USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 25 GLN : amide:sc= -6.31! C(o=-5.9!,f=-11!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -167:sc= 0.38 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00896 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.599 K(o=-0.6,f=-2.5!) USER MOD Single : A 16 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.247 (180deg=-1.6!) USER MOD Single : A 27 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.598 K(o=-0.6,f=-0.059) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0374 (180deg=-0.285) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0167 (180deg=-0.168) USER MOD Single : A 55 GLN : amide:sc= -0.627 K(o=-0.63,f=-5!) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0.79 (180deg=0.265) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= -0.154 (180deg=-0.695) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.857 9.571 -9.960 1.00 0.00 N ATOM 2 CA GLY A 1 -18.808 8.586 -9.769 1.00 0.00 C ATOM 3 C GLY A 1 -18.163 8.167 -11.075 1.00 0.00 C ATOM 4 O GLY A 1 -18.831 8.075 -12.105 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.639 9.378 -9.302 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.478 10.522 -9.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.207 9.520 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.046 8.995 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.224 7.708 -9.274 1.00 0.00 H new ATOM 8 N SER A 2 -16.858 7.915 -11.035 1.00 0.00 N ATOM 9 CA SER A 2 -16.121 7.509 -12.225 1.00 0.00 C ATOM 10 C SER A 2 -15.792 6.020 -12.180 1.00 0.00 C ATOM 11 O SER A 2 -15.706 5.425 -11.106 1.00 0.00 O ATOM 12 CB SER A 2 -14.832 8.323 -12.355 1.00 0.00 C ATOM 13 OG SER A 2 -14.054 7.875 -13.451 1.00 0.00 O ATOM 0 H SER A 2 -16.290 7.985 -10.191 1.00 0.00 H new ATOM 0 HA SER A 2 -16.752 7.698 -13.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.076 9.377 -12.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.252 8.241 -11.436 1.00 0.00 H new ATOM 0 HG SER A 2 -13.237 8.412 -13.513 1.00 0.00 H new ATOM 19 N SER A 3 -15.611 5.424 -13.354 1.00 0.00 N ATOM 20 CA SER A 3 -15.296 4.003 -13.450 1.00 0.00 C ATOM 21 C SER A 3 -13.799 3.792 -13.657 1.00 0.00 C ATOM 22 O SER A 3 -13.137 3.137 -12.853 1.00 0.00 O ATOM 23 CB SER A 3 -16.077 3.363 -14.598 1.00 0.00 C ATOM 24 OG SER A 3 -15.717 2.002 -14.763 1.00 0.00 O ATOM 0 H SER A 3 -15.677 5.903 -14.252 1.00 0.00 H new ATOM 0 HA SER A 3 -15.586 3.527 -12.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.146 3.438 -14.401 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.884 3.908 -15.522 1.00 0.00 H new ATOM 0 HG SER A 3 -16.231 1.615 -15.502 1.00 0.00 H new ATOM 30 N GLY A 4 -13.273 4.352 -14.742 1.00 0.00 N ATOM 31 CA GLY A 4 -11.859 4.213 -15.036 1.00 0.00 C ATOM 32 C GLY A 4 -11.547 4.439 -16.502 1.00 0.00 C ATOM 33 O GLY A 4 -10.724 3.734 -17.085 1.00 0.00 O ATOM 0 H GLY A 4 -13.801 4.899 -15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.294 4.924 -14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.527 3.216 -14.747 1.00 0.00 H new ATOM 37 N SER A 5 -12.208 5.425 -17.101 1.00 0.00 N ATOM 38 CA SER A 5 -12.001 5.739 -18.510 1.00 0.00 C ATOM 39 C SER A 5 -11.776 7.235 -18.706 1.00 0.00 C ATOM 40 O SER A 5 -12.533 8.060 -18.194 1.00 0.00 O ATOM 41 CB SER A 5 -13.202 5.279 -19.338 1.00 0.00 C ATOM 42 OG SER A 5 -13.495 3.914 -19.097 1.00 0.00 O ATOM 0 H SER A 5 -12.891 6.020 -16.632 1.00 0.00 H new ATOM 0 HA SER A 5 -11.111 5.209 -18.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.071 5.889 -19.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.996 5.428 -20.398 1.00 0.00 H new ATOM 0 HG SER A 5 -14.267 3.645 -19.637 1.00 0.00 H new ATOM 48 N SER A 6 -10.730 7.577 -19.451 1.00 0.00 N ATOM 49 CA SER A 6 -10.402 8.974 -19.713 1.00 0.00 C ATOM 50 C SER A 6 -10.154 9.727 -18.410 1.00 0.00 C ATOM 51 O SER A 6 -10.634 10.845 -18.225 1.00 0.00 O ATOM 52 CB SER A 6 -11.530 9.646 -20.497 1.00 0.00 C ATOM 53 OG SER A 6 -11.708 9.033 -21.762 1.00 0.00 O ATOM 0 H SER A 6 -10.095 6.906 -19.884 1.00 0.00 H new ATOM 0 HA SER A 6 -9.489 9.002 -20.308 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.458 9.588 -19.928 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.304 10.704 -20.631 1.00 0.00 H new ATOM 0 HG SER A 6 -12.436 9.480 -22.243 1.00 0.00 H new ATOM 59 N GLY A 7 -9.401 9.105 -17.507 1.00 0.00 N ATOM 60 CA GLY A 7 -9.102 9.730 -16.232 1.00 0.00 C ATOM 61 C GLY A 7 -7.797 10.500 -16.256 1.00 0.00 C ATOM 62 O GLY A 7 -6.928 10.241 -17.090 1.00 0.00 O ATOM 0 H GLY A 7 -8.993 8.179 -17.