USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 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 40 SER OG : rot 94:sc= 1.2 USER MOD Set 1.2: A 103 GLN : amide:sc= -2.36 K(o=-1.2,f=-5.2) USER MOD Set 2.1: A 1 SER N :NH3+ 134:sc= 0.0747 (180deg=0) USER MOD Set 2.2: A 72 SER OG : rot 179:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -0.221 USER MOD Set 3.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -134:sc= 0.821 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 7 SER OG : rot 180:sc= -0.601 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -21:sc= 0.093 USER MOD Single : A 19 GLN : amide:sc= -0.563 K(o=-0.56,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.269 X(o=-0.27,f=0.0015) USER MOD Single : A 33 SER OG : rot -20:sc= -4.39! USER MOD Single : A 35 MET CE :methyl 171:sc=-0.00082 (180deg=-0.122) USER MOD Single : A 36 SER OG : rot 145:sc= 0.625 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.91) USER MOD Single : A 44 LYS NZ :NH3+ -128:sc=-0.000445 (180deg=-0.0596) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.21 K(o=-0.21,f=-5!) USER MOD Single : A 55 SER OG : rot -121:sc= 0.207 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.71 X(o=-2.7,f=-3.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 80 SER OG : rot -120:sc= 0.604 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 92:sc= 0.26 USER MOD Single : A 91 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -127:sc= -3.95! (180deg=-6.31!) USER MOD Single : A 107 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.11) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.247 0.738 -1.411 1.00 24.45 N ATOM 2 CA SER A 1 1.387 0.108 -2.718 1.00 41.04 C ATOM 3 C SER A 1 1.963 -1.298 -2.585 1.00 64.35 C ATOM 4 O SER A 1 2.466 -1.679 -1.527 1.00 40.32 O ATOM 5 CB SER A 1 2.284 0.956 -3.623 1.00 32.42 C ATOM 6 OG SER A 1 1.705 2.226 -3.869 1.00 25.24 O ATOM 0 H1 SER A 1 1.616 1.710 -1.453 1.00 24.45 H new ATOM 0 H2 SER A 1 0.243 0.760 -1.142 1.00 24.45 H new ATOM 0 H3 SER A 1 1.783 0.194 -0.704 1.00 24.45 H new ATOM 0 HA SER A 1 0.396 0.034 -3.166 1.00 41.04 H new ATOM 0 HB2 SER A 1 3.261 1.082 -3.157 1.00 32.42 H new ATOM 0 HB3 SER A 1 2.447 0.438 -4.568 1.00 32.42 H new ATOM 0 HG SER A 1 1.769 2.435 -4.824 1.00 25.24 H new ATOM 12 N LEU A 2 1.887 -2.067 -3.667 1.00 10.45 N ATOM 13 CA LEU A 2 2.401 -3.432 -3.673 1.00 12.13 C ATOM 14 C LEU A 2 3.831 -3.478 -3.146 1.00 5.22 C ATOM 15 O LEU A 2 4.109 -4.108 -2.125 1.00 23.20 O ATOM 16 CB LEU A 2 2.347 -4.011 -5.087 1.00 64.44 C ATOM 17 CG LEU A 2 1.043 -3.792 -5.854 1.00 12.50 C ATOM 18 CD1 LEU A 2 -0.128 -3.670 -4.891 1.00 52.12 C ATOM 19 CD2 LEU A 2 1.143 -2.554 -6.734 1.00 2.25 C ATOM 0 H LEU A 2 1.474 -1.768 -4.551 1.00 10.45 H new ATOM 0 HA LEU A 2 1.773 -4.034 -3.016 1.00 12.13 H new ATOM 0 HB2 LEU A 2 3.163 -3.578 -5.666 1.00 64.44 H new ATOM 0 HB3 LEU A 2 2.533 -5.083 -5.026 1.00 64.44 H new ATOM 0 HG LEU A 2 0.871 -4.656 -6.495 1.00 12.50 H new ATOM 0 HD11 LEU A 2 -1.048 -3.514 -5.455 1.00 52.12 H new ATOM 0 HD12 LEU A 2 -0.213 -4.584 -4.303 1.00 52.12 H new ATOM 0 HD13 LEU A 2 0.036 -2.824 -4.224 1.00 52.12 H new ATOM 0 HD21 LEU A 2 0.206 -2.414 -7.273 1.00 2.25 H new ATOM 0 HD22 LEU A 2 1.338 -1.680 -6.112 1.00 2.25 H new ATOM 0 HD23 LEU A 2 1.957 -2.680 -7.448 1.00 2.25 H new ATOM 31 N THR A 3 4.737 -2.804 -3.848 1.00 2.54 N ATOM 32 CA THR A 3 6.139 -2.766 -3.451 1.00 31.14 C ATOM 33 C THR A 3 6.697 -4.173 -3.271 1.00 62.21 C ATOM 34 O THR A 3 7.678 -4.375 -2.555 1.00 62.42 O ATOM 35 CB THR A 3 6.331 -1.979 -2.141 1.00 10.14 C ATOM 36 OG1 THR A 3 5.058 -1.678 -1.559 1.00 14.31 O ATOM 37 CG2 THR A 3 7.097 -0.689 -2.392 1.00 3.02 C ATOM 0 H THR A 3 4.524 -2.277 -4.695 1.00 2.54 H new ATOM 0 HA THR A 3 6.681 -2.262 -4.252 1.00 31.14 H new ATOM 0 HB THR A 3 6.907 -2.597 -1.453 1.00 10.14 H new ATOM 0 HG1 THR A 3 5.189 -1.179 -0.726 1.00 14.31 H new ATOM 0 HG21 THR A 3 7.220 -0.150 -1.452 1.00 3.02 H new ATOM 0 HG22 THR A 3 8.077 -0.923 -2.808 1.00 3.02 H new ATOM 0 HG23 THR A 3 6.543 -0.068 -3.096 1.00 3.02 H new ATOM 45 N ASP A 4 6.067 -5.142 -3.926 1.00 23.45 N ATOM 46 CA ASP A 4 6.503 -6.532 -3.839 1.00 53.54 C ATOM 47 C ASP A 4 6.747 -7.112 -5.229 1.00 52.41 C ATOM 48 O ASP A 4 7.180 -8.256 -5.367 1.00 44.12 O ATOM 49 CB ASP A 4 5.460 -7.370 -3.099 1.00 71.30 C ATOM 50 CG ASP A 4 5.709 -7.416 -1.604 1.00 53.12 C ATOM 51 OD1 ASP A 4 5.756 -6.337 -0.978 1.00 13.21 O ATOM 52 OD2 ASP A 4 5.857 -8.531 -1.061 1.00 5.31 O ATOM 0 H ASP A 4 5.253 -4.991 -4.523 1.00 23.45 H new ATOM 0 HA ASP A 4 7.440 -6.560 -3.283 1.00 53.54 H new ATOM 0 HB2 ASP A 4 4.468 -6.959 -3.287 1.00 71.30 H new ATOM 0 HB3 ASP A 4 5.465 -8.385 -3.497 1.00 71.30 H new ATOM 57 N ILE A 5 6.465 -6.316 -6.255 1.00 14.42 N ATOM 58 CA ILE A 5 6.654 -6.750 -7.633 1.00 74.41 C ATOM 59 C ILE A 5 7.386 -5.690 -8.448 1.00 64.44 C ATOM 60 O ILE A 5 8.512 -5.907 -8.901 1.00 15.15 O ATOM 61 CB ILE A 5 5.308 -7.066 -8.313 1.00 64.04 C ATOM 62 CG1 ILE A 5 4.520 -8.084 -7.487 1.00 24.24 C ATOM 63 CG2 ILE A 5 5.538 -7.586 -9.725 1.00 14.52 C ATOM 64 CD1 ILE A 5 3.574 -7.451 -6.491 1.00 31.11 C ATOM 0 H ILE A 5 6.105 -5.367 -6.157 1.00 14.42 H new ATOM 0 HA ILE A 5 7.256 -7.658 -7.598 1.00 74.41 H new ATOM 0 HB ILE A 5 4.724 -6.147 -8.375 1.00 64.04 H new ATOM 0 HG12 ILE A 5 3.950 -8.724 -8.161 1.00 24.24 H new ATOM 0 HG13 ILE A 5 5.220 -8.727 -6.953 1.00 24.24 H new ATOM 0 HG21 ILE A 5 4.578 -7.805 -10.193 1.00 14.52 H new ATOM 0 HG22 ILE A 5 6.063 -6.831 -10.310 1.00 14.52 H new ATOM 0 HG23 ILE A 5 6.138 -8.495 -9.685 1.00 14.52 H new ATOM 0 HD11 ILE A 5 3.049 -8.232 -5.941 1.00 31.11 H new ATOM 0 HD12 ILE A 5 4.140 -6.834 -5.793 1.00 31.11 H new ATOM 0 HD13 ILE A 5 2.850 -6.831 -7.020 1.00 31.11 H new ATOM 76 N LEU A 6 6.742 -4.543 -8.631 1.00 44.04 N ATOM 77 CA LEU A 6 7.333 -3.447 -9.391 1.00 4.41 C ATOM 78 C LEU A 6 7.982 -2.427 -8.460 1.00 64.13 C ATOM 79 O LEU A 6 7.648 -2.350 -7.278 1.00 41.11 O ATOM 80 CB LEU A 6 6.269 -2.764 -10.251 1.00 15.31 C ATOM 81 CG LEU A 6 5.785 -3.550 -11.470 1.00 14.11 C ATOM 82 CD1 LEU A 6 4.389 -3.102 -11.874 1.00 53.12 C ATOM 83 CD2 LEU A 6 6.756 -3.387 -12.630 1.00 0.32 C ATOM 0 H LEU A 6 5.811 -4.347 -8.264 1.00 44.04 H new ATOM 0 HA LEU A 6 8.104 -3.862 -10.040 1.00 4.41 H new ATOM 0 HB2 LEU A 6 5.408 -2.543 -9.621 1.00 15.31 H new ATOM 0 HB3 LEU A 6 6.666 -1.809 -10.594 1.00 15.31 H new ATOM 0 HG LEU A 6 5.743 -4.606 -11.204 1.00 14.11 H new ATOM 0 HD11 LEU A 6 4.061 -3.672 -12.743 1.00 53.12 H new ATOM 0 HD12 LEU A 6 3.699 -3.272 -11.047 1.00 53.12 H new ATOM 0 HD13 LEU A 6 4.405 -2.041 -12.121 1.00 53.12 H new ATOM 0 HD21 LEU A 6 6.395 -3.953 -13.489 1.00 0.32 H new ATOM 0 HD22 LEU A 6 6.831 -2.333 -12.896 1.00 0.32 H new ATOM 0 HD23 LEU A 6 7.738 -3.758 -12.337 1.00 0.32 H new ATOM 95 N SER A 7 8.910 -1.645 -9.002 1.00 65.25 N ATOM 96 CA SER A 7 9.608 -0.631 -8.220 1.00 54.04 C ATOM 97 C SER A 7 8.716 0.585 -7.990 1.00 11.31 C ATOM 98 O SER A 7 7.728 0.804 -8.691 1.00 14.23 O ATOM 99 CB SER A 7 10.895 -0.206 -8.929 1.00 25.42 C ATOM 100 OG SER A 7 12.034 -0.512 -8.143 1.00 3.33 O ATOM 0 H SER A 7 9.196 -1.694 -9.980 1.00 65.25 H new ATOM 0 HA SER A 7 9.861 -1.064 -7.252 1.00 54.04 H new ATOM 0 HB2 SER A 7 10.967 -0.711 -9.892 1.00 25.42 H new ATOM 0 HB3 SER A 7 10.866 0.865 -9.132 1.00 25.42 H new ATOM 0 HG SER A 7 12.844 -0.232 -8.618 1.00 3.33 H new ATOM 106 N PRO A 8 9.072 1.397 -6.983 1.00 21.30 N ATOM 107 CA PRO A 8 8.319 2.605 -6.636 1.00 15.22 C ATOM 108 C PRO A 8 8.453 3.696 -7.693 1.00 5.13 C ATOM 109 O PRO A 8 7.459 4.272 -8.135 1.00 23.33 O ATOM 110 CB PRO A 8 8.956 3.055 -5.319 1.00 22.21 C ATOM 111 CG PRO A 8 10.337 2.497 -5.357 1.00 1.02 C ATOM 112 CD PRO A 8 10.238 1.197 -6.106 1.00 42.12 C ATOM 0 HA PRO A 8 7.249 2.411 -6.563 1.00 15.22 H new ATOM 0 HB2 PRO A 8 8.970 4.142 -5.237 1.00 22.21 H new ATOM 0 HB3 PRO A 8 8.400 2.678 -4.461 1.00 22.21 H new ATOM 0 HG2 PRO A 8 11.022 3.183 -5.855 1.00 1.02 H new ATOM 0 HG3 PRO A 8 10.722 2.339 -4.350 1.00 1.02 H new ATOM 0 HD2 PRO A 8 11.142 0.994 -6.680 1.00 42.12 H new ATOM 0 HD3 PRO A 8 10.093 0.354 -5.430 1.00 42.12 H new ATOM 120 N SER A 9 9.690 3.975 -8.094 1.00 55.21 N ATOM 121 CA SER A 9 9.954 5.000 -9.097 1.00 65.22 C ATOM 122 C SER A 9 9.155 4.735 -10.369 1.00 73.41 C ATOM 123 O SER A 9 8.531 5.640 -10.923 1.00 73.33 O ATOM 124 CB SER A 9 11.449 5.051 -9.422 1.00 54.21 C ATOM 125 OG SER A 9 11.959 3.755 -9.680 1.00 62.22 O ATOM 0 H SER A 9 10.524 3.506 -7.740 1.00 55.21 H new ATOM 0 HA SER A 9 9.644 5.962 -8.688 1.00 65.22 H new ATOM 0 HB2 SER A 9 11.614 5.690 -10.290 1.00 54.21 H new ATOM 0 HB3 SER A 9 11.990 5.499 -8.589 1.00 54.21 H new ATOM 0 HG SER A 9 12.915 3.815 -9.887 1.00 62.22 H new ATOM 131 N ASP A 10 9.179 3.487 -10.826 1.00 15.42 N ATOM 132 CA ASP A 10 8.455 3.101 -12.032 1.00 24.22 C ATOM 133 C ASP A 10 6.961 3.363 -11.877 1.00 13.42 C ATOM 134 O ASP A 10 6.282 3.728 -12.837 1.00 72.33 O ATOM 135 CB ASP A 10 8.696 1.623 -12.345 1.00 45.32 C ATOM 136 CG ASP A 10 10.111 1.356 -12.820 1.00 22.52 C ATOM 137 OD1 ASP A 10 10.678 2.225 -13.514 1.00 3.04 O ATOM 138 OD2 ASP A 10 10.651 0.276 -12.498 1.00 71.03 O ATOM 0 H ASP A 10 9.692 2.726 -10.380 1.00 15.42 H new ATOM 0 HA ASP A 10 8.827 3.706 -12.859 1.00 24.22 H new ATOM 0 HB2 ASP A 10 8.497 1.028 -11.453 1.00 45.32 H new ATOM 0 HB3 ASP A 10 7.991 1.297 -13.110 1.00 45.32 H new ATOM 143 N ILE A 11 6.455 3.175 -10.663 1.00 31.04 N ATOM 144 CA ILE A 11 5.041 3.392 -10.383 1.00 31.44 C ATOM 145 C ILE A 11 4.718 4.880 -10.304 1.00 74.24 C ATOM 146 O ILE A 11 3.811 5.365 -10.980 1.00 74.41 O ATOM 147 CB ILE A 11 4.618 2.716 -9.065 1.00 21.12 C ATOM 148 CG1 ILE A 11 4.756 1.196 -9.178 1.00 43.41 C ATOM 149 CG2 ILE A 11 3.189 3.098 -8.708 1.00 43.23 C ATOM 150 CD1 ILE A 11 4.962 0.507 -7.847 1.00 43.53 C ATOM 0 H ILE A 11 7.003 2.873 -9.858 1.00 31.04 H new ATOM 0 HA ILE A 11 4.484 2.945 -11.207 1.00 31.44 H new ATOM 0 HB ILE A 11 5.276 3.064 -8.269 1.00 21.12 H new ATOM 0 HG12 ILE A 11 3.861 0.792 -9.652 1.00 43.41 H new ATOM 0 HG13 ILE A 11 5.596 0.963 -9.832 1.00 43.41 H new ATOM 0 HG21 ILE A 11 2.905 2.612 -7.774 1.00 43.23 H new ATOM 0 HG22 ILE A 11 3.120 4.179 -8.590 1.00 43.23 H new ATOM 0 HG23 ILE A 11 2.517 2.776 -9.503 1.00 43.23 H new ATOM 0 HD11 ILE A 11 5.052 -0.568 -8.004 1.00 43.53 H new ATOM 0 HD12 ILE A 11 5.872 0.883 -7.380 1.00 43.53 H new ATOM 0 HD13 ILE A 11 4.111 0.709 -7.197 1.00 43.53 H new ATOM 162 N ALA A 12 5.467 5.600 -9.476 1.00 64.24 N ATOM 163 CA ALA A 12 5.263 7.034 -9.313 1.00 25.23 C ATOM 164 C ALA A 12 5.317 7.753 -10.656 1.00 73.24 C ATOM 165 O ALA A 12 4.701 8.804 -10.833 1.00 63.34 O ATOM 166 CB ALA A 12 6.303 7.610 -8.362 1.00 72.53 C ATOM 0 H ALA A 12 6.221 5.214 -8.908 1.00 64.24 H new ATOM 0 HA ALA A 12 4.271 7.189 -8.888 1.00 25.23 H new ATOM 0 HB1 ALA A 12 6.139 8.682 -8.249 1.00 72.53 H new ATOM 0 HB2 ALA A 12 6.215 7.125 -7.390 1.00 72.53 H new ATOM 0 HB3 ALA A 12 7.301 7.436 -8.765 1.00 72.53 H new ATOM 172 N ALA A 13 6.057 7.180 -11.600 1.00 34.20 N ATOM 173 CA ALA A 13 6.189 7.766 -12.928 1.00 72.21 C ATOM 174 C ALA A 13 4.951 7.491 -13.775 1.00 14.41 C ATOM 175 O ALA A 13 4.616 8.265 -14.671 1.00 43.33 O ATOM 176 CB ALA A 13 7.433 7.230 -13.620 1.00 62.40 C ATOM 0 H ALA A 13 6.574 6.311 -11.469 1.00 34.20 H new ATOM 0 HA ALA A 13 6.287 8.846 -12.813 1.00 72.21 H new ATOM 0 HB1 ALA A 13 7.519 7.676 -14.611 1.00 62.40 H new ATOM 0 HB2 ALA A 13 8.314 7.482 -13.031 1.00 62.40 H new ATOM 0 HB3 ALA A 13 7.358 6.147 -13.715 1.00 62.40 H new ATOM 182 N ALA A 14 4.274 6.385 -13.485 1.00 24.31 N ATOM 183 CA ALA A 14 3.073 6.009 -14.219 1.00 55.31 C ATOM 184 C ALA A 14 1.837 6.681 -13.630 1.00 50.50 C ATOM 185 O ALA A 14 1.001 7.217 -14.360 1.00 23.23 O ATOM 186 CB ALA A 14 2.904 4.497 -14.218 1.00 41.22 C ATOM 0 H ALA A 14 4.538 5.733 -12.746 1.00 24.31 H new ATOM 0 HA ALA A 14 3.185 6.350 -15.248 1.00 55.31 H new ATOM 0 HB1 ALA A 14 2.003 4.231 -14.770 1.00 41.22 H new ATOM 0 HB2 ALA A 14 3.769 4.034 -14.692 1.00 41.22 