ASP A 92 1.872 -6.025 -29.801 1.00 0.00 O ATOM 1419 CB ASP A 92 2.023 -8.450 -28.111 1.00 0.00 C ATOM 1420 CG ASP A 92 0.579 -8.749 -28.459 1.00 0.00 C ATOM 1421 OD1 ASP A 92 -0.219 -7.794 -28.554 1.00 0.00 O ATOM 1422 OD2 ASP A 92 0.246 -9.940 -28.637 1.00 0.00 O ATOM 0 H ASP A 92 4.747 -8.259 -28.409 1.00 0.00 H new ATOM 0 HA ASP A 92 2.428 -8.652 -30.211 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.447 -9.298 -27.573 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.061 -7.594 -27.438 1.00 0.00 H new ATOM 1427 N GLY A 93 4.115 -6.094 -29.632 1.00 0.00 N ATOM 1428 CA GLY A 93 4.264 -4.671 -29.876 1.00 0.00 C ATOM 1429 C GLY A 93 5.461 -4.355 -30.751 1.00 0.00 C ATOM 1430 O GLY A 93 5.349 -4.316 -31.976 1.00 0.00 O ATOM 0 H GLY A 93 4.990 -6.597 -29.481 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.360 -4.290 -30.351 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.367 -4.151 -28.924 1.00 0.00 H new ATOM 1434 N ASP A 94 6.608 -4.127 -30.121 1.00 0.00 N ATOM 1435 CA ASP A 94 7.831 -3.811 -30.850 1.00 0.00 C ATOM 1436 C ASP A 94 8.999 -4.650 -30.340 1.00 0.00 C ATOM 1437 O ASP A 94 10.161 -4.298 -30.537 1.00 0.00 O ATOM 1438 CB ASP A 94 8.159 -2.324 -30.718 1.00 0.00 C ATOM 1439 CG ASP A 94 9.217 -1.874 -31.707 1.00 0.00 C ATOM 1440 OD1 ASP A 94 9.293 -2.465 -32.804 1.00 0.00 O ATOM 1441 OD2 ASP A 94 9.968 -0.931 -31.384 1.00 0.00 O ATOM 0 H ASP A 94 6.717 -4.155 -29.107 1.00 0.00 H new ATOM 0 HA ASP A 94 7.669 -4.047 -31.902 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.251 -1.740 -30.870 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.503 -2.119 -29.704 1.00 0.00 H new ATOM 1446 N GLY A 95 8.680 -5.762 -29.683 1.00 0.00 N ATOM 1447 CA GLY A 95 9.714 -6.632 -29.155 1.00 0.00 C ATOM 1448 C GLY A 95 10.098 -6.279 -27.732 1.00 0.00 C ATOM 1449 O GLY A 95 11.148 -6.694 -27.242 1.00 0.00 O ATOM 0 H GLY A 95 7.725 -6.075 -29.508 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.368 -7.665 -29.189 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.596 -6.571 -29.792 1.00 0.00 H new ATOM 1453 N LYS A 96 9.246 -5.508 -27.065 1.00 0.00 N ATOM 1454 CA LYS A 96 9.500 -5.097 -25.689 1.00 0.00 C ATOM 1455 C LYS A 96 8.211 -4.651 -25.007 1.00 0.00 C ATOM 1456 O LYS A 96 7.332 -4.067 -25.642 1.00 0.00 O ATOM 1457 CB LYS A 96 10.526 -3.963 -25.655 1.00 0.00 C ATOM 1458 CG LYS A 96 10.090 -2.724 -26.418 1.00 0.00 C ATOM 1459 CD LYS A 96 10.732 -2.661 -27.794 1.00 0.00 C ATOM 1460 CE LYS A 96 12.233 -2.432 -27.698 1.00 0.00 C ATOM 1461 NZ LYS A 96 12.582 -0.989 -27.816 1.00 0.00 N ATOM 0 H LYS A 96 8.372 -5.155 -27.456 1.00 0.00 H new ATOM 0 HA LYS A 96 9.898 -5.955 -25.148 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.720 -3.691 -24.617 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.467 -4.323 -26.071 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.005 -2.723 -26.521 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.357 -1.833 -25.850 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.538 -3.590 -28.330 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.276 -1.858 -28.373 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.599 -2.818 -26.747 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.737 -2.993 -28.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.613 -0.874 -27.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.255 -0.627 -28.