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.914 10.405 -15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.054 8.964 -15.458 1.00 0.00 H new ATOM 66 N THR A 8 -7.657 11.453 -15.339 1.00 0.00 N ATOM 67 CA THR A 8 -6.450 12.266 -15.260 1.00 0.00 C ATOM 68 C THR A 8 -5.668 11.966 -13.986 1.00 0.00 C ATOM 69 O THR A 8 -6.251 11.678 -12.940 1.00 0.00 O ATOM 70 CB THR A 8 -6.781 13.769 -15.304 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.574 14.538 -15.254 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.685 14.159 -14.145 1.00 0.00 C ATOM 0 H THR A 8 -8.365 11.680 -14.641 1.00 0.00 H new ATOM 0 HA THR A 8 -5.840 12.011 -16.126 1.00 0.00 H new ATOM 0 HB THR A 8 -7.305 13.976 -16.237 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.793 15.493 -15.284 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.905 15.225 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.615 13.594 -14.203 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.184 13.938 -13.203 1.00 0.00 H new ATOM 80 N THR A 9 -4.344 12.038 -14.079 1.00 0.00 N ATOM 81 CA THR A 9 -3.482 11.774 -12.933 1.00 0.00 C ATOM 82 C THR A 9 -3.208 13.050 -12.146 1.00 0.00 C ATOM 83 O THR A 9 -2.522 13.952 -12.627 1.00 0.00 O ATOM 84 CB THR A 9 -2.141 11.156 -13.370 1.00 0.00 C ATOM 85 OG1 THR A 9 -2.375 10.033 -14.227 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.328 10.717 -12.161 1.00 0.00 C ATOM 0 H THR A 9 -3.845 12.277 -14.936 1.00 0.00 H new ATOM 0 HA THR A 9 -4.011 11.064 -12.297 1.00 0.00 H new ATOM 0 HB THR A 9 -1.576 11.914 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.517 9.647 -14.502 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.385 10.284 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.126 11.579 -11.526 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.889 9.973 -11.596 1.00 0.00 H new ATOM 94 N ALA A 10 -3.748 13.120 -10.933 1.00 0.00 N ATOM 95 CA ALA A 10 -3.559 14.285 -10.079 1.00 0.00 C ATOM 96 C ALA A 10 -2.625 13.967 -8.915 1.00 0.00 C ATOM 97 O ALA A 10 -2.392 12.802 -8.593 1.00 0.00 O ATOM 98 CB ALA A 10 -4.900 14.783 -9.560 1.00 0.00 C ATOM 0 H ALA A 10 -4.320 12.383 -10.520 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.098 15.071 -10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.743 15.654 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.536 15.058 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.383 13.994 -8.983 1.00 0.00 H new ATOM 104 N LYS A 11 -2.092 15.010 -8.288 1.00 0.00 N ATOM 105 CA LYS A 11 -1.184 14.843 -7.160 1.00 0.00 C ATOM 106 C LYS A 11 -1.935 14.951 -5.837 1.00 0.00 C ATOM 107 O LYS A 11 -2.118 13.969 -5.117 1.00 0.00 O ATOM 108 CB LYS A 11 -0.071 15.892 -7.215 1.00 0.00 C ATOM 109 CG LYS A 11 1.212 15.386 -7.851 1.00 0.00 C ATOM 110 CD LYS A 11 1.168 15.504 -9.365 1.00 0.00 C ATOM 111 CE LYS A 11 2.405 14.895 -10.007 1.00 0.00 C ATOM 112 NZ LYS A 11 3.569 15.824 -9.960 1.00 0.00 N ATOM 0 H LYS A 11 -2.274 15.981 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.741 13.849 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.427 16.758 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.145 16.233 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.059 15.954 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.372 14.345 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.276 15.005 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.090 16.554 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.660 13.967 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.187 14.638 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.392 15.372 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.335 16.700 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.794 16.049 -8.970 1.00 0.00 H new ATOM 126 N PRO A 12 -2.381 16.172 -5.507 1.00 0.00 N ATOM 127 CA PRO A 12 -3.121 16.437 -4.269 1.00 0.00 C ATOM 128 C PRO A 12 -4.517 15.824 -4.286 1.00 0.00 C ATOM 129 O PRO A 12 -5.083 15.520 -3.236 1.00 0.00 O ATOM 130 CB PRO A 12 -3.208 17.965 -4.228 1.00 0.00 C ATOM 131 CG PRO A 12 -3.104 18.389 -5.652 1.00 0.00 C ATOM 132 CD PRO A 12 -2.198 17.388 -6.317 1.00 0.00 C ATOM 0 HA PRO A 12 -2.630 16.001 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.147 18.296 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.404 18.391 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.085 18.404 