H new ATOM 0 HB3 ALA A 14 2.819 4.141 -13.191 1.00 41.22 H new ATOM 192 N LEU A 15 1.726 6.650 -12.307 1.00 24.24 N ATOM 193 CA LEU A 15 0.592 7.256 -11.619 1.00 35.21 C ATOM 194 C LEU A 15 0.407 8.708 -12.047 1.00 45.14 C ATOM 195 O LEU A 15 -0.679 9.109 -12.466 1.00 3.22 O ATOM 196 CB LEU A 15 0.788 7.180 -10.104 1.00 5.22 C ATOM 197 CG LEU A 15 0.282 5.908 -9.424 1.00 23.41 C ATOM 198 CD1 LEU A 15 0.738 5.860 -7.974 1.00 22.42 C ATOM 199 CD2 LEU A 15 -1.235 5.824 -9.511 1.00 64.50 C ATOM 0 H LEU A 15 2.408 6.211 -11.689 1.00 24.24 H new ATOM 0 HA LEU A 15 -0.305 6.699 -11.891 1.00 35.21 H new ATOM 0 HB2 LEU A 15 1.852 7.284 -9.890 1.00 5.22 H new ATOM 0 HB3 LEU A 15 0.287 8.035 -9.650 1.00 5.22 H new ATOM 0 HG LEU A 15 0.704 5.048 -9.945 1.00 23.41 H new ATOM 0 HD11 LEU A 15 0.368 4.947 -7.506 1.00 22.42 H new ATOM 0 HD12 LEU A 15 1.827 5.872 -7.935 1.00 22.42 H new ATOM 0 HD13 LEU A 15 0.346 6.726 -7.440 1.00 22.42 H new ATOM 0 HD21 LEU A 15 -1.578 4.912 -9.022 1.00 64.50 H new ATOM 0 HD22 LEU A 15 -1.676 6.689 -9.016 1.00 64.50 H new ATOM 0 HD23 LEU A 15 -1.539 5.810 -10.558 1.00 64.50 H new ATOM 211 N ARG A 16 1.476 9.491 -11.942 1.00 23.21 N ATOM 212 CA ARG A 16 1.433 10.898 -12.319 1.00 51.34 C ATOM 213 C ARG A 16 1.314 11.052 -13.833 1.00 22.21 C ATOM 214 O ARG A 16 0.712 12.006 -14.325 1.00 1.42 O ATOM 215 CB ARG A 16 2.685 11.621 -11.819 1.00 52.34 C ATOM 216 CG ARG A 16 3.020 11.325 -10.367 1.00 12.23 C ATOM 217 CD ARG A 16 4.396 11.854 -9.993 1.00 54.42 C ATOM 218 NE ARG A 16 4.602 13.222 -10.462 1.00 14.33 N ATOM 219 CZ ARG A 16 5.800 13.754 -10.672 1.00 44.23 C ATOM 220 NH1 ARG A 16 6.895 13.037 -10.458 1.00 34.03 N ATOM 221 NH2 ARG A 16 5.906 15.006 -11.099 1.00 44.21 N ATOM 0 H ARG A 16 2.383 9.174 -11.599 1.00 23.21 H new ATOM 0 HA ARG A 16 0.554 11.346 -11.855 1.00 51.34 H new ATOM 0 HB2 ARG A 16 3.532 11.337 -12.444 1.00 52.34 H new ATOM 0 HB3 ARG A 16 2.546 12.695 -11.939 1.00 52.34 H new ATOM 0 HG2 ARG A 16 2.268 11.776 -9.720 1.00 12.23 H new ATOM 0 HG3 ARG A 16 2.984 10.249 -10.196 1.00 12.23 H new ATOM 0 HD2 ARG A 16 4.515 11.820 -8.910 1.00 54.42 H new ATOM 0 HD3 ARG A 16 5.162 11.206 -10.419 1.00 54.42 H new ATOM 0 HE ARG A 16 3.780 13.800 -10.638 1.00 14.33 H new ATOM 0 HH11 ARG A 16 6.818 12.074 -10.131 1.00 34.03 H new ATOM 0 HH12 ARG A 16 7.814 13.449 -10.620 1.00 34.03 H new ATOM 0 HH21 ARG A 16 5.066 15.561 -11.266 1.00 44.21 H new ATOM 0 HH22 ARG A 16 6.827 15.414 -11.260 1.00 44.21 H new ATOM 235 N ASP A 17 1.893 10.106 -14.565 1.00 54.43 N ATOM 236 CA ASP A 17 1.851 10.136 -16.023 1.00 24.13 C ATOM 237 C ASP A 17 0.412 10.192 -16.525 1.00 10.33 C ATOM 238 O ASP A 17 0.107 10.899 -17.486 1.00 72.34 O ATOM 239 CB ASP A 17 2.558 8.908 -16.599 1.00 71.11 C ATOM 240 CG ASP A 17 2.131 8.610 -18.023 1.00 23.30 C ATOM 241 OD1 ASP A 17 1.145 7.865 -18.203 1.00 3.02 O ATOM 242 OD2 ASP A 17 2.784 9.120 -18.958 1.00 10.24 O ATOM 0 H ASP A 17 2.396 9.310 -14.173 1.00 54.43 H new ATOM 0 HA ASP A 17 2.368 11.035 -16.359 1.00 24.13 H new ATOM 0 HB2 ASP A 17 3.636 9.067 -16.572 1.00 71.11 H new ATOM 0 HB3 ASP A 17 2.347 8.043 -15.971 1.00 71.11 H new ATOM 247 N CYS A 18 -0.468 9.444 -15.869 1.00 25.34 N ATOM 248 CA CYS A 18 -1.875 9.407 -16.250 1.00 31.14 C ATOM 249 C CYS A 18 -2.773 9.469 -15.018 1.00 53.25 C ATOM 250 O CYS A 18 -3.727 8.702 -14.896 1.00 34.23 O ATOM 251 CB CYS A 18 -2.175 8.139 -17.051 1.00 50.40 C ATOM 252 SG CYS A 18 -1.472 6.633 -16.340 1.00 64.14 S ATOM 0 H CYS A 18 -0.232 8.855 -15.071 1.00 25.34 H new ATOM 0 HA CYS A 18 -2.081 10.278 -16.872 1.00 31.14 H new ATOM 0 HB2 CYS A 18 -3.256 8.020 -17.131 1.00 50.40 H new ATOM 0 HB3 CYS A 18 -1.792 8.263 -18.064 1.00 50.40 H new ATOM 0 HG CYS A 18 -0.496 6.945 -15.540 1.00 64.14 H new ATOM 258 N GLN A 19 -2.460 10.387 -14.109 1.00 62.25 N ATOM 259 CA GLN A 19 -3.238 10.547 -12.887 1.00 4.03 C ATOM 260 C GLN A 19 -4.623 11.107 -13.192 1.00 71.52 C ATOM 261 O GLN A 19 -5.608 10.732 -12.557 1.00 13.22 O ATOM 262 CB GLN A 19 -2.507 11.469 -11.909 1.00 65.11 C ATOM 263 CG GLN A 19 -2.035 12.771 -12.537 1.00 75.31 C ATOM 264 CD GLN A 19 -1.550 13.773 -11.508 1.00 71.23 C ATOM 265 OE1 GLN A 19 -1.891 14.955 -11.567 1.00 63.32 O ATOM 266 NE2 GLN A 19 -0.750 13.305 -10.557 1.00 41.05 N ATOM 0 H GLN A 19 -1.674 11.031 -14.196 1.00 62.25 H new ATOM 0 HA GLN A 19 -3.356 9.564 -12.431 1.00 4.03 H new ATOM 0 HB2 GLN A 19 -3.169 11.697 -11.074 1.00 65.11 H new ATOM 0 HB3 GLN A 19 -1.647 10.941 -11.498 1.00 65.11 H new ATOM 0 HG2 GLN A 19 -1.230 12.560 -13.240 1.00 75.31 H new ATOM 0 HG3 GLN A 19 -2.851 13.211 -13.110 1.00 75.31 H new ATOM 0 HE21 GLN A 19 -0.493 12.318 -10.547 1.00 41.05 H new ATOM 0 HE22 GLN A 19 -0.392 13.933 -9.837 1.00 41.05 H new ATOM 275 N ALA A 20 -4.691 12.005 -14.169 1.00 3.42 N ATOM 276 CA ALA A 20 -5.956 12.615 -14.560 1.00 4.25 C ATOM 277 C ALA A 20 -6.995 11.553 -14.902 1.00 65.23 C ATOM 278 O ALA A 20 -6.671 10.466 -15.382 1.00 54.00 O ATOM 279 CB ALA A 20 -5.747 13.553 -15.740 1.00 33.42 C ATOM 0 H ALA A 20 -3.885 12.326 -14.705 1.00 3.42 H new ATOM 0 HA ALA A 20 -6.330 13.192 -13.714 1.00 4.25 H new ATOM 0 HB1 ALA A 20 -6.700 14.002 -16.021 1.00 33.42 H new ATOM 0 HB2 ALA A 20 -5.045 14.338 -15.461 1.00 33.42 H new ATOM 0 HB3 ALA A 20 -5.347 12.992 -16.584 1.00 33.42 H new ATOM 285 N PRO A 21 -8.273 11.871 -14.651 1.00 0.34 N ATOM 286 CA PRO A 21 -9.385 10.957 -14.925 1.00 33.20 C ATOM 287 C PRO A 21 -9.624 10.767 -16.419 1.00 34.41 C ATOM 288 O PRO A 21 -9.405 11.681 -17.214 1.00 13.04 O ATOM 289 CB PRO A 21 -10.585 11.652 -14.276 1.00 5.22 C ATOM 290 CG PRO A 21 -10.223 13.097 -14.262 1.00 3.21 C ATOM 291 CD PRO A 21 -8.731 13.149 -14.079 1.00 70.13 C ATOM 0 HA PRO A 21 -9.194 9.956 -14.538 1.00 33.20 H new ATOM 0 HB2 PRO A 21 -11.499 11.478 -14.845 1.00 5.22 H new ATOM 0 HB3 PRO A 21 -10.761 11.278 -13.267 1.00 5.22 H new ATOM 0 HG2 PRO A 21 -10.519 13.582 -15.192 1.00 3.21 H new ATOM 0 HG3 PRO A 21 -10.734 13.619 -13.453 1.00 3.21 H new ATOM 0 HD2 PRO A 21 -8.292 14.002 -14.597 1.00 70.13 H new ATOM 0 HD3 PRO A 21 -8.458 13.240 -13.028 1.00 70.13 H new ATOM 299 N ASP A 22 -10.075 9.575 -16.794 1.00 71.31 N ATOM 300 CA ASP A 22 -10.346 9.265 -18.193 1.00 44.23 C ATOM 301 C ASP A 22 -9.146 9.615 -19.069 1.00 15.31 C ATOM 302 O ASP A 22 -9.299 9.946 -20.245 1.00 14.55 O ATOM 303 CB ASP A 22 -11.583 10.023 -18.675 1.00 55.23 C ATOM 304 CG ASP A 22 -12.115 9.487 -19.990 1.00 11.10 C ATOM 305 OD1 ASP A 22 -12.585 8.330 -20.013 1.00 11.02 O ATOM 306 OD2 ASP A 22 -12.062 10.225 -20.996 1.00 30.21 O ATOM 0 H ASP A 22 -10.261 8.807 -16.149 1.00 71.31 H new ATOM 0 HA ASP A 22 -10.532 8.194 -18.273 1.00 44.23 H new ATOM 0 HB2 ASP A 22 -12.364 9.958 -17.917 1.00 55.23 H new ATOM 0 HB3 ASP A 22 -11.337 11.079 -18.789 1.00 55.23 H new ATOM 311 N SER A 23 -7.954 9.541 -18.487 1.00 64.33 N ATOM 312 CA SER A 23 -6.728 9.855 -19.213 1.00 74.41 C ATOM 313 C SER A 23 -5.734 8.701 -19.125 1.00 31.21 C ATOM 314 O SER A 23 -4.553 8.859 -19.433 1.00 44.21 O ATOM 315 CB SER A 23 -6.095 11.132 -18.659 1.00 10.04 C ATOM 316 OG SER A 23 -6.440 12.257 -19.449 1.00 21.33 O ATOM 0 H SER A 23 -7.810 9.267 -17.515 1.00 64.33 H new ATOM 0 HA SER A 23 -6.985 10.011 -20.261 1.00 74.41 H new ATOM 0 HB2 SER A 23 -6.426 11.290 -17.632 1.00 10.04 H new ATOM 0 HB3 SER A 23 -5.011 11.022 -18.631 1.00 10.04 H new ATOM 0 HG SER A 23 -6.024 13.061 -19.073 1.00 21.33 H new ATOM 322 N PHE A 24 -6.221 7.539 -18.702 1.00 14.13 N ATOM 323 CA PHE A 24 -5.377 6.358 -18.571 1.00 64.33 C ATOM 324 C PHE A 24 -6.029 5.147 -19.232 1.00 71.11 C ATOM 325 O PHE A 24 -7.223 5.158 -19.531 1.00 32.31 O ATOM 326 CB PHE A 24 -5.102 6.061 -17.096 1.00 12.25 C ATOM 327 CG PHE A 24 -5.936 4.940 -16.544 1.00 52.41 C ATOM 328 CD1 PHE A 24 -7.247 5.162 -16.155 1.00 35.23 C ATOM 329 CD2 PHE A 24 -5.409 3.665 -16.416 1.00 13.45 C ATOM 330 CE1 PHE A 24 -8.017 4.132 -15.646 1.00 43.33 C ATOM 331 CE2 PHE A 24 -6.174 2.632 -15.908 1.00 70.10 C ATOM 332 CZ PHE A 24 -7.480 2.866 -15.524 1.00 22.41 C ATOM 0 H PHE A 24 -7.197 7.390 -18.444 1.00 14.13 H new ATOM 0 HA PHE A 24 -4.432 6.561 -19.075 1.00 64.33 H new ATOM 0 HB2 PHE A 24 -4.048 5.813 -16.974 1.00 12.25 H new ATOM 0 HB3 PHE A 24 -5.287 6.962 -16.512 1.00 12.25 H new ATOM 0 HD1 PHE A 24 -7.672 6.150 -16.250 1.00 35.23 H new ATOM 0 HD2 PHE A 24 -4.389 3.476 -16.717 1.00 13.45 H new ATOM 0 HE1 PHE A 24 -9.037 4.318 -15.344 1.00 43.33 H new ATOM 0 HE2 PHE A 24 -5.751 1.643 -15.811 1.00 70.10 H new ATOM 0 HZ PHE A 24 -8.080 2.060 -15.129 1.00 22.41 H new ATOM 342 N SER A 25 -5.236 4.104 -19.458 1.00 11.42 N ATOM 343 CA SER A 25 -5.734 2.887 -20.087 1.00 73.02 C ATOM 344 C SER A 25 -5.131 1.649 -19.429 1.00 53.55 C ATOM 345 O SER A 25 -4.102 1.712 -18.756 1.00 73.24 O ATOM 346 CB SER A 25 -5.412 2.892 -21.583 1.00 3.03 C ATOM 347 OG SER A 25 -6.592 3.003 -22.359 1.00 33.23 O ATOM 0 H SER A 25 -4.246 4.078 -19.215 1.00 11.42 H new ATOM 0 HA SER A 25 -6.816 2.856 -19.956 1.00 73.02 H new ATOM 0 HB2 SER A 25 -4.744 3.722 -21.811 1.00 3.03 H new ATOM 0 HB3 SER A 25 -4.884 1.976 -21.847 1.00 3.03 H new ATOM 0 HG SER A 25 -6.359 3.006 -23.311 1.00 33.23 H new ATOM 353 N PRO A 26 -5.787 0.496 -19.628 1.00 1.20 N ATOM 354 CA PRO A 26 -5.334 -0.779 -19.063 1.00 55.25 C ATOM 355 C PRO A 26 -4.053 -1.281 -19.719 1.00 43.14 C ATOM 356 O PRO A 26 -3.329 -2.098 -19.149 1.00 15.43 O ATOM 357 CB PRO A 26 -6.496 -1.730 -19.361 1.00 62.52 C ATOM 358 CG PRO A 26 -7.172 -1.142 -20.551 1.00 32.10 C ATOM 359 CD PRO A 26 -7.020 0.348 -20.419 1.00 41.02 C ATOM 0 HA PRO A 26 -5.095 -0.694 -18.003 1.00 55.25 H new ATOM 0 HB2 PRO A 26 -6.139 -2.739 -19.567 1.00 62.52 H new ATOM 0 HB3 PRO A 26 -7.177 -1.800 -18.513 1.00 62.52 H new ATOM 0 HG2 PRO A 26 -6.718 -1.500 -21.475 1.00 32.10 H new ATOM 0 HG3 PRO A 26 -8.224 -1.426 -20.582 1.00 32.10 H new ATOM 0 HD2 PRO A 26 -6.933 0.831 -21.392 1.00 41.02 H new ATOM 0 HD3 PRO A 26 -7.877 0.796 -19.916 1.00 41.02 H new ATOM 367 N LYS A 27 -3.776 -0.787 -20.922 1.00 33.34 N ATOM 368 CA LYS A 27 -2.581 -1.184 -21.656 1.00 25.13 C ATOM 369 C LYS A 27 -1.609 -0.015 -21.786 1.00 74.13 C ATOM 370 O LYS A 27 -0.855 0.074 -22.755 1.00 72.14 O ATOM 371 CB LYS A 27 -2.959 -1.704 -23.044 1.00 63.33 C ATOM 372 CG LYS A 27 -3.358 -0.608 -24.017 1.00 0.13 C ATOM 373 CD LYS A 27 -4.504 -1.047 -24.912 1.00 70.15 C ATOM 374 CE LYS A 27 -5.790 -1.231 -24.122 1.00 33.41 C ATOM 375 NZ LYS A 27 -6.683 -0.044 -24.231 1.00 20.44 N ATOM 0 H LYS A 27 -4.364 -0.111 -21.409 1.00 33.34 H new ATOM 0 HA LYS A 27 -2.090 -1.981 -21.098 1.00 25.13 H new ATOM 0 HB2 LYS A 27 -2.115 -2.256 -23.458 1.00 63.33 H new ATOM 0 HB3 LYS A 27 -3.784 -2.409 -22.946 1.00 63.33 H new ATOM 0 HG2 LYS A 27 -3.650 0.284 -23.462 1.00 0.13 H new ATOM 0 HG3 LYS A 27 -2.500 -0.335 -24.631 1.00 0.13 H new ATOM 0 HD2 LYS A 27 -4.660 -0.305 -25.695 1.00 70.15 H new ATOM 0 HD3 LYS A 27 -4.243 -1.983 -25.407 1.00 70.15 H new ATOM 0 HE2 LYS A 27 -6.315 -2.115 -24.484 1.00 33.41 H new ATOM 0 HE3 LYS A 27 -5.550 -1.410 -23.074 1.00 33.41 H new ATOM 0 HZ1 LYS A 27 -7.549 -0.209 -23.679 1.00 20.44 H new ATOM 0 HZ2 LYS A 27 -6.192 0.795 -23.862 1.00 20.44 H new ATOM 0 HZ3 LYS A 27 -6.933 0.112 -25.228 1.00 20.44 H new ATOM 389 N LYS A 28 -1.632 0.879 -20.804 1.00 2.40 N ATOM 390 CA LYS A 28 -0.752 2.042 -20.807 1.00 22.12 C ATOM 391 C LYS A 28 -0.119 2.249 -19.434 1.00 72.24 C ATOM 392 O LYS A 28 0.388 3.329 -19.130 1.00 63.51 O ATOM 393 CB LYS A 28 -1.529 3.295 -21.216 1.00 34.11 C ATOM 394 CG LYS A 28 -1.925 3.314 -22.682 1.00 63.33 C ATOM 395 CD LYS A 28 -0.753 3.695 -23.571 1.00 2.50 C ATOM 396 CE LYS A 28 -1.101 3.554 -25.045 1.00 15.03 C ATOM 397 NZ LYS A 28 -1.768 4.775 -25.577 1.00 22.03 N ATOM 0 H LYS A 28 -2.251 0.821 -19.995 1.00 2.40 H new ATOM 0 HA LYS A 28 0.043 1.863 -21.531 1.00 22.12 H new ATOM 0 HB2 LYS A 28 -2.428 3.370 -20.605 1.00 34.11 H new ATOM 0 HB3 LYS A 28 -0.922 4.175 -21.001 1.00 34.11 H new ATOM 0 HG2 LYS A 28 -2.298 2.332 -22.972 1.00 63.33 H new ATOM 0 HG3 LYS A 28 -2.741 4.022 -22.830 1.00 63.33 H new ATOM 0 HD2 LYS A 28 -0.457 4.723 -23.363 1.00 2.50 H new ATOM 0 HD3 LYS A 28 0.103 3.063 -23.336 1.00 2.50 H new ATOM 0 HE2 LYS A 28 -0.193 3.359 -25.615 1.00 15.03 H new ATOM 0 HE3 LYS A 28 -1.756 2.693 -25.183 1.00 15.03 H new ATOM 0 HZ1 LYS A 28 -1.989 4.639 -26.584 1.00 22.03 H new ATOM 0 HZ2 LYS A 28 -2.648 4.948 -25.050 1.00 22.03 H new ATOM 0 HZ3 LYS A 28 -1.134 5.592 -25.469 1.00 22.03 H new ATOM 411 N PHE A 29 -0.152 1.207 -18.610 1.00 3.22 N ATOM 412 CA PHE A 29 0.419 1.275 -17.270 1.00 1.04 C ATOM 413 C PHE A 29 1.540 0.253 -17.103 1.00 72.14 C ATOM 414 O PHE A 29 2.265 0.267 -16.109 1.00 23.52 O ATOM 415 CB PHE A 29 -0.666 1.035 -16.217 1.00 64.25 C ATOM 416 CG PHE A 29 -0.718 2.097 -15.157 1.00 50.32 C ATOM 417 CD1 PHE A 29 0.250 2.156 -14.168 1.00 23.10 C ATOM 418 CD2 PHE A 29 -1.736 3.037 -15.149 1.00 51.24 C ATOM 419 CE1 PHE A 29 0.205 3.133 -13.191 1.00 23.41 C ATOM 420 CE2 PHE A 29 -1.786 4.016 -14.175 1.00 50.42 C ATOM 421 CZ PHE A 29 -0.815 4.063 -13.194 1.00 41.41 C ATOM 0 H PHE A 29 -0.568 0.306 -18.846 1.00 3.22 H new ATOM 0 HA PHE A 29 0.837 2.272 -17.131 1.00 1.04 H new ATOM 0 HB2 PHE A 29 -1.635 0.979 -16.712 1.00 64.25 H new ATOM 0 HB3 PHE A 29 -0.494 0.068 -15.743 1.00 64.25 H new ATOM 0 HD1 PHE A 29 1.050 1.430 -14.160 1.00 23.10 H new ATOM 0 HD2 PHE A 29 -2.499 3.004 -15.913 1.00 51.24 H new ATOM 0 HE1 PHE A 29 0.967 3.169 -12.426 1.00 23.41 H new ATOM 0 HE2 PHE A 29 -2.584 4.744 -14.181 1.00 50.42 H new ATOM 0 HZ PHE A 29 -0.854 4.826 -12.431 1.00 41.41 H new ATOM 431 N PHE A 30 1.675 -0.633 -18.085 1.00 35.25 N ATOM 432 CA PHE A 30 2.705 -1.664 -18.047 1.00 62.14 C ATOM 433 C PHE A 30 3.989 -1.174 -18.711 1.00 10.22 C ATOM 434 O PHE A 30 5.052 -1.771 -18.545 1.00 21.03 O ATOM 435 CB PHE A 30 2.211 -2.934 -18.743 1.00 63.31 C ATOM 436 CG PHE A 30 2.146 -2.812 -20.239 1.00 0.14 C ATOM 437 CD1 PHE A 30 3.265 -3.060 -21.017 1.00 21.51 C ATOM 438 CD2 PHE A 30 0.966 -2.448 -20.866 1.00 54.22 C ATOM 439 CE1 PHE A 30 3.208 -2.949 -22.393 1.00 63.24 C ATOM 440 CE2 PHE A 30 0.903 -2.335 -22.242 1.00 73.33 C ATOM 441 CZ PHE A 30 2.026 -2.585 -23.007 1.00 33.13 C ATOM 0 H PHE A 30 1.084 -0.657 -18.916 1.00 35.25 H new ATOM 0 HA PHE A 30 2.920 -1.890 -17.003 1.00 62.14 H new ATOM 0 HB2 PHE A 30 2.871 -3.761 -18.482 1.00 63.31 H new ATOM 0 HB3 PHE A 30 1.220 -3.185 -18.364 1.00 63.31 H new ATOM 0 HD1 PHE A 30 4.193 -3.343 -20.542 1.00 21.51 H new ATOM 0 HD2 PHE A 30 0.085 -2.250 -20.273 1.00 54.22 H new ATOM 0 HE1 PHE A 30 4.087 -3.147 -22.988 1.00 63.24 H new ATOM 0 HE2 PHE A 30 -0.024 -2.051 -22.719 1.00 73.33 H new ATOM 0 HZ PHE A 30 1.979 -2.496 -24.082 1.00 33.13 H new ATOM 451 N GLN A 31 3.880 -0.083 -19.463 1.00 22.33 N ATOM 452 CA GLN A 31 5.032 0.487 -20.152 1.00 73.52 C ATOM 453 C GLN A 31 5.832 1.391 -19.220 1.00 74.33 C ATOM 454 O GLN A 31 7.057 1.470 -19.318 1.00 15.42 O ATOM 455 CB GLN A 31 4.578 1.275 -21.382 1.00 14.33 C ATOM 456 CG GLN A 31 3.336 0.704 -22.046 1.00 74.15 C ATOM 457 CD GLN A 31 2.999 1.400 -23.350 1.00 53.32 C ATOM 458 OE1 GLN A 31 2.692 0.753 -24.352 1.00 13.22 O ATOM 459 NE2 GLN A 31 3.054 2.727 -23.345 1.00 3.05 N ATOM 0 H GLN A 31 3.007 0.423 -19.610 1.00 22.33 H new ATOM 0 HA GLN A 31 5.675 -0.333 -20.472 1.00 73.52 H new ATOM 0 HB2 GLN A 31 4.382 2.307 -21.090 1.00 14.33 H new ATOM 0 HB3 GLN A 31 5.390 1.298 -22.109 1.00 14.33 H new ATOM 0 HG2 GLN A 31 3.485 -0.359 -22.234 1.00 74.15 H new ATOM 0 HG3 GLN A 31 2.491 0.791 -21.363 1.00 74.15 H new ATOM 0 HE21 GLN A 31 3.313 3.223 -22.492 1.00 3.05 H new ATOM 0 HE22 GLN A 31 2.837 3.250 -24.194 1.00 3.05 H new ATOM 468 N ILE A 32 5.131 2.070 -18.318 1.00 44.13 N ATOM 469 CA ILE A 32 5.777 2.968 -17.369 1.00 20.12 C ATOM 470 C ILE A 32 6.168 2.230 -16.093 1.00 31.11 C ATOM 471 O ILE A 32 7.158 2.570 -15.445 1.00 52.21 O ATOM 472 CB ILE A 32 4.863 4.153 -17.004 1.00 24.23 C ATOM 473 CG1 ILE A 32 4.407 4.882 -18.269 1.00 75.51 C ATOM 474 CG2 ILE A 32 5.586 5.109 -16.067 1.00 15.34 C ATOM 475 CD1 ILE A 32 2.970 4.594 -18.646 1.00 41.44 C ATOM 0 H ILE A 32 4.117 2.015 -18.225 1.00 44.13 H new ATOM 0 HA ILE A 32 6.675 3.349 -17.855 1.00 20.12 H new ATOM 0 HB ILE A 32 3.981 3.769 -16.491 1.00 24.23 H new ATOM 0 HG12 ILE A 32 4.528 5.955 -18.124 1.00 75.51 H new ATOM 0 HG13 ILE A 32 5.056 4.597 -19.097 1.00 75.51 H new ATOM 0 HG21 ILE A 32 4.928 5.941 -15.818 1.00 15.34 H new ATOM 0 HG22 ILE A 32 5.866 4.582 -15.155 1.00 15.34 H new ATOM 0 HG23 ILE A 32 6.483 5.489 -16.556 1.00 15.34 H new ATOM 0 HD11 ILE A 32 2.714 5.144 -19.552 1.00 41.44 H new ATOM 0 HD12 ILE A 32 2.847 3.525 -18.823 1.00 41.44 H new ATOM 0 HD13 ILE A 32 2.312 4.905 -17.835 1.00 41.44 H new ATOM 487 N SER A 33 5.384 1.216 -15.738 1.00 44.44 N ATOM 488 CA SER A 33 5.647 0.430 -14.538 1.00 41.55 C ATOM 489 C SER A 33 6.518 -0.780 -14.862 1.00 11.13 C ATOM 490 O SER A 33 7.681 -0.845 -14.466 1.00 60.34 O ATOM 491 CB SER A 33 4.332 -0.028 -13.905 1.00 50.32 C ATOM 492 OG SER A 33 4.494 -0.281 -12.520 1.00 53.43 O ATOM 0 H SER A 33 4.562 0.920 -16.264 1.00 44.44 H new ATOM 0 HA SER A 33 6.182 1.062 -13.829 1.00 41.55 H new ATOM 0 HB2 SER A 33 3.569 0.736 -14.052 1.00 50.32 H new ATOM 0 HB3 SER A 33 3.979 -0.931 -14.404 1.00 50.32 H new ATOM 0 HG SER A 33 5.443 -0.423 -12.322 1.00 53.43 H new ATOM 498 N GLY A 34 5.945 -1.738 -15.584 1.00 55.33 N ATOM 499 CA GLY A 34 6.681 -2.934 -15.949 1.00 4.50 C ATOM 500 C GLY A 34 5.976 -4.204 -15.516 1.00 5.42 C ATOM 501 O GLY A 34 6.621 -5.215 -15.238 1.00 15.31 O ATOM 0 H GLY A 34 4.983 -1.707 -15.923 1.00 55.33 H new ATOM 0 HA2 GLY A 34 6.825 -2.953 -17.029 1.00 4.50 H new ATOM 0 HA3 GLY A 34 7.672 -2.900 -15.496 1.00 4.50 H new ATOM 505 N MET A 35 4.650 -4.151 -15.457 1.00 32.44 N ATOM 506 CA MET A 35 3.857 -5.307 -15.053 1.00 62.23 C ATOM 507 C MET A 35 4.030 -6.457 -16.041 1.00 44.41 C ATOM 508 O MET A 35 4.285 -7.594 -15.646 1.00 24.13 O ATOM 509 CB MET A 35 2.379 -4.927 -14.949 1.00 31.40 C ATOM 510 CG MET A 35 2.125 -3.708 -14.078 1.00 51.53 C ATOM 511 SD MET A 35 0.469 -3.029 -14.300 1.00 43.40 S ATOM 512 CE MET A 35 -0.537 -4.398 -13.733 1.00 2.41 C ATOM 0 H MET A 35 4.102 -3.321 -15.683 1.00 32.44 H new ATOM 0 HA MET A 35 4.210 -5.635 -14.075 1.00 62.23 H new ATOM 0 HB2 MET A 35 1.990 -4.736 -15.949 1.00 31.40 H new ATOM 0 HB3 MET A 35 1.822 -5.773 -14.547 1.00 31.40 H new ATOM 0 HG2 MET A 35 2.265 -3.978 -13.031 1.00 51.53 H new ATOM 0 HG3 MET A 35 2.863 -2.940 -14.311 1.00 51.53 H new ATOM 0 HE1 MET A 35 -1.576 -4.079 -13.657 1.00 2.41 H new ATOM 0 HE2 MET A 35 -0.461 -5.223 -14.441 1.00 2.41 H new ATOM 0 HE3 MET A 35 -0.186 -4.727 -12.755 1.00 2.41 H new ATOM 522 N SER A 36 3.890 -6.152 -17.327 1.00 40.03 N ATOM 523 CA SER A 36 4.027 -7.161 -18.371 1.00 50.11 C ATOM 524 C SER A 36 5.359 -7.894 -18.247 1.00 4.31 C ATOM 525 O SER A 36 5.451 -9.091 -18.520 1.00 44.44 O ATOM 526 CB SER A 36 3.915 -6.514 -19.753 1.00 33.00 C ATOM 527 OG SER A 36 2.797 -5.646 -19.820 1.00 51.52 O ATOM 0 H SER A 36 3.682 -5.215 -17.671 1.00 40.03 H new ATOM 0 HA SER A 36 3.221 -7.885 -18.250 1.00 50.11 H new ATOM 0 HB2 SER A 36 4.826 -5.957 -19.972 1.00 33.00 H new ATOM 0 HB3 SER A 36 3.824 -7.289 -20.514 1.00 33.00 H new ATOM 0 HG SER A 36 3.012 -4.878 -20.390 1.00 51.52 H new ATOM 533 N LYS A 37 6.391 -7.166 -17.832 1.00 70.22 N ATOM 534 CA LYS A 37 7.720 -7.745 -17.670 1.00 15.54 C ATOM 535 C LYS A 37 7.729 -8.778 -16.548 1.00 64.30 C ATOM 536 O LYS A 37 8.671 -9.561 -16.419 1.00 71.12 O ATOM 537 CB LYS A 37 8.744 -6.646 -17.374 1.00 73.44 C ATOM 538 CG LYS A 37 8.611 -5.432 -18.277 1.00 14.01 C ATOM 539 CD LYS A 37 8.668 -5.819 -19.745 1.00 71.41 C ATOM 540 CE LYS A 37 9.314 -4.728 -20.585 1.00 23.34 C ATOM 541 NZ LYS A 37 9.400 -5.111 -22.021 1.00 74.02 N ATOM 0 H LYS A 37 6.332 -6.174 -17.602 1.00 70.22 H new ATOM 0 HA LYS A 37 7.989 -8.243 -18.601 1.00 15.54 H new ATOM 0 HB2 LYS A 37 8.636 -6.330 -16.336 1.00 73.44 H new ATOM 0 HB3 LYS A 37 9.748 -7.058 -17.479 1.00 73.44 H new ATOM 0 HG2 LYS A 37 7.668 -4.925 -18.070 1.00 14.01 H new ATOM 0 HG3 LYS A 37 9.409 -4.724 -18.055 1.00 14.01 H new ATOM 0 HD2 LYS A 37 9.230 -6.746 -19.856 1.00 71.41 H new ATOM 0 HD3 LYS A 37 7.660 -6.012 -20.111 1.00 71.41 H new ATOM 0 HE2 LYS A 37 8.739 -3.807 -20.489 1.00 23.34 H new ATOM 0 HE3 LYS A 37 10.314 -4.521 -20.204 1.00 23.34 H new ATOM 0 HZ1 LYS A 37 9.846 -4.341 -22.560 1.00 74.02 H new ATOM 0 HZ2 LYS A 37 9.970 -5.976 -22.116 1.00 74.02 H new ATOM 0 HZ3 LYS A 37 8.444 -5.284 -22.392 1.00 74.02 H new ATOM 555 N LYS A 38 6.675 -8.777 -15.739 1.00 4.20 N ATOM 556 CA LYS A 38 6.560 -9.716 -14.630 1.00 5.04 C ATOM 557 C LYS A 38 5.885 -11.008 -15.078 1.00 41.02 C ATOM 558 O LYS A 38 5.144 -11.023 -16.061 1.00 63.42 O ATOM 559 CB LYS A 38 5.769 -9.086 -13.481 1.00 72.23 C ATOM 560 CG LYS A 38 6.279 -7.716 -13.070 1.00 63.10 C ATOM 561 CD LYS A 38 7.699 -7.788 -12.532 1.00 73.25 C ATOM 562 CE LYS A 38 8.700 -7.213 -13.523 1.00 33.50 C ATOM 563 NZ LYS A 38 10.003 -7.932 -13.475 1.00 31.41 N ATOM 0 H LYS A 38 5.887 -8.135 -15.831 1.00 4.20 H new ATOM 0 HA LYS A 38 7.565 -9.954 -14.283 1.00 5.04 H new ATOM 0 HB2 LYS A 38 4.723 -9.002 -13.775 1.00 72.23 H new ATOM 0 HB3 LYS A 38 5.805 -9.752 -12.619 1.00 72.23 H new ATOM 0 HG2 LYS A 38 6.247 -7.043 -13.927 1.00 63.10 H new ATOM 0 HG3 LYS A 38 5.622 -7.295 -12.309 1.00 63.10 H new ATOM 0 HD2 LYS A 38 7.761 -7.241 -11.591 1.00 73.25 H new ATOM 0 HD3 LYS A 38 7.955 -8.825 -12.315 1.00 73.25 H new ATOM 0 HE2 LYS A 38 8.289 -7.273 -14.531 1.00 33.50 H new ATOM 0 HE3 LYS A 38 8.860 -6.157 -13.306 1.00 33.50 H new ATOM 0 HZ1 LYS A 38 10.658 -7.511 -14.165 1.00 31.41 H new ATOM 0 HZ2 LYS A 38 10.408 -7.853 -12.520 1.00 31.41 H new ATOM 0 HZ3 LYS A 38 9.855 -8.935 -13.707 1.00 31.41 H new ATOM 577 N SER A 39 6.145 -12.090 -14.351 1.00 14.45 N ATOM 578 CA SER A 39 5.563 -13.387 -14.675 1.00 43.14 C ATOM 579 C SER A 39 4.086 -13.430 -14.297 1.00 30.43 C ATOM 580 O SER A 39 3.604 -12.590 -13.537 1.00 75.52 O ATOM 581 CB SER A 39 6.320 -14.504 -13.953 1.00 53.42 C ATOM 582 OG SER A 39 7.582 -14.736 -14.554 1.00 75.45 O ATOM 0 H SER A 39 6.755 -12.094 -13.534 1.00 14.45 H new ATOM 0 HA SER A 39 5.648 -13.537 -15.751 1.00 43.14 H new ATOM 0 HB2 SER A 39 6.456 -14.237 -12.905 1.00 53.42 H new ATOM 0 HB3 SER A 39 5.730 -15.420 -13.974 1.00 53.42 H new ATOM 0 HG SER A 39 8.046 -15.453 -14.073 1.00 75.45 H new ATOM 588 N SER A 40 3.373 -14.416 -14.832 1.00 61.22 N ATOM 589 CA SER A 40 1.950 -14.568 -14.555 1.00 33.45 C ATOM 590 C SER A 40 1.710 -14.825 -13.070 1.00 3.43 C ATOM 591 O SER A 40 0.593 -14.674 -12.575 1.00 23.23 O ATOM 592 CB SER A 40 1.367 -15.716 -15.382 1.00 51.41 C ATOM 593 OG SER A 40 1.123 -16.854 -14.575 1.00 32.34 O ATOM 0 H SER A 40 3.758 -15.122 -15.460 1.00 61.22 H new ATOM 0 HA SER A 40 1.451 -13.639 -14.832 1.00 33.45 H new ATOM 0 HB2 SER A 40 0.438 -15.394 -15.852 1.00 51.41 H new ATOM 0 HB3 SER A 40 2.057 -15.977 -16.185 1.00 51.41 H new ATOM 0 HG SER A 40 0.192 -16.845 -14.270 1.00 32.34 H new ATOM 599 N SER A 41 2.768 -15.213 -12.365 1.00 0.25 N ATOM 600 CA SER A 41 2.674 -15.494 -10.937 1.00 34.12 C ATOM 601 C SER A 41 2.897 -14.227 -10.117 1.00 51.35 C ATOM 602 O SER A 41 2.319 -14.060 -9.044 1.00 22.03 O ATOM 603 CB SER A 41 3.695 -16.560 -10.537 1.00 24.21 C ATOM 604 OG SER A 41 5.012 -16.036 -10.552 1.00 12.11 O ATOM 0 H SER A 41 3.700 -15.340 -12.759 1.00 0.25 H new ATOM 0 HA SER A 41 1.671 -15.867 -10.731 1.00 34.12 H new ATOM 0 HB2 SER A 41 3.461 -16.936 -9.541 1.00 24.21 H new ATOM 0 HB3 SER A 41 3.629 -17.406 -11.221 1.00 24.21 H new ATOM 0 HG SER A 41 5.646 -16.736 -10.291 1.00 12.11 H new ATOM 610 N GLN A 42 3.739 -13.337 -10.633 1.00 61.10 N ATOM 611 CA GLN A 42 4.040 -12.085 -9.949 1.00 53.22 C ATOM 612 C GLN A 42 2.866 -11.115 -10.048 1.00 24.43 C ATOM 613 O GLN A 42 2.631 -10.315 -9.142 1.00 1.23 O ATOM 614 CB GLN A 42 5.297 -11.445 -10.541 1.00 55.13 C ATOM 615 CG GLN A 42 6.587 -11.935 -9.904 1.00 72.45 C ATOM 616 CD GLN A 42 7.770 -11.042 -10.220 1.00 11.51 C ATOM 617 