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.122 -0.457 -27.050 1.00 0.00 H new ATOM 1475 N ILE A 97 8.105 -4.928 -23.712 1.00 0.00 N ATOM 1476 CA ILE A 97 6.924 -4.552 -22.945 1.00 0.00 C ATOM 1477 C ILE A 97 6.927 -3.061 -22.625 1.00 0.00 C ATOM 1478 O ILE A 97 7.977 -2.419 -22.623 1.00 0.00 O ATOM 1479 CB ILE A 97 6.830 -5.348 -21.629 1.00 0.00 C ATOM 1480 CG1 ILE A 97 7.214 -6.810 -21.864 1.00 0.00 C ATOM 1481 CG2 ILE A 97 5.427 -5.249 -21.049 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.390 -7.487 -22.937 1.00 0.00 C ATOM 0 H ILE A 97 8.823 -5.411 -23.172 1.00 0.00 H new ATOM 0 HA ILE A 97 6.058 -4.786 -23.565 1.00 0.00 H new ATOM 0 HB ILE A 97 7.529 -4.919 -20.911 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.267 -6.861 -22.140 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.103 -7.361 -20.930 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.377 -5.816 -20.120 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.189 -4.204 -20.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.709 -5.655 -21.762 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.717 -8.521 -23.049 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.338 -7.468 -22.654 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.520 -6.960 -23.882 1.00 0.00 H new ATOM 1494 N GLY A 98 5.745 -2.517 -22.353 1.00 0.00 N ATOM 1495 CA GLY A 98 5.635 -1.106 -22.033 1.00 0.00 C ATOM 1496 C GLY A 98 4.267 -0.739 -21.491 1.00 0.00 C ATOM 1497 O GLY A 98 3.502 -0.031 -22.145 1.00 0.00 O ATOM 0 H GLY A 98 4.862 -3.028 -22.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.396 -0.843 -21.298 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.838 -0.517 -22.927 1.00 0.00 H new ATOM 1501 N ALA A 99 3.958 -1.224 -20.293 1.00 0.00 N ATOM 1502 CA ALA A 99 2.673 -0.944 -19.664 1.00 0.00 C ATOM 1503 C ALA A 99 1.520 -1.217 -20.623 1.00 0.00 C ATOM 1504 O ALA A 99 0.626 -0.387 -20.785 1.00 0.00 O ATOM 1505 CB ALA A 99 2.628 0.497 -19.178 1.00 0.00 C ATOM 0 H ALA A 99 4.580 -1.813 -19.739 1.00 0.00 H new ATOM 0 HA ALA A 99 2.563 -1.609 -18.808 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.663 0.693 -18.710 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.424 0.661 -18.451 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.765 1.171 -20.024 1.00 0.00 H new ATOM 1511 N GLU A 100 1.549 -2.385 -21.258 1.00 0.00 N ATOM 1512 CA GLU A 100 0.505 -2.766 -22.203 1.00 0.00 C ATOM 1513 C GLU A 100 0.477 -4.278 -22.402 1.00 0.00 C ATOM 1514 O GLU A 100 -0.586 -4.898 -22.375 1.00 0.00 O ATOM 1515 CB GLU A 100 0.724 -2.068 -23.547 1.00 0.00 C ATOM 1516 CG GLU A 100 2.106 -2.299 -24.135 1.00 0.00 C ATOM 1517 CD GLU A 100 2.411 -1.367 -25.292 1.00 0.00 C ATOM 1518 OE1 GLU A 100 2.362 -0.136 -25.090 1.00 0.00 O ATOM 1519 OE2 GLU A 100 2.698 -1.869 -26.398 1.00 0.00 O ATOM 0 H GLU A 100 2.283 -3.083 -21.135 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.454 -2.453 -21.791 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.026 -2.419 -24.256 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.567 -0.997 -23.420 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.856 -2.162 -23.356 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.184 -3.332 -24.475 1.00 0.00 H new ATOM 1526 N GLU A 101 1.653 -4.865 -22.601 1.00 0.00 N ATOM 1527 CA GLU A 101 1.762 -6.305 -22.806 1.00 0.00 C ATOM 1528 C GLU A 101 1.579 -7.057 -21.491 1.00 0.00 C ATOM 1529 O GLU A 101 0.845 -8.043 -21.424 1.00 0.00 O ATOM 1530 CB GLU A 101 3.120 -6.653 -23.421 1.00 0.00 C ATOM 1531 CG GLU A 101 3.518 -5.744 -24.571 1.00 0.00 C ATOM 1532 CD GLU A 101 4.462 -6.418 -25.548 1.00 0.00 C ATOM 1533 OE1 GLU A 101 4.006 -7.310 -26.294 1.00 0.00 O ATOM 1534 OE2 GLU A 101 5.656 -6.054 -25.566 1.00 0.00 O ATOM 0 H GLU A 101 2.543 -4.367 -22.625 1.00 0.00 H new ATOM 0 HA GLU A 101 0.971 -6.610 -23.492 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.885 -6.600 -22.646 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.096 -7.684 -23.775 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.622 -5.422 -25.101 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.993 -4.847 -24.173 1.00 0.00 H new ATOM 1541 N PHE A 102 2.252 -6.584 -20.447 1.00 0.00 N ATOM 1542 CA PHE A 102 2.166 -7.212 -19.134 1.00 0.00 C ATOM 1543 C PHE A 102 0.720 -7.263 -18.650 1.00 0.00 C ATOM 1544 O PHE A 102 0.362 -8.097 -17.818 1.00 0.00 O ATOM 1545 CB PHE A 102 3.027 -6.452 -18.124 1.00 0.00 C ATOM 1546 CG PHE A 102 3.767 -7.348 -17.172 1.00 0.00 C ATOM 1547 CD1 PHE A 102 3.078 -8.111 -16.242 1.00 0.00 C ATOM 1548 CD2 PHE A 102 5.149 -7.428 -17.207 1.00 0.00 C ATOM 1549 CE1 PHE A 102 3.756 -8.935 -15.364 1.00 0.00 C ATOM 1550 CE2 PHE A 102 5.833 -8.251 -16.332 1.00 0.00 C ATOM 1551 CZ PHE A 102 5.135 -9.007 -15.410 1.00 0.00 C ATOM 0 H PHE A 102 2.863 -5.768 -20.485 1.00 0.00 H new ATOM 0 HA PHE A 102 2.538 -8.233 -19.222 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.746 -5.835 -18.663 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.391 -5.775 -17.553 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.000 -8.061 -16.203 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.699 -6.840 -17.927 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.208 -9.522 -14.642 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.911 -8.303 -16.369 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.666 -9.653 -14.727 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.106 -6.365 -19.176 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.513 -6.306 -18.797 1.00 0.00 C ATOM 1563 C GLN A 103 -2.300 -7.440 -19.446 1.00 0.00 C ATOM 1564 O GLN A 103 -3.043 -8.155 -18.775 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.115 -4.958 -19.196 1.00 0.00 C ATOM 1566 CG GLN A 103 -1.757 -3.826 -18.245 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.587 -2.998 -18.739 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.748 -1.834 -19.109 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.599 -3.594 -18.746 1.00 0.00 N ATOM 0 H GLN A 103 0.174 -5.668 -19.866 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.576 -6.418 -17.715 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.775 -4.700 -20.199 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.200 -5.053 -19.242 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.625 -3.180 -18.112 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.516 -4.241 -17.266 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.686 -4.560 -18.431 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.423 -3.086 -19.067 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.131 -7.597 -20.755 1.00 0.00 N ATOM 1579 CA GLU A 104 -2.827 -8.643 -21.495 1.00 0.00 C ATOM 1580 C GLU A 104 -2.319 -10.024 -21.091 1.00 0.00 C ATOM 1581 O GLU A 104 -3.029 -11.021 -21.222 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.646 -8.441 -23.001 1.00 0.00 C ATOM 1583 CG GLU A 104 -1.192 -8.426 -23.442 1.00 0.00 C ATOM 1584 CD GLU A 104 -1.041 -8.394 -24.951 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -1.461 -7.392 -25.567 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -0.503 -9.369 -25.514 1.00 0.00 O ATOM 0 H GLU A 104 -1.518 -7.013 -21.325 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.888 -8.579 -21.253 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.170 -9.236 -23.531 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.115 -7.501 -23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.695 -7.557 -23.012 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.688 -9.309 -23.049 1.00 0.00 H new ATOM 1593 N MET A 105 -1.085 -10.074 -20.600 1.00 0.00 N ATOM 1594 CA MET A 105 -0.481 -11.332 -20.177 1.00 0.00 C ATOM 1595 C MET A 105 -1.218 -11.910 -18.972 1.00 0.00 C ATOM 1596 O MET A 105 -1.213 -13.121 -18.752 1.00 0.00 O ATOM 1597 CB MET A 105 0.995 -11.125 -19.835 1.00 0.00 C ATOM 1598 CG MET A 105 1.573 -12.217 -18.949 1.00 0.00 C ATOM 1599 SD MET A 105 3.336 -12.477 -19.227 1.00 0.00 S ATOM 1600 CE MET A 105 3.992 -10.879 -18.755 1.00 0.00 C ATOM 0 H MET A 105 -0.484 -9.258 -20.485 1.00 0.00 H new ATOM 0 HA MET A 105 -0.559 -12.039 -21.003 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.570 -11.076 -20.760 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.112 -10.163 -19.336 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.409 -11.956 -17.904 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.039 -13.149 -19.133 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.600 -10.481 -19.568 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.169 -10.195 -18.548 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.607 -10.988 -17.862 1.00 0.00 H new ATOM 1610 N VAL A 106 -1.850 -11.036 -18.196 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.591 -11.460 -17.014 1.00 0.00 C ATOM 1612 C VAL A 106 -4.095 -11.355 -17.242 1.00 0.00 C ATOM 1613 O VAL A 106 -4.832 -12.320 -17.041 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.210 -10.620 -15.781 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.942 -11.121 -14.545 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.704 -10.644 -15.565 1.00 0.00 C ATOM 0 H VAL A 106 -1.864 -10.030 -18.364 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.326 -12.501 -16.831 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.513 -9.588 -15.959 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.660 -10.515 -13.684 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.018 -11.047 -14.704 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.674 -12.161 -14.360 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.452 -10.045 -14.690 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.375 -11.671 -15.409 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.204 -10.232 -16.442 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.543 -10.176 -17.662 1.00 0.00 N ATOM 1627 CA GLN A 107 -5.960 -9.945 -17.917 1.00 0.00 C ATOM 1628 C GLN A 107 -6.479 -10.887 -18.998 1.00 0.00 C ATOM 1629 O GLN A 107 -7.649 -11.272 -18.990 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.194 -8.492 -18.335 1.00 0.00 C ATOM 1631 CG GLN A 107 -5.741 -7.480 -17.296 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.074 -7.907 -15.880 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -7.121 -7.548 -15.341 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -5.182 -8.679 -15.269 1.00 0.00 N ATOM 0 H GLN A 107 -3.946 -9.367 -17.833 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.506 -10.143 -16.995 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.666 -8.302 -19.270 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.256 -8.346 -18.533 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.665 -7.333 -17.383 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.212 -6.519 -17.502 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.327 -8.953 -15.754 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.352 -8.998 -14.315 1.00 0.00 H new ATOM 1643 N SER A 108 -5.603 -11.255 -19.927 1.00 0.00 N ATOM 1644 CA SER A 108 -5.974 -12.149 -21.017 1.00 0.00 C ATOM 1645 C SER A 108 -5.028 -13.345 -21.086 1.00 0.00 C ATOM 1646 O SER A 108 -4.902 -13.990 -22.125 1.00 0.00 O ATOM 1647 CB SER A 108 -5.961 -11.397 -22.349 1.00 0.00 C ATOM 1648 OG SER A 108 -6.939 -10.371 -22.365 1.00 0.00 O ATOM 0 H SER A 108 -4.631 -10.948 -19.947 1.00 0.00 H new ATOM 0 HA SER A 108 -6.982 -12.516 -20.825 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.974 -10.966 -22.517 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.147 -12.094 -23.166 1.00 0.00 H new ATOM 0 HG SER A 108 -6.909 -9.904 -23.226 1.00 0.00 H new TER 1654 SER A 108