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.696 19.397 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.476 17.223 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.160 17.721 -6.314 1.00 0.00 H new ATOM 140 N GLN A 13 -5.065 15.644 -5.483 1.00 0.00 N ATOM 141 CA GLN A 13 -6.396 15.067 -5.635 1.00 0.00 C ATOM 142 C GLN A 13 -6.351 13.551 -5.484 1.00 0.00 C ATOM 143 O GLN A 13 -7.110 12.974 -4.704 1.00 0.00 O ATOM 144 CB GLN A 13 -6.983 15.439 -6.998 1.00 0.00 C ATOM 145 CG GLN A 13 -7.797 16.722 -6.980 1.00 0.00 C ATOM 146 CD GLN A 13 -6.933 17.960 -6.845 1.00 0.00 C ATOM 147 OE1 GLN A 13 -6.528 18.561 -7.840 1.00 0.00 O ATOM 148 NE2 GLN A 13 -6.646 18.350 -5.608 1.00 0.00 N ATOM 0 H GLN A 13 -4.609 15.889 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.034 15.473 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.171 15.544 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.615 14.622 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.381 16.790 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.506 16.686 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.003 17.822 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.069 19.177 -5.455 1.00 0.00 H new ATOM 157 N GLN A 14 -5.460 12.911 -6.234 1.00 0.00 N ATOM 158 CA GLN A 14 -5.318 11.461 -6.182 1.00 0.00 C ATOM 159 C GLN A 14 -5.208 10.975 -4.741 1.00 0.00 C ATOM 160 O GLN A 14 -5.570 9.840 -4.429 1.00 0.00 O ATOM 161 CB GLN A 14 -4.089 11.019 -6.977 1.00 0.00 C ATOM 162 CG GLN A 14 -2.774 11.274 -6.257 1.00 0.00 C ATOM 163 CD GLN A 14 -1.678 10.319 -6.687 1.00 0.00 C ATOM 164 OE1 GLN A 14 -1.913 9.397 -7.469 1.00 0.00 O ATOM 165 NE2 GLN A 14 -0.472 10.534 -6.176 1.00 0.00 N ATOM 0 H GLN A 14 -4.826 13.374 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.209 11.018 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.173 9.955 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.078 11.542 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.453 12.298 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.929 11.182 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.322 11.310 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.305 9.923 -6.428 1.00 0.00 H new ATOM 174 N ILE A 15 -4.706 11.841 -3.867 1.00 0.00 N ATOM 175 CA ILE A 15 -4.549 11.500 -2.459 1.00 0.00 C ATOM 176 C ILE A 15 -5.813 10.847 -1.907 1.00 0.00 C ATOM 177 O ILE A 15 -5.752 9.799 -1.266 1.00 0.00 O ATOM 178 CB ILE A 15 -4.215 12.742 -1.612 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.870 13.332 -2.042 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.195 12.386 -0.133 1.00 0.00 C ATOM 181 CD1 ILE A 15 -2.590 14.693 -1.446 1.00 0.00 C ATOM 0 H ILE A 15 -4.401 12.784 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.721 10.794 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.989 13.493 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.073 12.647 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.847 13.408 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.957 13.275 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.173 12.007 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.440 11.621 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.621 15.050 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.367 15.392 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.581 14.619 -0.359 1.00 0.00 H new ATOM 193 N GLN A 16 -6.956 11.475 -2.162 1.00 0.00 N ATOM 194 CA GLN A 16 -8.234 10.955 -1.692 1.00 0.00 C ATOM 195 C GLN A 16 -8.435 9.513 -2.146 1.00 0.00 C ATOM 196 O GLN A 16 -9.036 8.707 -1.437 1.00 0.00 O ATOM 197 CB GLN A 16 -9.383 11.827 -2.202 1.00 0.00 C ATOM 198 CG GLN A 16 -10.722 11.508 -1.557 1.00 0.00 C ATOM 199 CD GLN A 16 -10.805 11.981 -0.119 1.00 0.00 C ATOM 200 OE1 GLN A 16 -10.978 13.171 0.146 1.00 0.00 O ATOM 201 NE2 GLN A 16 -10.682 11.049 0.819 1.00 0.00 N ATOM 0 H GLN A 16 -7.023 12.344 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.227 10.976 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.142 12.874 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.470 11.703 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.520 11.974 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.890 10.432 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.540 10.074 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.730 11.308 1.804 1.00 0.00 H new ATOM 210 N ALA A 17 -7.929 9.195 -3.333 1.00 0.00 N ATOM 211 CA ALA A 17 -8.051 7.850 -3.881 1.00 0.00 C ATOM 212 C ALA