OE1 GLN A 42 8.585 -11.355 -11.088 1.00 3.32 O ATOM 618 NE2 GLN A 42 7.870 -9.921 -9.515 1.00 52.41 N ATOM 0 H GLN A 42 4.224 -13.460 -11.522 1.00 61.10 H new ATOM 0 HA GLN A 42 4.216 -12.308 -8.897 1.00 53.22 H new ATOM 0 HB2 GLN A 42 5.329 -11.650 -11.611 1.00 55.13 H new ATOM 0 HB3 GLN A 42 5.233 -10.363 -10.425 1.00 55.13 H new ATOM 0 HG2 GLN A 42 6.456 -11.989 -8.823 1.00 72.45 H new ATOM 0 HG3 GLN A 42 6.798 -12.947 -10.251 1.00 72.45 H new ATOM 0 HE21 GLN A 42 7.172 -9.701 -8.805 1.00 52.41 H new ATOM 0 HE22 GLN A 42 8.645 -9.280 -9.684 1.00 52.41 H new ATOM 627 N LEU A 43 2.133 -11.192 -11.153 1.00 23.42 N ATOM 628 CA LEU A 43 0.984 -10.321 -11.370 1.00 74.25 C ATOM 629 C LEU A 43 -0.203 -10.763 -10.519 1.00 42.55 C ATOM 630 O LEU A 43 -1.140 -9.996 -10.297 1.00 34.34 O ATOM 631 CB LEU A 43 0.593 -10.320 -12.849 1.00 54.33 C ATOM 632 CG LEU A 43 1.706 -9.970 -13.838 1.00 13.45 C ATOM 633 CD1 LEU A 43 1.476 -10.667 -15.169 1.00 61.13 C ATOM 634 CD2 LEU A 43 1.793 -8.463 -14.031 1.00 12.33 C ATOM 0 H LEU A 43 2.314 -11.849 -11.912 1.00 23.42 H new ATOM 0 HA LEU A 43 1.264 -9.310 -11.073 1.00 74.25 H new ATOM 0 HB2 LEU A 43 0.206 -11.307 -13.103 1.00 54.33 H new ATOM 0 HB3 LEU A 43 -0.224 -9.612 -12.988 1.00 54.33 H new ATOM 0 HG LEU A 43 2.654 -10.319 -13.428 1.00 13.45 H new ATOM 0 HD11 LEU A 43 2.278 -10.406 -15.860 1.00 61.13 H new ATOM 0 HD12 LEU A 43 1.465 -11.746 -15.017 1.00 61.13 H new ATOM 0 HD13 LEU A 43 0.520 -10.349 -15.586 1.00 61.13 H new ATOM 0 HD21 LEU A 43 2.590 -8.232 -14.738 1.00 12.33 H new ATOM 0 HD22 LEU A 43 0.845 -8.091 -14.419 1.00 12.33 H new ATOM 0 HD23 LEU A 43 2.006 -7.985 -13.075 1.00 12.33 H new ATOM 646 N LYS A 44 -0.155 -12.002 -10.044 1.00 63.43 N ATOM 647 CA LYS A 44 -1.223 -12.546 -9.214 1.00 71.23 C ATOM 648 C LYS A 44 -1.234 -11.886 -7.839 1.00 65.03 C ATOM 649 O LYS A 44 -2.275 -11.803 -7.189 1.00 40.44 O ATOM 650 CB LYS A 44 -1.059 -14.060 -9.064 1.00 33.35 C ATOM 651 CG LYS A 44 -1.815 -14.861 -10.110 1.00 63.01 C ATOM 652 CD LYS A 44 -2.213 -16.230 -9.584 1.00 52.14 C ATOM 653 CE LYS A 44 -1.130 -17.265 -9.848 1.00 13.12 C ATOM 654 NZ LYS A 44 -0.088 -17.260 -8.784 1.00 71.41 N ATOM 0 H LYS A 44 0.613 -12.650 -10.220 1.00 63.43 H new ATOM 0 HA LYS A 44 -2.173 -12.337 -9.705 1.00 71.23 H new ATOM 0 HB2 LYS A 44 0.000 -14.310 -9.123 1.00 33.35 H new ATOM 0 HB3 LYS A 44 -1.402 -14.358 -8.073 1.00 33.35 H new ATOM 0 HG2 LYS A 44 -2.707 -14.314 -10.414 1.00 63.01 H new ATOM 0 HG3 LYS A 44 -1.195 -14.978 -10.999 1.00 63.01 H new ATOM 0 HD2 LYS A 44 -2.405 -16.168 -8.513 1.00 52.14 H new ATOM 0 HD3 LYS A 44 -3.143 -16.546 -10.057 1.00 52.14 H new ATOM 0 HE2 LYS A 44 -1.581 -18.255 -9.910 1.00 13.12 H new ATOM 0 HE3 LYS A 44 -0.665 -17.066 -10.813 1.00 13.12 H new ATOM 0 HZ1 LYS A 44 0.853 -17.178 -9.220 1.00 71.41 H new ATOM 0 HZ2 LYS A 44 -0.246 -16.453 -8.147 1.00 71.41 H new ATOM 0 HZ3 LYS A 44 -0.142 -18.146 -8.241 1.00 71.41 H new ATOM 668 N GLU A 45 -0.068 -11.418 -7.404 1.00 11.52 N ATOM 669 CA GLU A 45 0.055 -10.764 -6.106 1.00 71.10 C ATOM 670 C GLU A 45 -0.794 -9.497 -6.052 1.00 61.12 C ATOM 671 O GLU A 45 -1.521 -9.266 -5.086 1.00 55.51 O ATOM 672 CB GLU A 45 1.519 -10.423 -5.818 1.00 74.25 C ATOM 673 CG GLU A 45 2.382 -11.640 -5.534 1.00 65.41 C ATOM 674 CD GLU A 45 1.777 -12.553 -4.486 1.00 20.53 C ATOM 675 OE1 GLU A 45 1.838 -12.205 -3.288 1.00 65.41 O ATOM 676 OE2 GLU A 45 1.241 -13.616 -4.864 1.00 22.43 O ATOM 0 H GLU A 45 0.804 -11.479 -7.930 1.00 11.52 H new ATOM 0 HA GLU A 45 -0.306 -11.455 -5.344 1.00 71.10 H new ATOM 0 HB2 GLU A 45 1.933 -9.886 -6.671 1.00 74.25 H new ATOM 0 HB3 GLU A 45 1.565 -9.748 -4.963 1.00 74.25 H new ATOM 0 HG2 GLU A 45 2.528 -12.200 -6.457 1.00 65.41 H new ATOM 0 HG3 GLU A 45 3.367 -11.313 -5.200 1.00 65.41 H new ATOM 683 N ILE A 46 -0.694 -8.681 -7.096 1.00 14.32 N ATOM 684 CA ILE A 46 -1.453 -7.438 -7.168 1.00 3.01 C ATOM 685 C ILE A 46 -2.952 -7.703 -7.078 1.00 42.34 C ATOM 686 O ILE A 46 -3.712 -6.870 -6.584 1.00 42.32 O ATOM 687 CB ILE A 46 -1.155 -6.672 -8.470 1.00 40.42 C ATOM 688 CG1 ILE A 46 0.347 -6.413 -8.603 1.00 62.04 C ATOM 689 CG2 ILE A 46 -1.928 -5.362 -8.503 1.00 13.25 C ATOM 690 CD1 ILE A 46 0.924 -6.869 -9.926 1.00 12.34 C ATOM 0 H ILE A 46 -0.096 -8.858 -7.903 1.00 14.32 H new ATOM 0 HA ILE A 46 -1.143 -6.829 -6.319 1.00 3.01 H new ATOM 0 HB ILE A 46 -1.476 -7.282 -9.314 1.00 40.42 H new ATOM 0 HG12 ILE A 46 0.536 -5.346 -8.482 1.00 62.04 H new ATOM 0 HG13 ILE A 46 0.869 -6.923 -7.793 1.00 62.04 H new ATOM 0 HG21 ILE A 46 -1.707 -4.832 -9.430 1.00 13.25 H new ATOM 0 HG22 ILE A 46 -2.997 -5.569 -8.450 1.00 13.25 H new ATOM 0 HG23 ILE A 46 -1.635 -4.745 -7.653 1.00 13.25 H new ATOM 0 HD11 ILE A 46 1.992 -6.654 -9.950 1.00 12.34 H new ATOM 0 HD12 ILE A 46 0.767 -7.941 -10.041 1.00 12.34 H new ATOM 0 HD13 ILE A 46 0.429 -6.340 -10.740 1.00 12.34 H new ATOM 702 N PHE A 47 -3.371 -8.869 -7.558 1.00 63.02 N ATOM 703 CA PHE A 47 -4.779 -9.245 -7.532 1.00 15.11 C ATOM 704 C PHE A 47 -5.269 -9.420 -6.097 1.00 62.52 C ATOM 705 O PHE A 47 -6.462 -9.299 -5.818 1.00 24.52 O ATOM 706 CB PHE A 47 -4.999 -10.538 -8.319 1.00 61.34 C ATOM 707 CG PHE A 47 -6.107 -11.392 -7.773 1.00 23.55 C ATOM 708 CD1 PHE A 47 -5.862 -12.298 -6.753 1.00 72.30 C ATOM 709 CD2 PHE A 47 -7.393 -11.290 -8.278 1.00 44.14 C ATOM 710 CE1 PHE A 47 -6.879 -13.086 -6.247 1.00 55.42 C ATOM 711 CE2 PHE A 47 -8.414 -12.074 -7.776 1.00 62.23 C ATOM 712 CZ PHE A 47 -8.157 -12.974 -6.760 1.00 62.04 C ATOM 0 H PHE A 47 -2.755 -9.570 -7.970 1.00 63.02 H new ATOM 0 HA PHE A 47 -5.352 -8.443 -7.998 1.00 15.11 H new ATOM 0 HB2 PHE A 47 -5.221 -10.289 -9.357 1.00 61.34 H new ATOM 0 HB3 PHE A 47 -4.074 -11.115 -8.321 1.00 61.34 H new ATOM 0 HD1 PHE A 47 -4.865 -12.389 -6.349 1.00 72.30 H new ATOM 0 HD2 PHE A 47 -7.600 -10.589 -9.073 1.00 44.14 H new ATOM 0 HE1 PHE A 47 -6.675 -13.788 -5.452 1.00 55.42 H new ATOM 0 HE2 PHE A 47 -9.412 -11.983 -8.178 1.00 62.23 H new ATOM 0 HZ PHE A 47 -8.953 -13.589 -6.367 1.00 62.04 H new ATOM 722 N ARG A 48 -4.339 -9.707 -5.192 1.00 62.01 N ATOM 723 CA ARG A 48 -4.675 -9.901 -3.787 1.00 24.32 C ATOM 724 C ARG A 48 -4.917 -8.563 -3.096 1.00 12.33 C ATOM 725 O ARG A 48 -5.274 -8.517 -1.918 1.00 41.20 O ATOM 726 CB ARG A 48 -3.554 -10.660 -3.073 1.00 34.20 C ATOM 727 CG ARG A 48 -4.017 -11.947 -2.409 1.00 14.30 C ATOM 728 CD ARG A 48 -4.953 -11.667 -1.244 1.00 12.55 C ATOM 729 NE ARG A 48 -4.238 -11.596 0.028 1.00 71.31 N ATOM 730 CZ ARG A 48 -4.711 -10.977 1.104 1.00 60.02 C ATOM 731 NH1 ARG A 48 -5.893 -10.378 1.062 1.00 31.21 N ATOM 732 NH2 ARG A 48 -4.001 -10.956 2.225 1.00 71.53 N ATOM 0 H ARG A 48 -3.347 -9.810 -5.407 1.00 62.01 H new ATOM 0 HA ARG A 48 -5.592 -10.488 -3.736 1.00 24.32 H new ATOM 0 HB2 ARG A 48 -2.770 -10.894 -3.793 1.00 34.20 H new ATOM 0 HB3 ARG A 48 -3.111 -10.011 -2.318 1.00 34.20 H new ATOM 0 HG2 ARG A 48 -4.524 -12.574 -3.142 1.00 14.30 H new ATOM 0 HG3 ARG A 48 -3.151 -12.507 -2.055 1.00 14.30 H new ATOM 0 HD2 ARG A 48 -5.477 -10.727 -1.418 1.00 12.55 H new ATOM 0 HD3 ARG A 48 -5.710 -12.449 -1.191 1.00 12.55 H new ATOM 0 HE ARG A 48 -3.325 -12.047 0.094 1.00 71.31 H new ATOM 0 HH11 ARG A 48 -6.441 -10.392 0.202 1.00 31.21 H new ATOM 0 HH12 ARG A 48 -6.254 -9.903 1.890 1.00 31.21 H new ATOM 0 HH21 ARG A 48 -3.091 -11.415 2.261 1.00 71.53 H new ATOM 0 HH22 ARG A 48 -4.365 -10.480 3.051 1.00 71.53 H new ATOM 746 N ILE A 49 -4.721 -7.477 -3.836 1.00 1.44 N ATOM 747 CA ILE A 49 -4.919 -6.138 -3.294 1.00 40.11 C ATOM 748 C ILE A 49 -6.157 -5.480 -3.894 1.00 1.10 C ATOM 749 O ILE A 49 -6.651 -4.475 -3.380 1.00 24.44 O ATOM 750 CB ILE A 49 -3.696 -5.239 -3.555 1.00 11.44 C ATOM 751 CG1 ILE A 49 -2.410 -5.957 -3.142 1.00 30.33 C ATOM 752 CG2 ILE A 49 -3.838 -3.922 -2.805 1.00 64.14 C ATOM 753 CD1 ILE A 49 -2.333 -6.255 -1.661 1.00 1.24 C ATOM 0 H ILE A 49 -4.425 -7.498 -4.812 1.00 1.44 H new ATOM 0 HA ILE A 49 -5.055 -6.249 -2.218 1.00 40.11 H new ATOM 0 HB ILE A 49 -3.643 -5.024 -4.622 1.00 11.44 H new ATOM 0 HG12 ILE A 49 -2.331 -6.892 -3.697 1.00 30.33 H new ATOM 0 HG13 ILE A 49 -1.554 -5.345 -3.426 1.00 30.33 H new ATOM 0 HG21 ILE A 49 -2.966 -3.297 -2.999 1.00 64.14 H new ATOM 0 HG22 ILE A 49 -4.737 -3.406 -3.143 1.00 64.14 H new ATOM 0 HG23 ILE A 49 -3.913 -4.119 -1.735 1.00 64.14 H new ATOM 0 HD11 ILE A 49 -1.395 -6.765 -1.441 1.00 1.24 H new ATOM 0 HD12 ILE A 49 -2.380 -5.322 -1.099 1.00 1.24 H new ATOM 0 HD13 ILE A 49 -3.169 -6.893 -1.374 1.00 1.24 H new ATOM 765 N LEU A 50 -6.655 -6.053 -4.984 1.00 33.12 N ATOM 766 CA LEU A 50 -7.838 -5.524 -5.654 1.00 11.31 C ATOM 767 C LEU A 50 -9.108 -6.171 -5.110 1.00 64.44 C ATOM 768 O LEU A 50 -10.188 -5.585 -5.166 1.00 62.41 O ATOM 769 CB LEU A 50 -7.740 -5.755 -7.163 1.00 2.32 C ATOM 770 CG LEU A 50 -6.958 -4.705 -7.953 1.00 43.01 C ATOM 771 CD1 LEU A 50 -5.469 -5.013 -7.921 1.00 43.32 C ATOM 772 CD2 LEU A 50 -7.459 -4.635 -9.388 1.00 51.11 C ATOM 0 H LEU A 50 -6.258 -6.884 -5.423 1.00 33.12 H new ATOM 0 HA LEU A 50 -7.887 -4.453 -5.459 1.00 11.31 H new ATOM 0 HB2 LEU A 50 -7.277 -6.727 -7.332 1.00 2.32 H new ATOM 0 HB3 LEU A 50 -8.750 -5.808 -7.569 1.00 2.32 H new ATOM 0 HG LEU A 50 -7.117 -3.733 -7.486 1.00 43.01 H new ATOM 0 HD11 LEU A 50 -4.928 -4.255 -8.488 1.00 43.32 H new ATOM 0 HD12 LEU A 50 -5.119 -5.012 -6.889 1.00 43.32 H new ATOM 0 HD13 LEU A 50 -5.291 -5.993 -8.363 1.00 43.32 H new ATOM 0 HD21 LEU A 50 -6.891 -3.883 -9.935 1.00 51.11 H new ATOM 0 HD22 LEU A 50 -7.330 -5.606 -9.866 1.00 51.11 H new ATOM 0 HD23 LEU A 50 -8.515 -4.366 -9.392 1.00 51.11 H new ATOM 784 N ASP A 51 -8.968 -7.383 -4.583 1.00 33.40 N ATOM 785 CA ASP A 51 -10.104 -8.110 -4.027 1.00 60.34 C ATOM 786 C ASP A 51 -10.575 -7.471 -2.725 1.00 4.33 C ATOM 787 O ASP A 51 -9.830 -7.409 -1.747 1.00 71.23 O ATOM 788 CB ASP A 51 -9.730 -9.574 -3.784 1.00 3.20 C ATOM 789 CG ASP A 51 -10.914 -10.506 -3.941 1.00 1.21 C ATOM 790 OD1 ASP A 51 -12.103 -9.934 -4.095 1.00 25.03 O ATOM 791 OD2 ASP A 51 -10.762 -11.728 -3.925 1.00 11.42 O ATOM 0 H ASP A 51 -8.080 -7.882 -4.529 1.00 33.40 H new ATOM 0 HA ASP A 51 -10.920 -8.065 -4.748 1.00 60.34 H new ATOM 0 HB2 ASP A 51 -8.946 -9.867 -4.482 1.00 3.20 H new ATOM 0 HB3 ASP A 51 -9.319 -9.679 -2.780 1.00 3.20 H new ATOM 796 N ASN A 52 -11.816 -6.996 -2.720 1.00 31.35 N ATOM 797 CA ASN A 52 -12.387 -6.361 -1.537 1.00 62.21 C ATOM 798 C ASN A 52 -13.342 -7.309 -0.818 1.00 53.13 C ATOM 799 O ASN A 52 -13.956 -6.945 0.185 1.00 55.34 O ATOM 800 CB ASN A 52 -13.121 -5.077 -1.927 1.00 15.02 C ATOM 801 CG ASN A 52 -12.355 -3.830 -1.532 1.00 2.32 C ATOM 802 OD1 ASN A 52 -12.841 -3.009 -0.753 1.00 61.32 O ATOM 803 ND2 ASN A 52 -11.149 -3.681 -2.069 1.00 33.42 N ATOM 0 H ASN A 52 -12.446 -7.039 -3.521 1.00 31.35 H new ATOM 0 HA ASN A 52 -11.571 -6.113 -0.858 1.00 62.21 H new ATOM 0 HB2 ASN A 52 -13.289 -5.071 -3.004 1.00 15.02 H new ATOM 0 HB3 ASN A 52 -14.102 -5.064 -1.451 1.00 15.02 H new ATOM 0 HD21 ASN A 52 -10.587 -2.861 -1.840 1.00 33.42 H new ATOM 0 HD22 ASN A 52 -10.785 -4.386 -2.710 1.00 33.42 H new ATOM 810 N ASP A 53 -13.462 -8.526 -1.338 1.00 2.33 N ATOM 811 CA ASP A 53 -14.341 -9.527 -0.745 1.00 1.00 C ATOM 812 C ASP A 53 -13.651 -10.886 -0.681 1.00 31.13 C ATOM 813 O ASP A 53 -14.239 -11.870 -0.233 1.00 11.12 O ATOM 814 CB ASP A 53 -15.638 -9.637 -1.548 1.00 31.11 C ATOM 815 CG ASP A 53 -15.694 -8.649 -2.696 1.00 42.22 C ATOM 816 OD1 ASP A 53 -15.692 -7.429 -2.429 1.00 74.13 O ATOM 817 OD2 ASP A 53 -15.740 -9.095 -3.862 1.00 23.21 O ATOM 0 H ASP A 53 -12.962 -8.843 -2.169 1.00 2.33 H new ATOM 0 HA ASP A 53 -14.578 -9.211 0.271 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -15.735 -10.650 -1.939 1.00 31.11 H new ATOM 0 HB3 ASP A 53 -16.487 -9.468 -0.886 1.00 31.11 H new ATOM 822 N GLN A 54 -12.402 -10.932 -1.132 1.00 42.22 N ATOM 823 CA GLN A 54 -11.633 -12.171 -1.127 1.00 53.13 C ATOM 824 C GLN A 54 -12.416 -13.300 -1.791 1.00 3.53 C ATOM 825 O GLN A 54 -12.149 -14.477 -1.551 1.00 72.12 O ATOM 826 CB GLN A 54 -11.266 -12.562 0.305 1.00 20.41 C ATOM 827 CG GLN A 54 -10.874 -11.381 1.177 1.00 3.41 C ATOM 828 CD GLN A 54 -9.507 -10.825 0.827 1.00 30.54 C ATOM 829 OE1 GLN A 54 -8.483 -11.465 1.071 1.00 35.13 O ATOM 830 NE2 GLN A 54 -9.483 -9.629 0.252 1.00 13.13 N ATOM 0 H GLN A 54 -11.901 -10.126 -1.505 1.00 42.22 H new ATOM 0 HA GLN A 54 -10.718 -12.004 -1.696 1.00 53.13 H new ATOM 0 HB2 GLN A 54 -12.113 -13.074 0.761 1.00 20.41 H new ATOM 0 HB3 GLN A 54 -10.440 -13.273 0.278 1.00 20.41 H new ATOM 0 HG2 GLN A 54 -11.620 -10.593 1.072 1.00 3.41 H new ATOM 0 HG3 GLN A 54 -10.880 -11.689 2.223 1.00 3.41 H new ATOM 0 HE21 GLN A 54 -10.356 -9.134 0.068 1.00 13.13 H new ATOM 0 HE22 GLN A 54 -8.592 -9.205 -0.006 1.00 13.13 H new ATOM 839 N SER A 55 -13.383 -12.932 -2.625 1.00 42.41 N ATOM 840 CA SER A 55 -14.207 -13.913 -3.320 1.00 72.31 C ATOM 841 C SER A 55 -13.402 -14.634 -4.397 1.00 60.01 C ATOM 842 O SER A 55 -13.797 -15.696 -4.877 1.00 4.12 O ATOM 843 CB SER A 55 -15.426 -13.234 -3.947 1.00 72.34 C ATOM 844 OG SER A 55 -15.095 -11.948 -4.442 1.00 73.43 O ATOM 0 H SER A 55 -13.615 -11.961 -2.836 1.00 42.41 H new ATOM 0 HA SER A 55 -14.545 -14.649 -2.590 1.00 72.31 H new ATOM 0 HB2 SER A 55 -15.813 -13.851 -4.758 1.00 72.34 H new ATOM 0 HB3 SER A 55 -16.220 -13.148 -3.205 1.00 72.34 H new ATOM 0 HG SER A 55 -15.649 -11.273 -3.996 1.00 73.43 H new ATOM 850 N GLY A 56 -12.269 -14.047 -4.773 1.00 33.34 N ATOM 851 CA GLY A 56 -11.426 -14.646 -5.790 1.00 64.21 C ATOM 852 C GLY A 56 -11.418 -13.849 -7.079 1.00 64.25 C ATOM 853 O GLY A 56 -10.560 -14.053 -7.939 1.00 21.42 O ATOM 0 H GLY A 56 -11.921 -13.168 -4.391 1.00 33.34 H new ATOM 0 HA2 GLY A 56 -10.407 -14.728 -5.411 1.00 64.21 H new ATOM 0 HA3 GLY A 56 -11.773 -15.659 -5.995 1.00 64.21 H new ATOM 857 N PHE A 57 -12.376 -12.939 -7.217 1.00 33.23 N ATOM 858 CA PHE A 57 -12.478 -12.110 -8.412 1.00 71.31 C ATOM 859 C PHE A 57 -12.623 -10.637 -8.042 1.00 34.23 C ATOM 860 O PHE A 57 -12.960 -10.302 -6.906 1.00 32.34 O ATOM 861 CB PHE A 57 -13.668 -12.553 -9.266 1.00 14.05 C ATOM 862 CG PHE A 57 -13.748 -14.040 -9.458 1.00 21.52 C ATOM 863 CD1 PHE A 57 -14.348 -14.845 -8.503 1.00 14.33 C ATOM 864 CD2 PHE A 57 -13.222 -14.635 -10.594 1.00 4.44 C ATOM 865 CE1 PHE A 57 -14.424 -16.214 -8.677 1.00 5.13 C ATOM 866 CE2 PHE A 57 -13.294 -16.003 -10.773 1.00 52.02 C ATOM 867 CZ PHE A 57 -13.895 -16.794 -9.813 1.00 43.21 C ATOM 0 H PHE A 57 -13.094 -12.757 -6.515 1.00 33.23 H new ATOM 0 HA PHE A 57 -11.561 -12.233 -8.988 1.00 71.31 H new ATOM 0 HB2 PHE A 57 -14.589 -12.205 -8.799 1.00 14.05 H new ATOM 0 HB3 PHE A 57 -13.604 -12.072 -10.242 1.00 14.05 H new ATOM 0 HD1 PHE A 57 -14.761 -14.397 -7.611 1.00 14.33 H new ATOM 0 HD2 PHE A 57 -12.750 -14.022 -11.348 1.00 4.44 H new ATOM 0 HE1 PHE A 57 -14.896 -16.829 -7.926 1.00 5.13 H new ATOM 0 HE2 PHE A 57 -12.881 -16.454 -11.663 1.00 52.02 H new ATOM 0 HZ PHE A 57 -13.951 -17.864 -9.951 1.00 43.21 H new ATOM 877 N ILE A 58 -12.366 -9.762 -9.008 1.00 74.32 N ATOM 878 CA ILE A 58 -12.469 -8.326 -8.784 1.00 42.44 C ATOM 879 C ILE A 58 -13.540 -7.706 -9.675 1.00 14.44 C ATOM 880 O ILE A 58 -13.322 -7.490 -10.866 1.00 40.41 O ATOM 881 CB ILE A 58 -11.126 -7.618 -9.047 1.00 54.21 C ATOM 882 CG1 ILE A 58 -10.031 -8.207 -8.155 1.00 53.34 C ATOM 883 CG2 ILE A 58 -11.262 -6.121 -8.811 1.00 23.02 C ATOM 884 CD1 ILE A 58 -8.673 -8.256 -8.819 1.00 50.12 C ATOM 0 H ILE A 58 -12.085 -10.023 -9.953 1.00 74.32 H new ATOM 0 HA ILE A 58 -12.745 -8.189 -7.739 1.00 42.44 H new ATOM 0 HB ILE A 58 -10.845 -7.778 -10.088 1.00 54.21 H new ATOM 0 HG12 ILE A 58 -9.959 -7.615 -7.243 1.00 53.34 H new ATOM 0 HG13 ILE A 58 -10.318 -9.216 -7.859 1.00 53.34 H new ATOM 0 HG21 ILE A 58 -10.305 -5.634 -9.001 1.00 23.02 H new ATOM 0 HG22 ILE A 58 -12.016 -5.714 -9.484 1.00 23.02 H new ATOM 0 HG23 ILE A 58 -11.562 -5.941 -7.779 1.00 23.02 H new ATOM 0 HD11 ILE A 58 -7.946 -8.685 -8.129 1.00 50.12 H new ATOM 0 HD12 ILE A 58 -8.729 -8.872 -9.716 1.00 50.12 H new ATOM 0 HD13 ILE A 58 -8.364 -7.247 -9.091 1.00 50.12 H new ATOM 896 N GLU A 59 -14.698 -7.420 -9.087 1.00 31.32 N ATOM 897 CA GLU A 59 -15.803 -6.824 -9.827 1.00 55.34 C ATOM 898 C GLU A 59 -15.555 -5.338 -10.073 1.00 20.21 C ATOM 899 O GLU A 59 -14.687 -4.732 -9.446 1.00 21.23 O ATOM 900 CB GLU A 59 -17.117 -7.013 -9.067 1.00 35.33 C ATOM 901 CG GLU A 59 -17.319 -8.425 -8.543 1.00 31.14 C ATOM 902 CD GLU A 59 -16.815 -8.598 -7.123 1.00 64.01 C ATOM 903 OE1 GLU A 59 -17.466 -8.077 -6.194 1.00 4.22 O ATOM 904 OE2 GLU A 59 -15.768 -9.255 -6.942 1.00 71.40 O ATOM 0 H GLU A 59 -14.894 -7.592 -8.101 1.00 31.32 H new ATOM 0 HA GLU A 59 -15.874 -7.328 -10.791 1.00 55.34 H new ATOM 0 HB2 GLU A 59 -17.146 -6.316 -8.229 1.00 35.33 H new ATOM 0 HB3 GLU A 59 -17.948 -6.756 -9.725 1.00 35.33 H new ATOM 0 HG2 GLU A 59 -18.379 -8.674 -8.581 1.00 31.14 H new ATOM 0 HG3 GLU A 59 -16.802 -9.128 -9.196 1.00 31.14 H new ATOM 911 N GLU A 60 -16.323 -4.759 -10.990 1.00 75.33 N ATOM 912 CA GLU A 60 -16.186 -3.345 -11.320 1.00 25.54 C ATOM 913 C GLU A 60 -16.275 -2.483 -10.064 1.00 34.01 C ATOM 914 O GLU A 60 -15.694 -1.400 -9.999 1.00 51.31 O ATOM 915 CB GLU A 60 -17.265 -2.924 -12.319 1.00 63.23 C ATOM 916 CG GLU A 60 -16.998 -3.397 -13.738 1.00 44.14 C ATOM 917 CD GLU A 60 -18.267 -3.529 -14.558 1.00 23.23 C ATOM 918 OE1 GLU A 60 -18.818 -2.488 -14.971 1.00 51.00 O ATOM 919 OE2 GLU A 60 -18.708 -4.675 -14.786 1.00 31.13 O ATOM 0 H GLU A 60 -17.047 -5.247 -11.518 1.00 75.33 H new ATOM 0 HA GLU A 60 -15.206 -3.197 -11.773 1.00 25.54 H new ATOM 0 HB2 GLU A 60 -18.227 -3.316 -11.989 1.00 63.23 H new ATOM 0 HB3 GLU A 60 -17.346 -1.837 -12.317 1.00 63.23 H new ATOM 0 HG2 GLU A 60 -16.324 -2.696 -14.230 1.00 44.14 H new ATOM 0 HG3 GLU A 60 -16.489 -4.360 -13.706 1.00 44.14 H new ATOM 926 N ASP A 61 -17.008 -2.971 -9.069 1.00 70.53 N ATOM 927 CA ASP A 61 -17.174 -2.247 -7.815 1.00 15.32 C ATOM 928 C ASP A 61 -15.841 -2.104 -7.088 1.00 64.25 C ATOM 929 O ASP A 61 -15.658 -1.194 -6.281 1.00 23.44 O ATOM 930 CB ASP A 61 -18.184 -2.964 -6.917 1.00 51.41 C ATOM 931 CG ASP A 61 -19.615 -2.562 -7.219 1.00 64.30 C ATOM 932 OD1 ASP A 61 -20.001 -2.593 -8.406 1.00 31.41 O ATOM 933 OD2 ASP A 61 -20.347 -2.216 -6.269 1.00 33.15 O ATOM 0 H ASP A 61 -17.497 -3.865 -9.107 1.00 70.53 H new ATOM 0 HA ASP A 61 -17.549 -1.250 -8.047 1.00 15.32 H new ATOM 0 HB2 ASP A 61 -18.078 -4.041 -7.044 1.00 51.41 H new ATOM 0 HB3 ASP A 61 -17.960 -2.742 -5.874 1.00 51.41 H new ATOM 938 N GLU A 62 -14.913 -3.010 -7.382 1.00 30.34 N ATOM 939 CA GLU A 62 -13.597 -2.986 -6.754 1.00 41.34 C ATOM 940 C GLU A 62 -12.513 -2.653 -7.776 1.00 73.22 C ATOM 941 O GLU A 62 -11.381 -2.329 -7.415 1.00 32.45 O ATOM 942 CB GLU A 62 -13.296 -4.334 -6.096 1.00 1.31 C ATOM 943 CG GLU A 62 -14.008 -5.504 -6.753 1.00 23.42 C ATOM 944 CD GLU A 62 -13.938 -6.771 -5.921 1.00 43.45 C ATOM 945 OE1 GLU A 62 -12.816 -7.270 -5.694 1.00 32.23 O ATOM 946 OE2 GLU A 62 -15.005 -7.262 -5.498 1.00 53.35 O ATOM 0 H GLU A 62 -15.048 -3.769 -8.050 1.00 30.34 H new ATOM 0 HA GLU A 62 -13.602 -2.210 -5.989 1.00 41.34 H new ATOM 0 HB2 GLU A 62 -12.221 -4.511 -6.125 1.00 1.31 H new ATOM 0 HB3 GLU A 62 -13.583 -4.288 -5.046 1.00 1.31 H new ATOM 0 HG2 GLU A 62 -15.052 -5.241 -6.921 1.00 23.42 H new ATOM 0 HG3 GLU A 62 -13.565 -5.691 -7.731 1.00 23.42 H new ATOM 953 N LEU A 63 -12.868 -2.736 -9.054 1.00 21.13 N ATOM 954 CA LEU A 63 -11.927 -2.445 -10.129 1.00 44.24 C ATOM 955 C LEU A 63 -11.737 -0.940 -10.295 1.00 31.34 C ATOM 956 O LEU A 63 -10.688 -0.482 -10.748 1.00 54.41 O ATOM 957 CB LEU A 63 -12.418 -3.056 -11.443 1.00 1.30 C ATOM 958 CG LEU A 63 -11.349 -3.703 -12.323 1.00 64.24 C ATOM 959 CD1 LEU A 63 -11.964 -4.232 -13.609 1.00 74.34 C ATOM 960 CD2 LEU A 63 -10.238 -2.710 -12.631 1.00 42.32 C ATOM 0 H LEU A 63 -13.800 -3.002 -9.370 1.00 21.13 H new ATOM 0 HA LEU A 63 -10.966 -2.887 -9.866 1.00 44.24 H new ATOM 0 HB2 LEU A 63 -13.173 -3.807 -11.211 1.00 1.30 H new ATOM 0 HB3 LEU A 63 -12.912 -2.275 -12.021 1.00 1.30 H new ATOM 0 HG LEU A 63 -10.918 -4.543 -11.778 1.00 64.24 H new ATOM 0 HD11 LEU A 63 -11.188 -4.689 -14.223 1.00 74.34 H new ATOM 0 HD12 LEU A 63 -12.723 -4.977 -13.370 1.00 74.34 H new ATOM 0 HD13 LEU A 63 -12.423 -3.410 -14.158 1.00 74.34 H new ATOM 0 HD21 LEU A 63 -9.486 -3.188 -13.258 1.00 42.32 H new ATOM 0 HD22 LEU A 63 -10.654 -1.850 -13.155 1.00 42.32 H new ATOM 0 HD23 LEU A 63 -9.777 -2.380 -11.700 1.00 42.32 H new ATOM 972 N LYS A 64 -12.758 -0.176 -9.922 1.00 31.24 N ATOM 973 CA LYS A 64 -12.704 1.277 -10.024 1.00 52.35 C ATOM 974 C LYS A 64 -11.627 1.848 -9.107 1.00 55.11 C ATOM 975 O LYS A 64 -11.273 3.023 -9.206 1.00 12.11 O ATOM 976 CB LYS A 64 -14.064 1.885 -9.672 1.00 61.22 C ATOM 977 CG LYS A 64 -14.688 1.295 -8.419 1.00 64.44 C ATOM 978 CD LYS A 64 -15.372 2.361 -7.582 1.00 14.53 C ATOM 979 CE LYS A 64 -16.658 2.844 -8.236 1.00 31.31 C ATOM 980 NZ LYS A 64 -17.647 3.321 -7.230 1.00 41.30 N ATOM 0 H LYS A 64 -13.634 -0.540 -9.546 1.00 31.24 H new ATOM 0 HA LYS A 64 -12.453 1.534 -11.053 1.00 52.35 H new ATOM 0 HB2 LYS A 64 -13.948 2.961 -9.538 1.00 61.22 H new ATOM 0 HB3 LYS A 64 -14.745 1.740 -10.510 1.00 61.22 H new ATOM 0 HG2 LYS A 64 -15.412 0.530 -8.698 1.00 64.44 H new ATOM 0 HG3 LYS A 64 -13.918 0.803 -7.825 1.00 64.44 H new ATOM 0 HD2 LYS A 64 -15.594 1.961 -6.592 1.00 14.53 H new ATOM 0 HD3 LYS A 64 -14.695 3.204 -7.441 1.00 14.53 H new ATOM 0 HE2 LYS A 64 -16.430 3.651 -8.932 1.00 31.31 H new ATOM 0 HE3 LYS A 64 -17.095 2.034 -8.819 1.00 31.31 H new ATOM 0 HZ1 LYS A 64 -18.509 3.641 -7.716 1.00 41.30 H new ATOM 0 HZ2 LYS A 64 -17.884 2.544 -6.581 1.00 41.30 H new ATOM 0 HZ3 LYS A 64 -17.240 4.111 -6.690 1.00 41.30 H new ATOM 994 N TYR A 65 -11.110 1.009 -8.217 1.00 10.24 N ATOM 995 CA TYR A 65 -10.074 1.431 -7.281 1.00 72.02 C ATOM 996 C TYR A 65 -8.689 1.047 -7.793 1.00 31.14 C ATOM 997 O TYR A 65 -7.738 0.934 -7.019 1.00 41.20 O ATOM 998 CB TYR A 65 -10.314 0.805 -5.906 1.00 41.31 C ATOM 999 CG TYR A 65 -11.448 1.446 -5.139 1.00 0.34 C ATOM 1000 CD1 TYR A 65 -11.580 2.828 -5.081 1.00 3.42 C ATOM 1001 CD2 TYR A 65 -12.387 0.670 -4.471 1.00 10.45 C ATOM 1002 CE1 TYR A 65 -12.614 3.419 -4.380 1.00 62.32 C ATOM 1003 CE2 TYR A 65 -13.425 1.252 -3.769 1.00 31.12 C ATOM 1004 CZ TYR A 65 -13.534 2.626 -3.726 1.00 51.34 C ATOM 1005 OH TYR A 65 -14.566 3.209 -3.027 1.00 40.43 O ATOM 0 H TYR A 65 -11.391 0.033 -8.124 1.00 10.24 H new ATOM 0 HA TYR A 65 -10.120 2.516 -7.191 1.00 72.02 H new ATOM 0 HB2 TYR A 65 -10.526 -0.257 -6.031 1.00 41.31 H new ATOM 0 HB3 TYR A 65 -9.400 0.880 -5.317 1.00 41.31 H new ATOM 0 HD1 TYR A 65 -10.862 3.451 -5.593 1.00 3.42 H new ATOM 0 HD2 TYR A 65 -12.304 -0.406 -4.501 1.00 10.45 H new ATOM 0 HE1 TYR A 65 -12.701 4.495 -4.344 1.00 62.32 H new ATOM 0 HE2 TYR A 65 -14.147 0.634 -3.257 1.00 31.12 H new ATOM 0 HH TYR A 65 -15.125 2.511 -2.626 1.00 40.43 H new ATOM 1015 N PHE A 66 -8.583 0.848 -9.102 1.00 75.52 N ATOM 1016 CA PHE A 66 -7.316 0.476 -9.719 1.00 65.32 C ATOM 1017 C PHE A 66 -6.232 1.500 -9.396 1.00 11.35 C ATOM 1018 O PHE A 66 -5.042 1.181 -9.386 1.00 34.01 O ATOM 1019 CB PHE A 66 -7.479 0.351 -11.235 1.00 41.24 C ATOM 1020 CG PHE A 66 -6.174 0.267 -11.974 1.00 62.20 C ATOM 1021 CD1 PHE A 66 -5.375 -0.861 -11.870 1.00 54.21 C ATOM 1022 CD2 PHE A 66 -5.745 1.315 -12.772 1.00 12.41 C ATOM 1023 CE1 PHE A 66 -4.174 -0.942 -12.549 1.00 10.22 C ATOM 1024 CE2 PHE A 66 -4.545 1.240 -13.453 1.00 71.12 C ATOM 1025 CZ PHE A 66 -3.758 0.110 -13.341 1.00 0.54 C ATOM 0 H PHE A 66 -9.360 0.938 -9.757 1.00 75.52 H new ATOM 0 HA PHE A 66 -7.013 -0.489 -9.312 1.00 65.32 H new ATOM 0 HB2 PHE A 66 -8.071 -0.537 -11.457 1.00 41.24 H new ATOM 0 HB3 PHE A 66 -8.041 1.209 -11.604 1.00 41.24 H new ATOM 0 HD1 PHE A 66 -5.695 -1.686 -11.251 1.00 54.21 H new ATOM 0 HD2 PHE A 66 -6.356 2.201 -12.863 1.00 12.41 H new ATOM 0 HE1 PHE A 66 -3.561 -1.827 -12.460 1.00 10.22 H new ATOM 0 HE2 PHE A 66 -4.223 2.064 -14.072 1.00 71.12 H new ATOM 0 HZ PHE A 66 -2.819 0.050 -13.872 1.00 0.54 H new ATOM 1035 N LEU A 67 -6.652 2.733 -9.132 1.00 22.35 N ATOM 1036 CA LEU A 67 -5.718 3.806 -8.808 1.00 34.13 C ATOM 1037 C LEU A 67 -5.408 3.825 -7.314 1.00 44.25 C ATOM 1038 O LEU A 67 -4.465 4.484 -6.876 1.00 54.40 O ATOM 1039 CB LEU A 67 -6.294 5.156 -9.238 1.00 10.31 C ATOM 1040 CG LEU A 67 -7.162 5.146 -10.497 1.00 21.42 C ATOM 1041 CD1 LEU A 67 -7.352 6.559 -11.026 1.00 32.41 C ATOM 1042 CD2 LEU A 67 -6.543 4.253 -11.563 1.00 55.53 C ATOM 0 H LEU A 67 -7.632 3.014 -9.136 1.00 22.35 H new ATOM 0 HA LEU A 67 -4.790 3.624 -9.351 1.00 34.13 H new ATOM 0 HB2 LEU A 67 -6.888 5.554 -8.415 1.00 10.31 H new ATOM 0 HB3 LEU A 67 -5.466 5.847 -9.397 1.00 10.31 H new ATOM 0 HG LEU A 67 -8.141 4.744 -10.238 1.00 21.42 H new ATOM 0 HD11 LEU A 67 -7.972 6.532 -11.922 1.00 32.41 H new ATOM 0 HD12 LEU A 67 -7.839 7.170 -10.266 1.00 32.41 H new ATOM 0 HD13 LEU A 67 -6.381 6.990 -11.270 1.00 32.41 H new ATOM 0 HD21 LEU A 67 -7.173 4.257 -12.452 1.00 55.53 H new ATOM 0 HD22 LEU A 67 -5.551 4.626 -11.819 1.00 55.53 H new ATOM 0 HD23 LEU A 67 -6.460 3.235 -11.182 1.00 55.53 H new ATOM 1054 N GLN A 68 -6.205 3.096 -6.540 1.00 2.51 N ATOM 1055 CA GLN A 68 -6.013 3.029 -5.096 1.00 11.20 C ATOM 1056 C GLN A 68 -5.078 1.883 -4.724 1.00 0.42 C ATOM 1057 O GLN A 68 -4.994 1.491 -3.560 1.00 3.32 O ATOM 1058 CB GLN A 68 -7.359 2.855 -4.389 1.00 44.33 C ATOM 1059 CG GLN A 68 -7.865 4.125 -3.723 1.00 63.35 C ATOM 1060 CD GLN A 68 -9.058 4.725 -4.441 1.00 65.44 C ATOM 1061 OE1 GLN A 68 -10.099 4.976 -3.835 1.00 54.12 O ATOM 1062 NE2 GLN A 68 -8.911 4.958 -5.740 1.00 72.45 N ATOM 0 H GLN A 68 -6.989 2.544 -6.888 1.00 2.51 H new ATOM 0 HA GLN A 68 -5.558 3.965 -4.771 1.00 11.20 H new ATOM 0 HB2 GLN A 68 -8.099 2.515 -5.113 1.00 44.33 H new ATOM 0 HB3 GLN A 68 -7.266 2.072 -3.636 1.00 44.33 H new ATOM 0 HG2 GLN A 68 -8.140 3.905 -2.691 1.00 63.35 H new ATOM 0 HG3 GLN A 68 -7.060 4.859 -3.689 1.00 63.35 H new ATOM 0 HE21 GLN A 68 -8.029 4.734 -6.202 1.00 72.45 H new ATOM 0 HE22 GLN A 68 -9.680 5.361 -6.276 1.00 72.45 H new ATOM 1071 N ARG A 69 -4.378 1.350 -5.720 1.00 4.54 N ATOM 1072 CA ARG A 69 -3.450 0.248 -5.497 1.00 4.43 C ATOM 1073 C ARG A 69 -2.005 0.711 -5.666 1.00 74.13 C ATOM 1074 O ARG A 69 -1.105 0.237 -4.973 1.00 13.23 O ATOM 1075 CB ARG A 69 -3.746 -0.899 -6.464 1.00 22.31 C ATOM 1076 CG ARG A 69 -5.055 -0.737 -7.218 1.00 72.35 C ATOM 1077 CD ARG A 69 -6.201 -1.436 -6.503 1.00 2.45 C ATOM 1078 NE ARG A 69 -6.409 -0.907 -5.157 1.00 64.10 N ATOM 1079 CZ ARG A 69 -7.556 -1.012 -4.495 1.00 43.35 C ATOM 1080 NH1 ARG A 69 -8.593 -1.623 -5.052 1.00 44.52 N ATOM 1081 NH2 ARG A 69 -7.667 -0.505 -3.274 1.00 73.21 N ATOM 0 H ARG A 69 -4.436 1.663 -6.689 1.00 4.54 H new ATOM 0 HA ARG A 69 -3.583 -0.105 -4.474 1.00 4.43 H new ATOM 0 HB2 ARG A 69 -2.930 -0.977 -7.182 1.00 22.31 H new ATOM 0 HB3 ARG A 69 -3.771 -1.835 -5.907 1.00 22.31 H new ATOM 0 HG2 ARG A 69 -5.285 0.323 -7.326 1.00 72.35 H new ATOM 0 HG3 ARG A 69 -4.950 -1.144 -8.223 1.00 72.35 H new ATOM 0 HD2 ARG A 69 -7.116 -1.319 -7.084 1.00 2.45 H new ATOM 0 HD3 ARG A 69 -5.994 -2.505 -6.445 1.00 2.45 H new ATOM 0 HE ARG A 69 -5.631 -0.431 -4.701 1.00 64.10 H new ATOM 0 HH11 ARG A 69 -8.511 -2.014 -5.991 1.00 44.52 H new ATOM 0 HH12 ARG A 69 -9.473 -1.702 -4.542 1.00 44.52 H new ATOM 0 HH21 ARG A 69 -6.871 -0.034 -2.843 1.00 73.21 H new ATOM 0 HH22 ARG A 69 -8.548 -0.586 -2.766 1.00 73.21 H new ATOM 1095 N PHE A 70 -1.792 1.638 -6.594 1.00 3.54 N ATOM 1096 CA PHE A 70 -0.457 2.164 -6.856 1.00 0.12 C ATOM 1097 C PHE A 70 -0.218 3.455 -6.078 1.00 54.12 C ATOM 1098 O PHE A 70 0.921 3.810 -5.780 1.00 44.22 O ATOM 1099 CB PHE A 70 -0.270 2.416 -8.353 1.00 61.44 C ATOM 1100 CG PHE A 70 -0.110 1.157 -9.157 1.00 72.13 C ATOM 1101 CD1 PHE A 70 1.089 0.463 -9.152 1.00 3.22 C ATOM 1102 CD2 PHE A 70 -1.160 0.667 -9.918 1.00 5.01 C ATOM 1103 CE1 PHE A 70 1.239 -0.695 -9.891 1.00 40.22 C ATOM 1104 CE2 PHE A 70 -1.016 -0.491 -10.659 1.00 42.21 C ATOM 1105 CZ PHE A 70 0.185 -1.173 -10.645 1.00 31.13 C ATOM 0 H PHE A 70 -2.526 2.040 -7.177 1.00 3.54 H new ATOM 0 HA PHE A 70 0.270 1.422 -6.526 1.00 0.12 H new ATOM 0 HB2 PHE A 70 -1.129 2.972 -8.730 1.00 61.44 H new ATOM 0 HB3 PHE A 70 0.607 3.046 -8.501 1.00 61.44 H new ATOM 0 HD1 PHE A 70 1.916 0.831 -8.564 1.00 3.22 H new ATOM 0 HD2 PHE A 70 -2.101 1.196 -9.932 1.00 5.01 H new ATOM 0 HE1 PHE A 70 2.179 -1.226 -9.879 1.00 40.22 H new ATOM 0 HE2 PHE A 70 -1.842 -0.862 -11.248 1.00 42.21 H new ATOM 0 HZ PHE A 70 0.300 -2.078 -11.223 1.00 31.13 H new ATOM 1115 N GLU A 71 -1.303 4.153 -5.754 1.00 23.52 N ATOM 1116 CA GLU A 71 -1.211 5.405 -5.012 1.00 72.23 C ATOM 1117 C GLU A 71 -1.800 5.253 -3.613 1.00 30.43 C ATOM 1118 O GLU A 71 -1.337 5.881 -2.661 1.00 51.41 O ATOM 1119 CB GLU A 71 -1.937 6.523 -5.764 1.00 62.40 C ATOM 1120 CG GLU A 71 -1.297 7.889 -5.588 1.00 42.51 C ATOM 1121 CD GLU A 71 -1.090 8.253 -4.131 1.00 2.52 C ATOM 1122 OE1 GLU A 71 -2.086 8.592 -3.457 1.00 63.32 O ATOM 1123 OE2 GLU A 71 0.067 8.201 -3.664 1.00 21.50 O ATOM 0 H GLU A 71 -2.254 3.873 -5.993 1.00 23.52 H new ATOM 0 HA GLU A 71 -0.157 5.665 -4.917 1.00 72.23 H new ATOM 0 HB2 GLU A 71 -1.964 6.278 -6.826 1.00 62.40 H new ATOM 0 HB3 GLU A 71 -2.971 6.568 -5.421 1.00 62.40 H new ATOM 0 HG2 GLU A 71 -0.336 7.905 -6.103 1.00 42.51 H new ATOM 0 HG3 GLU A 71 -1.925 8.644 -6.062 1.00 42.51 H new ATOM 1130 N SER A 72 -2.824 4.414 -3.496 1.00 73.41 N ATOM 1131 CA SER A 72 -3.480 4.181 -2.215 1.00 12.45 C ATOM 1132 C SER A 72 -4.118 5.465 -1.690 1.00 65.41 C ATOM 1133 O SER A 72 -3.777 5.943 -0.609 1.00 51.42 O ATOM 1134 CB SER A 72 -2.476 3.643 -1.194 1.00 3.33 C ATOM 1135 OG SER A 72 -1.676 2.618 -1.757 1.00 4.30 O ATOM 0 H SER A 72 -3.218 3.884 -4.274 1.00 73.41 H new ATOM 0 HA SER A 72 -4.265 3.441 -2.366 1.00 12.45 H new ATOM 0 HB2 SER A 72 -1.839 4.455 -0.843 1.00 3.33 H new ATOM 0 HB3 SER A 72 -3.008 3.257 -0.324 1.00 3.33 H new ATOM 0 HG SER A 72 -1.031 2.303 -1.090 1.00 4.30 H new ATOM 1141 N GLY A 73 -5.046 6.017 -2.466 1.00 22.24 N ATOM 1142 CA GLY A 73 -5.717 7.239 -2.064 1.00 3.41 C ATOM 1143 C GLY A 73 -6.242 8.028 -3.247 1.00 0.10 C ATOM 1144 O GLY A 73 -7.119 8.878 -3.095 1.00 20.12 O ATOM 0 H GLY A 73 -5.345 5.640 -3.365 1.00 22.24 H new ATOM 0 HA2 GLY A 73 -6.545 6.993 -1.399 1.00 3.41 H new ATOM 0 HA3 GLY A 73 -5.025 7.860 -1.495 1.00 3.41 H new ATOM 1148 N ALA A 74 -5.704 7.748 -4.429 1.00 65.42 N ATOM 1149 CA ALA A 74 -6.124 8.437 -5.643 1.00 23.12 C ATOM 1150 C ALA A 74 -7.613 8.235 -5.902 1.00 22.45 C ATOM 1151 O ALA A 74 -8.300 7.560 -5.134 1.00 63.13 O ATOM 1152 CB ALA A 74 -5.309 7.954 -6.833 1.00 62.43 C ATOM 0 H ALA A 74 -4.976 7.048 -4.572 1.00 65.42 H new ATOM 0 HA ALA A 74 -5.948 9.504 -5.505 1.00 23.12 H new ATOM 0 HB1 ALA A 74 -5.633 8.477 -7.733 1.00 62.43 H new ATOM 0 HB2 ALA A 74 -4.253 8.156 -6.657 1.00 62.43 H new ATOM 0 HB3 ALA A 74 -5.456 6.882 -6.964 1.00 62.43 H new ATOM 1158 N ARG A 75 -8.106 8.824 -6.986 1.00 63.42 N ATOM 1159 CA ARG A 75 -9.514 8.709 -7.344 1.00 52.24 C ATOM 1160 C ARG A 75 -9.821 7.325 -7.909 1.00 42.33 C ATOM 1161 O ARG A 75 -8.935 6.478 -8.019 1.00 62.34 O ATOM 1162 CB ARG A 75 -9.892 9.784 -8.366 1.00 24.32 C ATOM 1163 CG ARG A 75 -9.301 9.546 -9.746 1.00 51.20 C ATOM 1164 CD ARG A 75 -9.441 10.775 -10.631 1.00 34.01 C ATOM 1165 NE ARG A 75 -10.758 11.395 -10.503 1.00 24.54 N ATOM 1166 CZ ARG A 75 -10.987 12.685 -10.718 1.00 44.15 C ATOM 1167 NH1 ARG A 75 -9.993 13.488 -11.072 1.00 4.11 N ATOM 1168 NH2 ARG A 75 -12.212 13.175 -10.581 1.00 73.45 N ATOM 0 H ARG A 75 -7.551 9.386 -7.632 1.00 63.42 H new ATOM 0 HA ARG A 75 -10.105 8.852 -6.440 1.00 52.24 H new ATOM 0 HB2 ARG A 75 -10.978 9.830 -8.448 1.00 24.32 H new ATOM 0 HB3 ARG A 75 -9.559 10.755 -8.000 1.00 24.32 H new ATOM 0 HG2 ARG A 75 -8.248 9.282 -9.651 1.00 51.20 H new ATOM 0 HG3 ARG A 75 -9.801 8.699 -10.216 1.00 51.20 H new ATOM 0 HD2 ARG A 75 -8.672 11.501 -10.368 1.00 34.01 H new ATOM 0 HD3 ARG A 75 -9.272 10.494 -11.671 1.00 34.01 H new ATOM 0 HE ARG A 75 -11.545 10.804 -10.234 1.00 24.54 H new ATOM 0 HH11 ARG A 75 -9.050 13.115 -11.180 1.00 4.11 H new ATOM 0 HH12 ARG A 75 -10.172 14.479 -11.237 1.00 4.11 H new ATOM 0 HH21 ARG A 75 -12.980 12.561 -10.310 1.00 73.45 H new ATOM 0 HH22 ARG A 75 -12.386 14.166 -10.747 1.00 73.45 H new ATOM 1182 N VAL A 76 -11.082 7.103 -8.266 1.00 11.34 N ATOM 1183 CA VAL A 76 -11.506 5.823 -8.820 1.00 20.04 C ATOM 1184 C VAL A 76 -11.609 5.889 -10.339 1.00 72.22 C ATOM 1185 O VAL A 76 -11.157 6.850 -10.962 1.00 43.32 O ATOM 1186 CB VAL A 76 -12.865 5.384 -8.242 1.00 62.14 C ATOM 1187 CG1 VAL A 76 -12.878 5.539 -6.729 1.00 44.23 C ATOM 1188 CG2 VAL A 76 -13.995 6.179 -8.878 1.00 12.22 C ATOM 0 H VAL A 76 -11.828 7.793 -8.181 1.00 11.34 H new ATOM 0 HA VAL A 76 -10.748 5.091 -8.542 1.00 20.04 H new ATOM 0 HB VAL A 76 -13.016 4.330 -8.475 1.00 62.14 H new ATOM 0 HG11 VAL A 76 -13.846 5.224 -6.339 1.00 44.23 H new ATOM 0 HG12 VAL A 76 -12.093 4.921 -6.293 1.00 44.23 H new ATOM 0 HG13 VAL A 76 -12.704 6.583 -6.469 1.00 44.23 H new ATOM 0 HG21 VAL A 76 -14.948 5.856 -8.458 1.00 12.22 H new ATOM 0 HG22 VAL A 76 -13.851 7.241 -8.677 1.00 12.22 H new ATOM 0 HG23 VAL A 76 -13.997 6.011 -9.955 1.00 12.22 H new ATOM 1198 N LEU A 77 -12.208 4.861 -10.931 1.00 44.10 N ATOM 1199 CA LEU A 77 -12.372 4.802 -12.379 1.00 65.44 C ATOM 1200 C LEU A 77 -13.807 5.127 -12.779 1.00 11.42 C ATOM 1201 O LEU A 77 -14.759 4.685 -12.134 1.00 4.52 O ATOM 1202 CB LEU A 77 -11.988 3.415 -12.899 1.00 44.13 C ATOM 1203 CG LEU A 77 -10.631 2.879 -12.441 1.00 61.44 C ATOM 1204 CD1 LEU A 77 -10.302 1.578 -13.158 1.00 43.20 C ATOM 1205 CD2 LEU A 77 -9.540 3.912 -12.681 1.00 12.43 C ATOM 0 H LEU A 77 -12.588 4.058 -10.430 1.00 44.10 H new ATOM 0 HA LEU A 77 -11.713 5.547 -12.825 1.00 65.44 H new ATOM 0 HB2 LEU A 77 -12.758 2.708 -12.592 1.00 44.13 H new ATOM 0 HB3 LEU A 77 -11.997 3.442 -13.989 1.00 44.13 H new ATOM 0 HG LEU A 77 -10.684 2.678 -11.371 1.00 61.44 H new ATOM 0 HD11 LEU A 77 -9.333 1.211 -12.820 1.00 43.20 H new ATOM 0 HD12 LEU A 77 -11.069 0.836 -12.935 1.00 43.20 H new ATOM 0 HD13 LEU A 77 -10.268 1.754 -14.233 1.00 43.20 H new ATOM 0 HD21 LEU A 77 -8.582 3.513 -12.349 1.00 12.43 H new ATOM 0 HD22 LEU A 77 -9.487 4.145 -13.744 1.00 12.43 H new ATOM 0 HD23 LEU A 77 -9.769 4.819 -12.122 1.00 12.43 H new ATOM 1217 N THR A 78 -13.957 5.902 -13.849 1.00 11.23 N ATOM 1218 CA THR A 78 -15.276 6.286 -14.335 1.00 50.53 C ATOM 1219 C THR A 78 -15.937 5.142 -15.094 1.00 70.34 C ATOM 1220 O THR A 78 -15.388 4.044 -15.183 1.00 5.12 O ATOM 1221 CB THR A 78 -15.198 7.520 -15.255 1.00 32.22 C ATOM 1222 OG1 THR A 78 -16.515 7.923 -15.646 1.00 14.22 O ATOM 1223 CG2 THR A 78 -14.366 7.220 -16.492 1.00 43.53 C ATOM 0 H THR A 78 -13.181 6.276 -14.395 1.00 11.23 H new ATOM 0 HA THR A 78 -15.876 6.532 -13.459 1.00 50.53 H new ATOM 0 HB THR A 78 -14.720 8.329 -14.702 1.00 32.22 H new ATOM 0 HG1 THR A 78 -16.457 8.709 -16.229 1.00 14.22 H new ATOM 0 HG21 THR A 78 -14.325 8.105 -17.126 1.00 43.53 H new ATOM 0 HG22 THR A 78 -13.356 6.941 -16.192 1.00 43.53 H new ATOM 0 HG23 THR A 78 -14.820 6.398 -17.045 1.00 43.53 H new ATOM 1231 N ALA A 79 -17.119 5.405 -15.641 1.00 52.24 N ATOM 1232 CA ALA A 79 -17.854 4.397 -16.396 1.00 3.13 C ATOM 1233 C ALA A 79 -17.191 4.129 -17.743 1.00 33.43 C ATOM 1234 O ALA A 79 -17.573 3.203 -18.459 1.00 43.33 O ATOM 1235 CB ALA A 79 -19.298 4.834 -16.593 1.00 63.21 C ATOM 0 H ALA A 79 -17.589 6.308 -15.576 1.00 52.24 H new ATOM 0 HA ALA A 79 -17.842 3.469 -15.824 1.00 3.13 H new ATOM 0 HB1 ALA A 79 -19.835 4.072 -17.158 1.00 63.21 H new ATOM 0 HB2 ALA A 79 -19.774 4.967 -15.621 1.00 63.21 H new ATOM 0 HB3 ALA A 79 -19.322 5.776 -17.141 1.00 63.21 H new ATOM 1241 N SER A 80 -16.198 4.944 -18.082 1.00 1.25 N ATOM 1242 CA SER A 80 -15.485 4.797 -19.345 1.00 54.23 C ATOM 1243 C SER A 80 -14.090 4.224 -19.119 1.00 21.24 C ATOM 1244 O SER A 80 -13.392 3.868 -20.068 1.00 12.32 O ATOM 1245 CB SER A 80 -15.385 6.147 -20.058 1.00 61.15 C ATOM 1246 OG SER A 80 -14.294 6.166 -20.963 1.00 31.12 O ATOM 0 H SER A 80 -15.869 5.714 -17.499 1.00 1.25 H new ATOM 0 HA SER A 80 -16.046 4.103 -19.971 1.00 54.23 H new ATOM 0 HB2 SER A 80 -16.312 6.347 -20.596 1.00 61.15 H new ATOM 0 HB3 SER A 80 -15.265 6.942 -19.322 1.00 61.15 H new ATOM 0 HG SER A 80 -13.669 6.876 -20.707 1.00 31.12 H new ATOM 1252 N GLU A 81 -13.691 4.138 -17.854 1.00 24.35 N ATOM 1253 CA GLU A 81 -12.378 3.608 -17.502 1.00 11.52 C ATOM 1254 C GLU A 81 -12.468 2.130 -17.135 1.00 70.14 C ATOM 1255 O GLU A 81 -11.873 1.277 -17.795 1.00 21.01 O ATOM 1256 CB GLU A 81 -11.781 4.399 -16.336 1.00 23.23 C ATOM 1257 CG GLU A 81 -11.314 5.793 -16.721 1.00 31.43 C ATOM 1258 CD GLU A 81 -10.948 6.638 -15.517 1.00 3.53 C ATOM 1259 OE1 GLU A 81 -9.853 6.426 -14.954 1.00 41.35 O ATOM 1260 OE2 GLU A 81 -11.755 7.512 -15.137 1.00 31.13 O ATOM 0 H GLU A 81 -14.257 4.428 -17.057 1.00 24.35 H new ATOM 0 HA GLU A 81 -11.728 3.709 -18.371 1.00 11.52 H new ATOM 0 HB2 GLU A 81 -12.526 4.480 -15.544 1.00 23.23 H new ATOM 0 HB3 GLU A 81 -10.938 3.843 -15.925 1.00 23.23 H new ATOM 0 HG2 GLU A 81 -10.450 5.713 -17.381 1.00 31.43 H new ATOM 0 HG3 GLU A 81 -12.101 6.293 -17.285 1.00 31.43 H new ATOM 1267 N THR A 82 -13.217 1.833 -16.077 1.00 65.25 N ATOM 1268 CA THR A 82 -13.384 0.459 -15.621 1.00 62.21 C ATOM 1269 C THR A 82 -13.793 -0.456 -16.770 1.00 31.13 C ATOM 1270 O THR A 82 -13.223 -1.532 -16.954 1.00 15.12 O ATOM 1271 CB THR A 82 -14.438 0.363 -14.503 1.00 33.25 C ATOM 1272 OG1 THR A 82 -15.187 1.581 -14.430 1.00 14.04 O ATOM 1273 CG2 THR A 82 -13.779 0.086 -13.160 1.00 32.32 C ATOM 0 H THR A 82 -13.717 2.526 -15.520 1.00 65.25 H new ATOM 0 HA THR A 82 -12.419 0.136 -15.229 1.00 62.21 H new ATOM 0 HB THR A 82 -15.110 -0.463 -14.737 1.00 33.25 H new ATOM 0 HG1 THR A 82 -15.856 1.511 -13.717 1.00 14.04 H new ATOM 0 HG21 THR A 82 -14.544 0.022 -12.386 1.00 32.32 H new ATOM 0 HG22 THR A 82 -13.234 -0.857 -13.210 1.00 32.32 H new ATOM 0 HG23 THR A 82 -13.087 0.893 -12.921 1.00 32.32 H new ATOM 1281 N LYS A 83 -14.784 -0.022 -17.541 1.00 60.13 N ATOM 1282 CA LYS A 83 -15.269 -0.801 -18.674 1.00 53.24 C ATOM 1283 C LYS A 83 -14.110 -1.276 -19.545 1.00 11.52 C ATOM 1284 O LYS A 83 -14.048 -2.443 -19.933 1.00 10.25 O ATOM 1285 CB LYS A 83 -16.242 0.032 -19.512 1.00 74.33 C ATOM 1286 CG LYS A 83 -17.688 -0.084 -19.060 1.00 3.04 C ATOM 1287 CD LYS A 83 -18.653 0.270 -20.179 1.00 4.44 C ATOM 1288 CE LYS A 83 -20.094 0.266 -19.694 1.00 32.22 C ATOM 1289 NZ LYS A 83 -21.056 0.076 -20.815 1.00 1.01 N ATOM 0 H LYS A 83 -15.267 0.865 -17.402 1.00 60.13 H new ATOM 0 HA LYS A 83 -15.790 -1.676 -18.285 1.00 53.24 H new ATOM 0 HB2 LYS A 83 -15.940 1.079 -19.471 1.00 74.33 H new ATOM 0 HB3 LYS A 83 -16.170 -0.280 -20.554 1.00 74.33 H new ATOM 0 HG2 LYS A 83 -17.883 -1.101 -18.719 1.00 3.04 H new ATOM 0 HG3 LYS A 83 -17.858 0.576 -18.209 1.00 3.04 H new ATOM 0 HD2 LYS A 83 -18.405 1.254 -20.577 1.00 4.44 H new ATOM 0 HD3 LYS A 83 -18.541 -0.442 -20.996 1.00 4.44 H new ATOM 0 HE2 LYS A 83 -20.228 -0.530 -18.961 1.00 32.22 H new ATOM 0 HE3 LYS A 83 -20.309 1.206 -19.186 1.00 32.22 H new ATOM 0 HZ1 LYS A 83 -22.027 0.079 -20.443 1.00 1.01 H new ATOM 0 HZ2 LYS A 83 -20.946 0.849 -21.502 1.00 1.01 H new ATOM 0 HZ3 LYS A 83 -20.868 -0.833 -21.284 1.00 1.01 H new ATOM 1303 N THR A 84 -13.191 -0.364 -19.848 1.00 13.40 N ATOM 1304 CA THR A 84 -12.034 -0.689 -20.672 1.00 31.21 C ATOM 1305 C THR A 84 -11.196 -1.790 -20.032 1.00 60.22 C ATOM 1306 O THR A 84 -11.002 -2.856 -20.617 1.00 74.11 O ATOM 1307 CB THR A 84 -11.145 0.547 -20.906 1.00 32.14 C ATOM 1308 OG1 THR A 84 -11.936 1.632 -21.403 1.00 11.13 O ATOM 1309 CG2 THR A 84 -10.030 0.233 -21.891 1.00 24.31 C ATOM 0 H THR A 84 -13.226 0.606 -19.535 1.00 13.40 H new ATOM 0 HA THR A 84 -12.417 -1.038 -21.631 1.00 31.21 H new ATOM 0 HB THR A 84 -10.697 0.831 -19.954 1.00 32.14 H new ATOM 0 HG1 THR A 84 -12.259 2.173 -20.652 1.00 11.13 H new ATOM 0 HG21 THR A 84 -9.416 1.121 -22.040 1.00 24.31 H new ATOM 0 HG22 THR A 84 -9.412 -0.574 -21.496 1.00 24.31 H new ATOM 0 HG23 THR A 84 -10.462 -0.074 -22.844 1.00 24.31 H new ATOM 1317 N PHE A 85 -10.701 -1.526 -18.828 1.00 21.25 N ATOM 1318 CA PHE A 85 -9.883 -2.495 -18.108 1.00 63.40 C ATOM 1319 C PHE A 85 -10.578 -3.852 -18.043 1.00 64.44 C ATOM 1320 O PHE A 85 -9.973 -4.887 -18.328 1.00 45.22 O ATOM 1321 CB PHE A 85 -9.586 -1.994 -16.693 1.00 50.23 C ATOM 1322 CG PHE A 85 -8.401 -2.662 -16.056 1.00 73.24 C ATOM 1323 CD1 PHE A 85 -8.492 -3.963 -15.587 1.00 14.41 C ATOM 1324 CD2 PHE A 85 -7.196 -1.990 -15.928 1.00 33.42 C ATOM 1325 CE1 PHE A 85 -7.404 -4.580 -15.000 1.00 1.42 C ATOM 1326 CE2 PHE A 85 -6.104 -2.602 -15.342 1.00 32.50 C ATOM 1327 CZ PHE A 85 -6.208 -3.899 -14.878 1.00 71.23 C ATOM 0 H PHE A 85 -10.852 -0.649 -18.330 1.00 21.25 H new ATOM 0 HA PHE A 85 -8.944 -2.612 -18.649 1.00 63.40 H new ATOM 0 HB2 PHE A 85 -9.412 -0.918 -16.726 1.00 50.23 H new ATOM 0 HB3 PHE A 85 -10.464 -2.156 -16.067 1.00 50.23 H new ATOM 0 HD1 PHE A 85 -9.424 -4.501 -15.681 1.00 14.41 H new ATOM 0 HD2 PHE A 85 -7.109 -0.976 -16.290 1.00 33.42 H new ATOM 0 HE1 PHE A 85 -7.488 -5.594 -14.637 1.00 1.42 H new ATOM 0 HE2 PHE A 85 -5.171 -2.067 -15.247 1.00 32.50 H new ATOM 0 HZ PHE A 85 -5.356 -4.380 -14.421 1.00 71.23 H new ATOM 1337 N LEU A 86 -11.851 -3.840 -17.666 1.00 73.55 N ATOM 1338 CA LEU A 86 -12.630 -5.070 -17.563 1.00 52.33 C ATOM 1339 C LEU A 86 -12.775 -5.739 -18.927 1.00 10.45 C ATOM 1340 O LEU A 86 -12.749 -6.964 -19.033 1.00 71.24 O ATOM 1341 CB LEU A 86 -14.012 -4.773 -16.978 1.00 72.54 C ATOM 1342 CG LEU A 86 -15.004 -5.937 -16.977 1.00 71.24 C ATOM 1343 CD1 LEU A 86 -14.672 -6.921 -15.866 1.00 43.13 C ATOM 1344 CD2 LEU A 86 -16.429 -5.423 -16.829 1.00 22.52 C ATOM 0 H LEU A 86 -12.366 -2.993 -17.426 1.00 73.55 H new ATOM 0 HA LEU A 86 -12.100 -5.753 -16.899 1.00 52.33 H new ATOM 0 HB2 LEU A 86 -13.884 -4.430 -15.951 1.00 72.54 H new ATOM 0 HB3 LEU A 86 -14.452 -3.947 -17.538 1.00 72.54 H new ATOM 0 HG LEU A 86 -14.924 -6.458 -17.931 1.00 71.24 H new ATOM 0 HD11 LEU A 86 -15.389 -7.742 -15.881 1.00 43.13 H new ATOM 0 HD12 LEU A 86 -13.667 -7.314 -16.016 1.00 43.13 H new ATOM 0 HD13 LEU A 86 -14.723 -6.413 -14.903 1.00 43.13 H new ATOM 0 HD21 LEU A 86 -17.121 -6.265 -16.830 1.00 22.52 H new ATOM 0 HD22 LEU A 86 -16.523 -4.877 -15.890 1.00 22.52 H new ATOM 0 HD23 LEU A 86 -16.664 -4.758 -17.660 1.00 22.52 H new ATOM 1356 N ALA A 87 -12.926 -4.925 -19.966 1.00 45.43 N ATOM 1357 CA ALA A 87 -13.070 -5.437 -21.323 1.00 60.21 C ATOM 1358 C ALA A 87 -11.714 -5.796 -21.922 1.00 11.13 C ATOM 1359 O ALA A 87 -11.623 -6.195 -23.082 1.00 54.23 O ATOM 1360 CB ALA A 87 -13.783 -4.418 -22.199 1.00 41.13 C ATOM 0 H ALA A 87 -12.952 -3.908 -19.894 1.00 45.43 H new ATOM 0 HA ALA A 87 -13.670 -6.346 -21.280 1.00 60.21 H new ATOM 0 HB1 ALA A 87 -13.883 -4.814 -23.210 1.00 41.13 H new ATOM 0 HB2 ALA A 87 -14.772 -4.214 -21.789 1.00 41.13 H new ATOM 0 HB3 ALA A 87 -13.205 -3.494 -22.227 1.00 41.13 H new ATOM 1366 N ALA A 88 -10.662 -5.650 -21.122 1.00 74.52 N ATOM 1367 CA ALA A 88 -9.311 -5.961 -21.573 1.00 54.52 C ATOM 1368 C ALA A 88 -8.738 -7.151 -20.812 1.00 12.01 C ATOM 1369 O ALA A 88 -7.754 -7.755 -21.236 1.00 63.32 O ATOM 1370 CB ALA A 88 -8.410 -4.745 -21.413 1.00 63.51 C ATOM 0 H ALA A 88 -10.720 -5.319 -20.159 1.00 74.52 H new ATOM 0 HA ALA A 88 -9.359 -6.229 -22.629 1.00 54.52 H new ATOM 0 HB1 ALA A 88 -7.404 -4.990 -21.753 1.00 63.51 H new ATOM 0 HB2 ALA A 88 -8.803 -3.920 -22.007 1.00 63.51 H new ATOM 0 HB3 ALA A 88 -8.377 -4.452 -20.364 1.00 63.51 H new ATOM 1376 N ALA A 89 -9.360 -7.482 -19.685 1.00 73.12 N ATOM 1377 CA ALA A 89 -8.912 -8.601 -18.866 1.00 34.24 C ATOM 1378 C ALA A 89 -9.966 -9.703 -18.818 1.00 3.21 C ATOM 1379 O ALA A 89 -9.688 -10.855 -19.148 1.00 42.22 O ATOM 1380 CB ALA A 89 -8.579 -8.125 -17.459 1.00 73.43 C ATOM 0 H ALA A 89 -10.176 -6.991 -19.319 1.00 73.12 H new ATOM 0 HA ALA A 89 -8.012 -9.015 -19.321 1.00 34.24 H new ATOM 0 HB1 ALA A 89 -8.246 -8.971 -16.858 1.00 73.43 H new ATOM 0 HB2 ALA A 89 -7.786 -7.378 -17.506 1.00 73.43 H new ATOM 0 HB3 ALA A 89 -9.466 -7.684 -17.004 1.00 73.43 H new ATOM 1386 N ASP A 90 -11.176 -9.341 -18.404 1.00 3.21 N ATOM 1387 CA ASP A 90 -12.271 -10.300 -18.312 1.00 4.33 C ATOM 1388 C ASP A 90 -12.570 -10.916 -19.675 1.00 11.02 C ATOM 1389 O ASP A 90 -12.274 -12.086 -19.918 1.00 21.33 O ATOM 1390 CB ASP A 90 -13.526 -9.621 -17.760 1.00 3.34 C ATOM 1391 CG ASP A 90 -14.707 -10.566 -17.685 1.00 54.11 C ATOM 1392 OD1 ASP A 90 -14.708 -11.437 -16.682 1.00 54.44 O ATOM 1393 OD2 ASP A 90 -15.611 -10.514 -18.520 1.00 10.11 O ATOM 0 H ASP A 90 -11.423 -8.391 -18.127 1.00 3.21 H new ATOM 0 HA ASP A 90 -11.968 -11.096 -17.632 1.00 4.33 H new ATOM 0 HB2 ASP A 90 -13.315 -9.227 -16.766 1.00 3.34 H new ATOM 0 HB3 ASP A 90 -13.784 -8.771 -18.392 1.00 3.34 H new ATOM 1398 N HIS A 91 -13.159 -10.120 -20.562 1.00 11.13 N ATOM 1399 CA HIS A 91 -13.498 -10.586 -21.901 1.00 62.55 C ATOM 1400 C HIS A 91 -14.430 -11.792 -21.837 1.00 73.42 C ATOM 1401 O HIS A 91 -14.659 -12.467 -22.842 1.00 12.54 O ATOM 1402 CB HIS A 91 -12.229 -10.949 -22.674 1.00 52.32 C ATOM 1403 CG HIS A 91 -12.358 -10.769 -24.155 1.00 52.45 C ATOM 1404 ND1 HIS A 91 -11.272 -10.659 -24.998 1.00 1.33 N ATOM 1405 CD2 HIS A 91 -13.454 -10.681 -24.945 1.00 15.15 C ATOM 1406 CE1 HIS A 91 -11.694 -10.510 -26.240 1.00 54.44 C ATOM 1407 NE2 HIS A 91 -13.015 -10.520 -26.236 1.00 32.24 N ATOM 0 H HIS A 91 -13.411 -9.149 -20.377 1.00 11.13 H new ATOM 0 HA HIS A 91 -14.013 -9.778 -22.420 1.00 62.55 H new ATOM 0 HB2 HIS A 91 -11.405 -10.335 -22.312 1.00 52.32 H new ATOM 0 HB3 HIS A 91 -11.970 -11.987 -22.464 1.00 52.32 H new ATOM 0 HD2 HIS A 91 -14.483 -10.729 -24.620 1.00 15.15 H new ATOM 0 HE1 HIS A 91 -11.066 -10.399 -27.111 1.00 54.44 H new ATOM 0 HE2 HIS A 91 -13.611 -10.424 -27.058 1.00 32.24 H new ATOM 1415 N ASP A 92 -14.964 -12.058 -20.650 1.00 75.34 N ATOM 1416 CA ASP A 92 -15.872 -13.183 -20.455 1.00 52.21 C ATOM 1417 C ASP A 92 -17.313 -12.700 -20.316 1.00 62.53 C ATOM 1418 O ASP A 92 -18.256 -13.469 -20.501 1.00 1.41 O ATOM 1419 CB ASP A 92 -15.468 -13.983 -19.216 1.00 63.32 C ATOM 1420 CG ASP A 92 -13.963 -14.076 -19.053 1.00 33.32 C ATOM 1421 OD1 ASP A 92 -13.280 -14.416 -20.041 1.00 4.12 O ATOM 1422 OD2 ASP A 92 -13.470 -13.810 -17.937 1.00 22.23 O ATOM 0 H ASP A 92 -14.784 -11.510 -19.808 1.00 75.34 H new ATOM 0 HA ASP A 92 -15.806 -13.828 -21.332 1.00 52.21 H new ATOM 0 HB2 ASP A 92 -15.899 -13.517 -18.330 1.00 63.32 H new ATOM 0 HB3 ASP A 92 -15.886 -14.987 -19.283 1.00 63.32 H new ATOM 1427 N GLY A 93 -17.475 -11.422 -19.988 1.00 63.14 N ATOM 1428 CA GLY A 93 -18.803 -10.860 -19.829 1.00 0.40 C ATOM 1429 C GLY A 93 -19.396 -11.151 -18.465 1.00 31.02 C ATOM 1430 O GLY A 93 -20.616 -11.199 -18.308 1.00 73.04 O ATOM 0 H GLY A 93 -16.710 -10.766 -19.830 1.00 63.14 H new ATOM 0 HA2 GLY A 93 -18.758 -9.781 -19.980 1.00 0.40 H new ATOM 0 HA3 GLY A 93 -19.459 -11.263 -20.601 1.00 0.40 H new ATOM 1434 N ASP A 94 -18.532 -11.348 -17.475 1.00 43.35 N ATOM 1435 CA ASP A 94 -18.977 -11.637 -16.117 1.00 40.13 C ATOM 1436 C ASP A 94 -18.959 -10.376 -15.259 1.00 52.55 C ATOM 1437 O ASP A 94 -19.812 -10.190 -14.392 1.00 61.32 O ATOM 1438 CB ASP A 94 -18.091 -12.711 -15.485 1.00 63.10 C ATOM 1439 CG ASP A 94 -17.406 -13.580 -16.521 1.00 70.43 C ATOM 1440 OD1 ASP A 94 -18.045 -13.895 -17.547 1.00 1.11 O ATOM 1441 OD2 ASP A 94 -16.231 -13.947 -16.306 1.00 75.03 O ATOM 0 H ASP A 94 -17.519 -11.313 -17.588 1.00 43.35 H new ATOM 0 HA ASP A 94 -20.002 -12.006 -16.168 1.00 40.13 H new ATOM 0 HB2 ASP A 94 -17.337 -12.234 -14.859 1.00 63.10 H new ATOM 0 HB3 ASP A 94 -18.696 -13.339 -14.831 1.00 63.10 H new ATOM 1446 N GLY A 95 -17.980 -9.511 -15.508 1.00 12.34 N ATOM 1447 CA GLY A 95 -17.869 -8.279 -14.749 1.00 42.50 C ATOM 1448 C GLY A 95 -16.852 -8.377 -13.629 1.00 70.02 C ATOM 1449 O GLY A 95 -16.537 -7.382 -12.976 1.00 52.35 O ATOM 0 H GLY A 95 -17.263 -9.641 -16.221 1.00 12.34 H new ATOM 0 HA2 GLY A 95 -17.589 -7.467 -15.420 1.00 42.50 H new ATOM 0 HA3 GLY A 95 -18.843 -8.025 -14.330 1.00 42.50 H new ATOM 1453 N LYS A 96 -16.337 -9.581 -13.404 