A 17 -7.121 6.878 -3.163 1.00 0.00 C ATOM 213 O ALA A 17 -7.533 5.787 -2.766 1.00 0.00 O ATOM 214 CB ALA A 17 -7.758 7.860 -5.374 1.00 0.00 C ATOM 0 H ALA A 17 -7.430 9.851 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.076 7.512 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.853 6.849 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.467 8.516 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.744 8.222 -5.543 1.00 0.00 H new ATOM 220 N LEU A 18 -5.865 7.280 -3.000 1.00 0.00 N ATOM 221 CA LEU A 18 -4.875 6.443 -2.330 1.00 0.00 C ATOM 222 C LEU A 18 -5.307 6.126 -0.902 1.00 0.00 C ATOM 223 O LEU A 18 -5.438 4.961 -0.528 1.00 0.00 O ATOM 224 CB LEU A 18 -3.513 7.140 -2.320 1.00 0.00 C ATOM 225 CG LEU A 18 -2.906 7.446 -3.690 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.838 8.523 -3.571 1.00 0.00 C ATOM 227 CD2 LEU A 18 -2.326 6.183 -4.310 1.00 0.00 C ATOM 0 H LEU A 18 -5.508 8.180 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.794 5.506 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.610 8.076 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.812 6.516 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.696 7.817 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.417 8.728 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.283 9.434 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.048 8.180 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.898 6.419 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.548 5.783 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.115 5.441 -4.431 1.00 0.00 H new ATOM 239 N MET A 19 -5.529 7.170 -0.111 1.00 0.00 N ATOM 240 CA MET A 19 -5.951 7.002 1.275 1.00 0.00 C ATOM 241 C MET A 19 -6.890 5.809 1.417 1.00 0.00 C ATOM 242 O MET A 19 -6.618 4.880 2.177 1.00 0.00 O ATOM 243 CB MET A 19 -6.640 8.272 1.779 1.00 0.00 C ATOM 244 CG MET A 19 -5.763 9.511 1.702 1.00 0.00 C ATOM 245 SD MET A 19 -6.720 11.032 1.566 1.00 0.00 S ATOM 246 CE MET A 19 -6.832 11.517 3.287 1.00 0.00 C ATOM 0 H MET A 19 -5.424 8.141 -0.405 1.00 0.00 H new ATOM 0 HA MET A 19 -5.063 6.816 1.879 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.545 8.441 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.951 8.121 2.813 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.133 9.561 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.097 9.427 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.398 12.445 3.367 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.336 10.734 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.830 11.667 3.689 1.00 0.00 H new ATOM 256 N ASP A 20 -7.996 5.842 0.681 1.00 0.00 N ATOM 257 CA ASP A 20 -8.975 4.762 0.724 1.00 0.00 C ATOM 258 C ASP A 20 -8.297 3.406 0.559 1.00 0.00 C ATOM 259 O ASP A 20 -8.568 2.470 1.311 1.00 0.00 O ATOM 260 CB ASP A 20 -10.029 4.956 -0.367 1.00 0.00 C ATOM 261 CG ASP A 20 -11.126 3.913 -0.305 1.00 0.00 C ATOM 262 OD1 ASP A 20 -11.819 3.841 0.732 1.00 0.00 O ATOM 263 OD2 ASP A 20 -11.293 3.168 -1.293 1.00 0.00 O ATOM 0 H ASP A 20 -8.237 6.605 0.048 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.463 4.787 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.469 5.948 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.548 4.915 -1.344 1.00 0.00 H new ATOM 268 N GLU A 21 -7.415 3.308 -0.432 1.00 0.00 N ATOM 269 CA GLU A 21 -6.700 2.065 -0.697 1.00 0.00 C ATOM 270 C GLU A 21 -6.057 1.525 0.578 1.00 0.00 C ATOM 271 O GLU A 21 -6.234 0.358 0.929 1.00 0.00 O ATOM 272 CB GLU A 21 -5.630 2.285 -1.768 1.00 0.00 C ATOM 273 CG GLU A 21 -6.183 2.808 -3.083 1.00 0.00 C ATOM 274 CD GLU A 21 -7.055 1.792 -3.794 1.00 0.00 C ATOM 275 OE1 GLU A 21 -6.498 0.913 -4.486 1.00 0.00 O ATOM 276 OE2 GLU A 21 -8.294 1.875 -3.660 1.00 0.00 O ATOM 0 H GLU A 21 -7.179 4.074 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.420 1.331 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.889 2.989 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.112 1.344 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.763 3.711 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.356 3.090 -3.734 1.00 0.00 H new ATOM 283 N VAL A 22 -5.309 2.382 1.265 1.00 0.00 N ATOM 284 CA VAL A 22 -4.640 1.993 2.500 1.00 0.00 C ATOM 285 C VAL A 22 -5.626 1.390 3.494 1.00 0.00 C ATOM 286 O VAL A 22 -5.287 0.477 4.248 1.00 0.00 O ATOM 287 CB VAL A 22 -3.934 3.193 3.159 1.00 0.00 C ATOM 288 CG1 VAL A 22 -3.300 2.782 4.479 1.00 0.00 C ATOM 289 CG2 VAL A 22 -2.893 3.780 2.217 1.00 0.00 C ATOM 0 H VAL A 22 -5.151 3.351 0.987 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.895 1.244 2.232 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.678 3.962 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.806 3.643 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.072 2.413 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.567 1.995 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.404 4.627 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.150 3.020 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.379 4.114 1.301 1.00 0.00 H new ATOM 299 N THR A 23 -6.852 1.906 3.490 1.00 0.00 N ATOM 300 CA THR A 23 -7.889 1.419 4.391 1.00 0.00 C ATOM 301 C THR A 23 -8.436 0.075 3.925 1.00 0.00 C ATOM 302 O THR A 23 -8.330 -0.929 4.631 1.00 0.00 O ATOM 303 CB THR A 23 -9.052 2.423 4.503 1.00 0.00 C ATOM 304 OG1 THR A 23 -8.585 3.653 5.069 1.00 0.00 O ATOM 305 CG2 THR A 23 -10.173 1.858 5.361 1.00 0.00 C ATOM 0 H THR A 23 -7.150 2.661 2.873 1.00 0.00 H new ATOM 0 HA THR A 23 -7.426 1.299 5.370 1.00 0.00 H new ATOM 0 HB THR A 23 -9.440 2.609 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.330 4.286 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.983 2.584 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.546 0.937 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.795 1.647 6.361 1.00 0.00 H new ATOM 313 N LYS A 24 -9.021 0.061 2.732 1.00 0.00 N ATOM 314 CA LYS A 24 -9.583 -1.161 2.170 1.00 0.00 C ATOM 315 C LYS A 24 -8.572 -2.302 2.226 1.00 0.00 C ATOM 316 O LYS A 24 -8.837 -3.349 2.814 1.00 0.00 O ATOM 317 CB LYS A 24 -10.023 -0.926 0.723 1.00 0.00 C ATOM 318 CG LYS A 24 -10.410 -2.199 -0.010 1.00 0.00 C ATOM 319 CD LYS A 24 -11.375 -1.915 -1.148 1.00 0.00 C ATOM 320 CE LYS A 24 -10.644 -1.438 -2.394 1.00 0.00 C ATOM 321 NZ LYS A 24 -10.171 -0.033 -2.255 1.00 0.00 N ATOM 0 H LYS A 24 -9.118 0.883 2.136 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.451 -1.439 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.871 -0.241 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.214 -0.436 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.514 -2.680 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.867 -2.898 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.941 -2.817 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.095 -1.159 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.793 -2.090 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.307 -1.515 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.249 0.452 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.755 0.462 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.178 -0.030 -1.945 1.00 0.00 H new ATOM 335 N GLN A 25 -7.413 -2.089 1.612 1.00 0.00 N ATOM 336 CA GLN A 25 -6.362 -3.100 1.593 1.00 0.00 C ATOM 337 C GLN A 25 -6.258 -3.802 2.943 1.00 0.00 C ATOM 338 O GLN A 25 -6.250 -5.031 3.016 1.00 0.00 O ATOM 339 CB GLN A 25 -5.019 -2.463 1.232 1.00 0.00 C ATOM 340 CG GLN A 25 -3.982 -3.464 0.746 1.00 0.00 C ATOM 341 CD GLN A 25 -4.483 -4.310 -0.407 1.00 0.00 C ATOM 342 OE1 GLN A 25 -5.213 -3.829 -1.274 1.00 0.00 O ATOM 343 NE2 GLN A 25 -4.093 -5.579 -0.424 1.00 0.00 N ATOM 0 H GLN A 25 -7.178 -1.226 1.121 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.620 -3.842 0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.179 -1.713 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.627 -1.941 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.084 -2.929 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.696 -4.115 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.487 -5.936 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.399 -6.197 -1.176 1.00 0.00 H new ATOM 352 N GLY A 26 -6.180 -3.014 4.010 1.00 0.00 N ATOM 353 CA GLY A 26 -6.077 -3.578 5.344 1.00 0.00 C ATOM 354 C GLY A 26 -7.174 -4.584 5.633 1.00 0.00 C ATOM 355 O GLY A 26 -6.904 -5.689 6.101 1.00 0.00 O ATOM 0 H GLY A 26 -6.186 -1.995 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.106 -4.061 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.122 -2.775 6.079 1.00 0.00 H new ATOM 359 N ASN A 27 -8.416 -4.200 5.356 1.00 0.00 N ATOM 360 CA ASN A 27 -9.558 -5.076 5.592 1.00 0.00 C ATOM 361 C ASN A 27 -9.391 -6.398 4.849 1.00 0.00 C ATOM 362 O ASN A 27 -9.595 -7.471 5.418 1.00 0.00 O ATOM 363 CB ASN A 27 -10.852 -4.390 5.151 1.00 0.00 C ATOM 364 CG ASN A 27 -10.934 -2.951 5.624 1.00 0.00 C ATOM 365 OD1 ASN A 27 -10.306 -2.574 6.613 1.00 0.00 O ATOM 366 ND2 ASN A 27 -11.711 -2.139 4.916 1.00 0.00 N ATOM 0 H ASN A 27 -8.657 -3.288 4.968 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.611 -5.284 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.922 -4.417 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.705 -4.946 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.805 -1.160 5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.214 -2.495 4.103 1.00 0.00 H new ATOM 373 N ILE A 28 -9.020 -6.313 3.576 1.00 0.00 N ATOM 374 CA ILE A 28 -8.824 -7.502 2.757 1.00 0.00 C ATOM 375 C ILE A 28 -7.877 -8.487 3.434 1.00 0.00 C ATOM 376 O ILE A 28 -8.251 -9.622 3.730 1.00 0.00 O ATOM 377 CB ILE A 28 -8.266 -7.143 1.367 1.00 0.00 C ATOM 378 CG1 ILE A 28 -9.300 -6.346 0.569 1.00 0.00 C ATOM 379 CG2 ILE A 28 -7.866 -8.403 0.615 1.00 0.00 C ATOM 380 CD1 ILE A 28 -8.768 -5.811 -0.743 1.00 0.00 C ATOM 0 H ILE A 28 -8.849 -5.433 3.090 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.803 -7.967 2.638 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.378 -6.524 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.163 -6.982 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.652 -5.512 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.474 -8.133 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.100 -8.935 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.738 -9.046 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.554 -5.257 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.924 -5.149 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.442 -6.642 -1.369 1.00 0.00 H new ATOM 392 N VAL A 29 -6.647 -8.044 3.678 1.00 0.00 N ATOM 393 CA VAL A 29 -5.646 -8.885 4.323 1.00 0.00 C ATOM 394 C VAL A 29 -6.238 -9.628 5.516 1.00 0.00 C ATOM 395 O VAL A 29 -6.053 -10.836 5.662 1.00 0.00 O ATOM 396 CB VAL A 29 -4.438 -8.056 4.797 1.00 0.00 C ATOM 397 CG1 VAL A 29 -3.458 -8.930 5.564 1.00 0.00 C ATOM 398 CG2 VAL A 29 -3.755 -7.387 3.614 1.00 0.00 C ATOM 0 H VAL A 29 -6.321 -7.108 3.439 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.312 -9.607 3.578 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.796 -7.277 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.611 -8.327 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.956 -9.358 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.104 -9.733 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.903 -6.805 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.409 -8.149 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.462 -6.727 3.111 1.00 0.00 H new ATOM 408 N ARG A 30 -6.952 -8.897 6.366 1.00 0.00 N ATOM 409 CA ARG A 30 -7.571 -9.486 7.547 1.00 0.00 C ATOM 410 C ARG A 30 -8.453 -10.672 7.164 1.00 0.00 C ATOM 411 O ARG A 30 -8.377 -11.736 7.777 1.00 0.00 O ATOM 412 CB ARG A 30 -8.402 -8.439 8.290 1.00 0.00 C ATOM 413 CG ARG A 30 -9.194 -9.005 9.457 1.00 0.00 C ATOM 414 CD ARG A 30 -10.584 -9.446 9.025 1.00 0.00 C ATOM 415 NE ARG A 30 -11.267 -10.204 10.069 1.00 0.00 N ATOM 416 CZ ARG A 30 -11.787 -9.649 11.159 1.00 0.00 C ATOM 417 NH1 ARG A 30 -11.702 -8.339 11.345 1.00 0.00 N ATOM 418 NH2 ARG A 30 -12.394 -10.405 12.065 1.00 0.00 N ATOM 0 H ARG A 30 -7.116 -7.896 6.259 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.777 -9.842 8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.739 -7.656 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.091 -7.970 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.659 -9.853 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.277 -8.252 10.241 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.178 -8.570 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.507 -10.056 8.125 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.350 -11.214 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.237 -7.754 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.102 -7.916 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.462 -11.413 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.793 -9.978 12.901 1.00 0.00 H new ATOM 432 N GLU A 31 -9.288 -10.478 6.148 1.00 0.00 N ATOM 433 CA GLU A 31 -10.184 -11.532 5.685 1.00 0.00 C ATOM 434 C GLU A 31 -9.395 -12.752 5.221 1.00 0.00 C ATOM 435 O GLU A 31 -9.791 -13.892 5.467 1.00 0.00 O ATOM 436 CB GLU A 31 -11.066 -11.017 4.546 1.00 0.00 C ATOM 437 CG GLU A 31 -12.264 -10.211 5.021 1.00 0.00 C ATOM 438 CD GLU A 31 -11.882 -8.821 5.491 1.00 0.00 C ATOM 439 OE1 GLU A 31 -11.291 -8.707 6.585 1.00 0.00 O ATOM 440 OE2 GLU A 31 -12.174 -7.847 4.765 1.00 0.00 O ATOM 0 H