1.00 33.12 N ATOM 1454 CA LYS A 96 -15.350 -9.808 -12.355 1.00 12.42 C ATOM 1455 C LYS A 96 -14.028 -10.285 -12.946 1.00 45.41 C ATOM 1456 O LYS A 96 -14.002 -11.176 -13.795 1.00 54.25 O ATOM 1457 CB LYS A 96 -15.872 -10.836 -11.349 1.00 22.22 C ATOM 1458 CG LYS A 96 -16.076 -12.219 -11.943 1.00 41.11 C ATOM 1459 CD LYS A 96 -17.463 -12.758 -11.637 1.00 20.42 C ATOM 1460 CE LYS A 96 -17.427 -13.780 -10.511 1.00 34.14 C ATOM 1461 NZ LYS A 96 -17.280 -15.169 -11.026 1.00 61.24 N ATOM 0 H LYS A 96 -16.587 -10.415 -13.935 1.00 33.12 H new ATOM 0 HA LYS A 96 -15.178 -8.862 -11.842 1.00 12.42 H new ATOM 0 HB2 LYS A 96 -15.171 -10.907 -10.518 1.00 22.22 H new ATOM 0 HB3 LYS A 96 -16.818 -10.483 -10.939 1.00 22.22 H new ATOM 0 HG2 LYS A 96 -15.931 -12.177 -13.022 1.00 41.11 H new ATOM 0 HG3 LYS A 96 -15.324 -12.901 -11.546 1.00 41.11 H new ATOM 0 HD2 LYS A 96 -18.122 -11.935 -11.362 1.00 20.42 H new ATOM 0 HD3 LYS A 96 -17.882 -13.216 -12.533 1.00 20.42 H new ATOM 0 HE2 LYS A 96 -16.599 -13.552 -9.840 1.00 34.14 H new ATOM 0 HE3 LYS A 96 -18.342 -13.706 -9.924 1.00 34.14 H new ATOM 0 HZ1 LYS A 96 -17.260 -15.835 -10.227 1.00 61.24 H new ATOM 0 HZ2 LYS A 96 -18.083 -15.396 -11.646 1.00 61.24 H new ATOM 0 HZ3 LYS A 96 -16.394 -15.247 -11.565 1.00 61.24 H new ATOM 1475 N ILE A 97 -12.932 -9.687 -12.491 1.00 25.12 N ATOM 1476 CA ILE A 97 -11.606 -10.054 -12.973 1.00 41.44 C ATOM 1477 C ILE A 97 -11.024 -11.205 -12.161 1.00 20.31 C ATOM 1478 O ILE A 97 -11.094 -11.210 -10.933 1.00 30.03 O ATOM 1479 CB ILE A 97 -10.636 -8.859 -12.917 1.00 1.44 C ATOM 1480 CG1 ILE A 97 -11.101 -7.751 -13.864 1.00 11.43 C ATOM 1481 CG2 ILE A 97 -9.224 -9.305 -13.268 1.00 35.03 C ATOM 1482 CD1 ILE A 97 -11.071 -8.150 -15.322 1.00 71.43 C ATOM 0 H ILE A 97 -12.936 -8.947 -11.790 1.00 25.12 H new ATOM 0 HA ILE A 97 -11.724 -10.368 -14.010 1.00 41.44 H new ATOM 0 HB ILE A 97 -10.629 -8.464 -11.901 1.00 1.44 H new ATOM 0 HG12 ILE A 97 -12.116 -7.458 -13.597 1.00 11.43 H new ATOM 0 HG13 ILE A 97 -10.469 -6.874 -13.723 1.00 11.43 H new ATOM 0 HG21 ILE A 97 -8.551 -8.449 -13.224 1.00 35.03 H new ATOM 0 HG22 ILE A 97 -8.895 -10.063 -12.557 1.00 35.03 H new ATOM 0 HG23 ILE A 97 -9.214 -9.723 -14.275 1.00 35.03 H new ATOM 0 HD11 ILE A 97 -11.413 -7.316 -15.935 1.00 71.43 H new ATOM 0 HD12 ILE A 97 -10.052 -8.415 -15.606 1.00 71.43 H new ATOM 0 HD13 ILE A 97 -11.726 -9.007 -15.478 1.00 71.43 H new ATOM 1494 N GLY A 98 -10.447 -12.181 -12.856 1.00 73.12 N ATOM 1495 CA GLY A 98 -9.860 -13.324 -12.183 1.00 24.41 C ATOM 1496 C GLY A 98 -8.373 -13.454 -12.450 1.00 51.41 C ATOM 1497 O GLY A 98 -7.866 -12.930 -13.441 1.00 51.44 O ATOM 0 H GLY A 98 -10.376 -12.200 -13.873 1.00 73.12 H new ATOM 0 HA2 GLY A 98 -10.027 -13.235 -11.110 1.00 24.41 H new ATOM 0 HA3 GLY A 98 -10.365 -14.233 -12.509 1.00 24.41 H new ATOM 1501 N ALA A 99 -7.672 -14.152 -11.563 1.00 35.13 N ATOM 1502 CA ALA A 99 -6.235 -14.349 -11.708 1.00 15.41 C ATOM 1503 C ALA A 99 -5.916 -15.163 -12.957 1.00 12.01 C ATOM 1504 O ALA A 99 -4.758 -15.272 -13.358 1.00 51.52 O ATOM 1505 CB ALA A 99 -5.669 -15.031 -10.472 1.00 5.44 C ATOM 0 H ALA A 99 -8.076 -14.591 -10.736 1.00 35.13 H new ATOM 0 HA ALA A 99 -5.768 -13.370 -11.815 1.00 15.41 H new ATOM 0 HB1 ALA A 99 -4.595 -15.172 -10.594 1.00 5.44 H new ATOM 0 HB2 ALA A 99 -5.856 -14.410 -9.596 1.00 5.44 H new ATOM 0 HB3 ALA A 99 -6.149 -16.000 -10.339 1.00 5.44 H new ATOM 1511 N GLU A 100 -6.951 -15.734 -13.566 1.00 43.32 N ATOM 1512 CA GLU A 100 -6.778 -16.540 -14.769 1.00 53.32 C ATOM 1513 C GLU A 100 -6.928 -15.684 -16.024 1.00 4.34 C ATOM 1514 O GLU A 100 -6.603 -16.120 -17.127 1.00 65.41 O ATOM 1515 CB GLU A 100 -7.795 -17.683 -14.794 1.00 54.43 C ATOM 1516 CG GLU A 100 -7.371 -18.857 -15.660 1.00 44.53 C ATOM 1517 CD GLU A 100 -6.319 -19.722 -14.994 1.00 70.52 C ATOM 1518 OE1 GLU A 100 -5.118 -19.415 -15.142 1.00 4.45 O ATOM 1519 OE2 GLU A 100 -6.697 -20.707 -14.326 1.00 61.42 O ATOM 0 H GLU A 100 -7.916 -15.653 -13.247 1.00 43.32 H new ATOM 0 HA GLU A 100 -5.772 -16.958 -14.754 1.00 53.32 H new ATOM 0 HB2 GLU A 100 -7.959 -18.034 -13.775 1.00 54.43 H new ATOM 0 HB3 GLU A 100 -8.749 -17.301 -15.157 1.00 54.43 H new ATOM 0 HG2 GLU A 100 -8.244 -19.467 -15.892 1.00 44.53 H new ATOM 0 HG3 GLU A 100 -6.983 -18.483 -16.607 1.00 44.53 H new ATOM 1526 N GLU A 101 -7.422 -14.463 -15.844 1.00 52.25 N ATOM 1527 CA GLU A 101 -7.616 -13.546 -16.962 1.00 20.31 C ATOM 1528 C GLU A 101 -6.941 -12.205 -16.689 1.00 33.11 C ATOM 1529 O GLU A 101 -6.972 -11.301 -17.524 1.00 1.32 O ATOM 1530 CB GLU A 101 -9.109 -13.335 -17.224 1.00 44.21 C ATOM 1531 CG GLU A 101 -9.779 -12.415 -16.217 1.00 71.42 C ATOM 1532 CD GLU A 101 -11.233 -12.774 -15.977 1.00 63.21 C ATOM 1533 OE1 GLU A 101 -11.603 -13.942 -16.222 1.00 11.42 O ATOM 1534 OE2 GLU A 101 -12.000 -11.889 -15.545 1.00 45.52 O ATOM 0 H GLU A 101 -7.695 -14.086 -14.936 1.00 52.25 H new ATOM 0 HA GLU A 101 -7.159 -13.990 -17.846 1.00 20.31 H new ATOM 0 HB2 GLU A 101 -9.239 -12.921 -18.224 1.00 44.21 H new ATOM 0 HB3 GLU A 101 -9.612 -14.302 -17.211 1.00 44.21 H new ATOM 0 HG2 GLU A 101 -9.237 -12.460 -15.272 1.00 71.42 H new ATOM 0 HG3 GLU A 101 -9.716 -11.386 -16.572 1.00 71.42 H new ATOM 1541 N PHE A 102 -6.333 -12.084 -15.514 1.00 1.04 N ATOM 1542 CA PHE A 102 -5.652 -10.853 -15.129 1.00 22.44 C ATOM 1543 C PHE A 102 -4.299 -10.740 -15.825 1.00 25.15 C ATOM 1544 O PHE A 102 -4.117 -9.915 -16.719 1.00 41.12 O ATOM 1545 CB PHE A 102 -5.463 -10.803 -13.611 1.00 73.10 C ATOM 1546 CG PHE A 102 -4.924 -9.491 -13.117 1.00 74.00 C ATOM 1547 CD1 PHE A 102 -5.703 -8.346 -13.163 1.00 12.12 C ATOM 1548 CD2 PHE A 102 -3.639 -9.403 -12.606 1.00 55.14 C ATOM 1549 CE1 PHE A 102 -5.209 -7.137 -12.710 1.00 33.24 C ATOM 1550 CE2 PHE A 102 -3.140 -8.197 -12.151 1.00 53.13 C ATOM 1551 CZ PHE A 102 -3.927 -7.063 -12.202 1.00 42.11 C ATOM 0 H PHE A 102 -6.298 -12.823 -14.812 1.00 1.04 H new ATOM 0 HA PHE A 102 -6.272 -10.012 -15.439 1.00 22.44 H new ATOM 0 HB2 PHE A 102 -6.420 -10.999 -13.127 1.00 73.10 H new ATOM 0 HB3 PHE A 102 -4.785 -11.602 -13.311 1.00 73.10 H new ATOM 0 HD1 PHE A 102 -6.707 -8.399 -13.557 1.00 12.12 H new ATOM 0 HD2 PHE A 102 -3.020 -10.287 -12.563 1.00 55.14 H new ATOM 0 HE1 PHE A 102 -5.825 -6.251 -12.753 1.00 33.24 H new ATOM 0 HE2 PHE A 102 -2.136 -8.141 -11.756 1.00 53.13 H new ATOM 0 HZ PHE A 102 -3.540 -6.120 -11.845 1.00 42.11 H new ATOM 1561 N GLN A 103 -3.353 -11.575 -15.406 1.00 1.02 N ATOM 1562 CA GLN A 103 -2.016 -11.568 -15.988 1.00 1.23 C ATOM 1563 C GLN A 103 -2.084 -11.651 -17.509 1.00 41.20 C ATOM 1564 O GLN A 103 -1.265 -11.056 -18.209 1.00 71.21 O ATOM 1565 CB GLN A 103 -1.191 -12.733 -15.438 1.00 12.22 C ATOM 1566 CG GLN A 103 -1.788 -14.097 -15.741 1.00 73.53 C ATOM 1567 CD GLN A 103 -1.789 -15.015 -14.535 1.00 34.41 C ATOM 1568 OE1 GLN A 103 -1.384 -16.175 -14.622 1.00 41.21 O ATOM 1569 NE2 GLN A 103 -2.246 -14.501 -13.399 1.00 53.53 N ATOM 0 H GLN A 103 -3.488 -12.264 -14.666 1.00 1.02 H new ATOM 0 HA GLN A 103 -1.533 -10.630 -15.715 1.00 1.23 H new ATOM 0 HB2 GLN A 103 -0.186 -12.685 -15.856 1.00 12.22 H new ATOM 0 HB3 GLN A 103 -1.093 -12.620 -14.358 1.00 12.22 H new ATOM 0 HG2 GLN A 103 -2.810 -13.971 -16.097 1.00 73.53 H new ATOM 0 HG3 GLN A 103 -1.224 -14.565 -16.548 1.00 73.53 H new ATOM 0 HE21 GLN A 103 -2.572 -13.535 -13.371 1.00 53.53 H new ATOM 0 HE22 GLN A 103 -2.271 -15.072 -12.554 1.00 53.53 H new ATOM 1578 N GLU A 104 -3.065 -12.393 -18.013 1.00 52.51 N ATOM 1579 CA GLU A 104 -3.238 -12.554 -19.452 1.00 52.40 C ATOM 1580 C GLU A 104 -3.415 -11.200 -20.134 1.00 12.13 C ATOM 1581 O GLU A 104 -3.109 -11.044 -21.315 1.00 54.44 O ATOM 1582 CB GLU A 104 -4.445 -13.447 -19.746 1.00 54.32 C ATOM 1583 CG GLU A 104 -4.484 -14.714 -18.908 1.00 41.41 C ATOM 1584 CD GLU A 104 -3.218 -15.538 -19.039 1.00 31.21 C ATOM 1585 OE1 GLU A 104 -2.161 -15.083 -18.554 1.00 13.34 O ATOM 1586 OE2 GLU A 104 -3.284 -16.638 -19.626 1.00 61.13 O ATOM 0 H GLU A 104 -3.751 -12.892 -17.447 1.00 52.51 H new ATOM 0 HA GLU A 104 -2.340 -13.027 -19.849 1.00 52.40 H new ATOM 0 HB2 GLU A 104 -5.358 -12.878 -19.572 1.00 54.32 H new ATOM 0 HB3 GLU A 104 -4.436 -13.720 -20.801 1.00 54.32 H new ATOM 0 HG2 GLU A 104 -4.634 -14.449 -17.861 1.00 41.41 H new ATOM 0 HG3 GLU A 104 -5.340 -15.318 -19.209 1.00 41.41 H new ATOM 1593 N MET A 105 -3.912 -10.225 -19.379 1.00 44.45 N ATOM 1594 CA MET A 105 -4.129 -8.884 -19.910 1.00 41.13 C ATOM 1595 C MET A 105 -2.871 -8.033 -19.769 1.00 1.30 C ATOM 1596 O MET A 105 -2.725 -7.007 -20.434 1.00 15.11 O ATOM 1597 CB MET A 105 -5.298 -8.210 -19.190 1.00 32.25 C ATOM 1598 CG MET A 105 -4.885 -7.453 -17.938 1.00 54.40 C ATOM 1599 SD MET A 105 -4.753 -5.676 -18.214 1.00 11.43 S ATOM 1600 CE MET A 105 -6.438 -5.278 -18.671 1.00 55.43 C ATOM 0 H MET A 105 -4.172 -10.338 -18.399 1.00 44.45 H new ATOM 0 HA MET A 105 -4.368 -8.974 -20.970 1.00 41.13 H new ATOM 0 HB2 MET A 105 -5.788 -7.520 -19.877 1.00 32.25 H new ATOM 0 HB3 MET A 105 -6.034 -8.968 -18.921 1.00 32.25 H new ATOM 0 HG2 MET A 105 -5.612 -7.641 -17.148 1.00 54.40 H new ATOM 0 HG3 MET A 105 -3.926 -7.835 -17.587 1.00 54.40 H new ATOM 0 HE1 MET A 105 -6.440 -4.739 -19.618 1.00 55.43 H new ATOM 0 HE2 MET A 105 -7.014 -6.198 -18.775 1.00 55.43 H new ATOM 0 HE3 MET A 105 -6.887 -4.655 -17.898 1.00 55.43 H new ATOM 1610 N VAL A 106 -1.964 -8.465 -18.898 1.00 50.24 N ATOM 1611 CA VAL A 106 -0.718 -7.743 -18.671 1.00 10.34 C ATOM 1612 C VAL A 106 0.302 -8.050 -19.761 1.00 42.30 C ATOM 1613 O VAL A 106 0.517 -7.245 -20.667 1.00 5.22 O ATOM 1614 CB VAL A 106 -0.109 -8.093 -17.300 1.00 11.42 C ATOM 1615 CG1 VAL A 106 1.027 -7.139 -16.961 1.00 33.31 C ATOM 1616 CG2 VAL A 106 -1.179 -8.065 -16.219 1.00 74.52 C ATOM 0 H VAL A 106 -2.069 -9.311 -18.338 1.00 50.24 H new ATOM 0 HA VAL A 106 -0.959 -6.680 -18.693 1.00 10.34 H new ATOM 0 HB VAL A 106 0.299 -9.103 -17.350 1.00 11.42 H new ATOM 0 HG11 VAL A 106 1.445 -7.402 -15.989 1.00 33.31 H new ATOM 0 HG12 VAL A 106 1.804 -7.213 -17.722 1.00 33.31 H new ATOM 0 HG13 VAL A 106 0.647 -6.118 -16.929 1.00 33.31 H new ATOM 0 HG21 VAL A 106 -0.731 -8.315 -15.257 1.00 74.52 H new ATOM 0 HG22 VAL A 106 -1.618 -7.069 -16.167 1.00 74.52 H new ATOM 0 HG23 VAL A 106 -1.956 -8.792 -16.457 1.00 74.52 H new ATOM 1626 N GLN A 107 0.927 -9.219 -19.667 1.00 31.00 N ATOM 1627 CA GLN A 107 1.925 -9.632 -20.646 1.00 63.12 C ATOM 1628 C GLN A 107 1.405 -9.442 -22.067 1.00 45.52 C ATOM 1629 O GLN A 107 2.169 -9.133 -22.982 1.00 2.21 O ATOM 1630 CB GLN A 107 2.313 -11.095 -20.424 1.00 62.02 C ATOM 1631 CG GLN A 107 3.152 -11.319 -19.177 1.00 25.42 C ATOM 1632 CD GLN A 107 2.661 -12.487 -18.345 1.00 35.24 C ATOM 1633 OE1 GLN A 107 3.299 -13.539 -18.291 1.00 52.22 O ATOM 1634 NE2 GLN A 107 1.520 -12.308 -17.689 1.00 74.31 N ATOM 0 H GLN A 107 0.760 -9.897 -18.923 1.00 31.00 H new ATOM 0 HA GLN A 107 2.807 -9.005 -20.515 1.00 63.12 H new ATOM 0 HB2 GLN A 107 1.406 -11.696 -20.355 1.00 62.02 H new ATOM 0 HB3 GLN A 107 2.866 -11.451 -21.293 1.00 62.02 H new ATOM 0 HG2 GLN A 107 4.188 -11.495 -19.467 1.00 25.42 H new ATOM 0 HG3 GLN A 107 3.141 -10.415 -18.569 1.00 25.42 H new ATOM 0 HE21 GLN A 107 1.024 -11.420 -17.762 1.00 74.31 H new ATOM 0 HE22 GLN A 107 1.140 -13.059 -17.112 1.00 74.31 H new ATOM 1643 N SER A 108 0.101 -9.628 -22.245 1.00 45.01 N ATOM 1644 CA SER A 108 -0.520 -9.481 -23.556 1.00 0.30 C ATOM 1645 C SER A 108 -0.085 -8.178 -24.220 1.00 65.13 C ATOM 1646 O SER A 108 0.531 -8.189 -25.285 1.00 1.40 O ATOM 1647 CB SER A 108 -2.044 -9.517 -23.428 1.00 51.52 C ATOM 1648 OG SER A 108 -2.662 -8.836 -24.507 1.00 34.43 O ATOM 0 H SER A 108 -0.546 -9.881 -21.498 1.00 45.01 H new ATOM 0 HA SER A 108 -0.195 -10.313 -24.180 1.00 0.30 H new ATOM 0 HB2 SER A 108 -2.386 -10.552 -23.403 1.00 51.52 H new ATOM 0 HB3 SER A 108 -2.344 -9.059 -22.485 1.00 51.52 H new ATOM 0 HG SER A 108 -3.636 -8.874 -24.403 1.00 34.43 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -14.005 -9.534 -5.131 1.00 51.12 CA HETATM 1656 CA CA A 110 -13.982 -13.188 -15.560 1.00 13.33 CA