GLU A 31 -9.363 -9.602 5.630 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.818 -11.828 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.463 -10.398 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.419 -11.865 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.988 -10.130 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.756 -10.743 5.835 1.00 0.00 H new ATOM 447 N LEU A 32 -8.277 -12.505 4.547 1.00 0.00 N ATOM 448 CA LEU A 32 -7.431 -13.583 4.046 1.00 0.00 C ATOM 449 C LEU A 32 -6.756 -14.325 5.196 1.00 0.00 C ATOM 450 O LEU A 32 -6.766 -15.555 5.246 1.00 0.00 O ATOM 451 CB LEU A 32 -6.373 -13.027 3.092 1.00 0.00 C ATOM 452 CG LEU A 32 -6.876 -12.053 2.026 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.713 -11.499 1.217 1.00 0.00 C ATOM 454 CD2 LEU A 32 -7.884 -12.736 1.113 1.00 0.00 C ATOM 0 H LEU A 32 -7.935 -11.568 4.335 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.064 -14.287 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.608 -12.524 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.889 -13.865 2.590 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.373 -11.222 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.091 -10.808 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.026 -10.973 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.188 -12.319 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.231 -12.028 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.412 -13.586 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.732 -13.084 1.703 1.00 0.00 H new ATOM 466 N LYS A 33 -6.173 -13.568 6.119 1.00 0.00 N ATOM 467 CA LYS A 33 -5.496 -14.152 7.271 1.00 0.00 C ATOM 468 C LYS A 33 -6.489 -14.871 8.179 1.00 0.00 C ATOM 469 O LYS A 33 -6.114 -15.759 8.944 1.00 0.00 O ATOM 470 CB LYS A 33 -4.760 -13.066 8.060 1.00 0.00 C ATOM 471 CG LYS A 33 -3.727 -12.313 7.241 1.00 0.00 C ATOM 472 CD LYS A 33 -2.636 -11.727 8.121 1.00 0.00 C ATOM 473 CE LYS A 33 -1.356 -11.484 7.335 1.00 0.00 C ATOM 474 NZ LYS A 33 -0.285 -10.897 8.187 1.00 0.00 N ATOM 0 H LYS A 33 -6.156 -12.549 6.092 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.772 -14.880 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.489 -12.356 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.268 -13.523 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.282 -12.986 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.215 -11.513 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.982 -10.789 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.432 -12.405 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.007 -12.425 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.564 -10.815 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.570 -10.747 7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.608 -9.987 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.068 -11.547 8.969 1.00 0.00 H new ATOM 488 N ALA A 34 -7.756 -14.482 8.087 1.00 0.00 N ATOM 489 CA ALA A 34 -8.803 -15.092 8.898 1.00 0.00 C ATOM 490 C ALA A 34 -9.492 -16.223 8.143 1.00 0.00 C ATOM 491 O ALA A 34 -10.179 -17.051 8.741 1.00 0.00 O ATOM 492 CB ALA A 34 -9.819 -14.043 9.324 1.00 0.00 C ATOM 0 H ALA A 34 -8.083 -13.747 7.459 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.339 -15.515 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.595 -14.512 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.321 -13.270 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.271 -13.594 8.440 1.00 0.00 H new ATOM 498 N GLN A 35 -9.304 -16.252 6.828 1.00 0.00 N ATOM 499 CA GLN A 35 -9.909 -17.283 5.993 1.00 0.00 C ATOM 500 C GLN A 35 -8.850 -18.240 5.455 1.00 0.00 C ATOM 501 O GLN A 35 -9.101 -18.997 4.518 1.00 0.00 O ATOM 502 CB GLN A 35 -10.673 -16.644 4.831 1.00 0.00 C ATOM 503 CG GLN A 35 -11.970 -15.972 5.252 1.00 0.00 C ATOM 504 CD GLN A 35 -12.931 -15.782 4.095 1.00 0.00 C ATOM 505 OE1 GLN A 35 -13.664 -16.699 3.725 1.00 0.00 O ATOM 506 NE2 GLN A 35 -12.932 -14.586 3.517 1.00 0.00 N ATOM 0 H GLN A 35 -8.738 -15.574 6.318 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.606 -17.851 6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.032 -15.907 4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.895 -17.410 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.451 -16.572 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.745 -15.002 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.307 -13.855 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.558 -14.399 2.733 1.00 0.00 H new ATOM 515 N LYS A 36 -7.665 -18.200 6.055 1.00 0.00 N ATOM 516 CA LYS A 36 -6.567 -19.064 5.638 1.00 0.00 C ATOM 517 C LYS A 36 -6.467 -19.121 4.117 1.00 0.00 C ATOM 518 O LYS A 36 -6.005 -20.113 3.553 1.00 0.00 O ATOM 519 CB LYS A 36 -6.758 -20.474 6.201 1.00 0.00 C ATOM 520 CG LYS A 36 -6.732 -20.532 7.718 1.00 0.00 C ATOM 521 CD LYS A 36 -6.386 -21.924 8.218 1.00 0.00 C ATOM 522 CE LYS A 36 -7.534 -22.897 7.994 1.00 0.00 C ATOM 523 NZ LYS A 36 -7.059 -24.306 7.914 1.00 0.00 N ATOM 0 H LYS A 36 -7.441 -17.578 6.832 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.640 -18.646 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.709 -20.872 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.975 -21.122 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.003 -19.817 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.704 -20.235 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.495 -22.286 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.146 -21.881 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.254 -22.802 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.056 -22.637 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.871 -24.938 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.391 -24.403 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.583 -24.563 8.802 1.00 0.00 H new ATOM 537 N ALA A 37 -6.902 -18.052 3.459 1.00 0.00 N ATOM 538 CA ALA A 37 -6.859 -17.980 2.004 1.00 0.00 C ATOM 539 C ALA A 37 -5.520 -18.478 1.469 1.00 0.00 C ATOM 540 O ALA A 37 -4.528 -18.521 2.197 1.00 0.00 O ATOM 541 CB ALA A 37 -7.118 -16.555 1.538 1.00 0.00 C ATOM 0 H ALA A 37 -7.289 -17.223 3.911 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.642 -18.628 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.083 -16.516 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.101 -16.233 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.356 -15.893 1.949 1.00 0.00 H new ATOM 547 N ASP A 38 -5.500 -18.854 0.196 1.00 0.00 N ATOM 548 CA ASP A 38 -4.282 -19.349 -0.436 1.00 0.00 C ATOM 549 C ASP A 38 -3.140 -18.350 -0.272 1.00 0.00 C ATOM 550 O ASP A 38 -3.327 -17.144 -0.433 1.00 0.00 O ATOM 551 CB ASP A 38 -4.527 -19.622 -1.921 1.00 0.00 C ATOM 552 CG ASP A 38 -3.543 -20.621 -2.496 1.00 0.00 C ATOM 553 OD1 ASP A 38 -2.324 -20.355 -2.437 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.991 -21.669 -3.005 1.00 0.00 O ATOM 0 H ASP A 38 -6.313 -18.826 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.000 -20.280 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.542 -19.997 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.457 -18.686 -2.476 1.00 0.00 H new ATOM 559 N LYS A 39 -1.957 -18.861 0.051 1.00 0.00 N ATOM 560 CA LYS A 39 -0.783 -18.016 0.237 1.00 0.00 C ATOM 561 C LYS A 39 -0.529 -17.158 -0.998 1.00 0.00 C ATOM 562 O LYS A 39 -0.186 -15.981 -0.888 1.00 0.00 O ATOM 563 CB LYS A 39 0.447 -18.875 0.537 1.00 0.00 C ATOM 564 CG LYS A 39 0.482 -19.414 1.956 1.00 0.00 C ATOM 565 CD LYS A 39 1.868 -19.913 2.329 1.00 0.00 C ATOM 566 CE LYS A 39 2.000 -20.122 3.830 1.00 0.00 C ATOM 567 NZ LYS A 39 1.564 -21.485 4.241 1.00 0.00 N ATOM 0 H LYS A 39 -1.786 -19.857 0.190 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.972 -17.356 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.474 -19.712 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.345 -18.283 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.177 -18.632 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.237 -20.227 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.070 -20.850 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.617 -19.196 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.037 -19.967 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.403 -19.376 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.669 -21.587 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.567 -21.624 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.151 -22.197 3.760 1.00 0.00 H new ATOM 581 N ASN A 40 -0.700 -17.754 -2.173 1.00 0.00 N ATOM 582 CA ASN A 40 -0.490 -17.044 -3.429 1.00 0.00 C ATOM 583 C ASN A 40 -1.430 -15.847 -3.541 1.00 0.00 C ATOM 584 O ASN A 40 -0.992 -14.722 -3.779 1.00 0.00 O ATOM 585 CB ASN A 40 -0.704 -17.986 -4.615 1.00 0.00 C ATOM 586 CG ASN A 40 -1.187 -17.257 -5.854 1.00 0.00 C ATOM 587 OD1 ASN A 40 -0.387 -16.765 -6.649 1.00 0.00 O ATOM 588 ND2 ASN A 40 -2.502 -17.185 -6.022 1.00 0.00 N ATOM 0 H ASN A 40 -0.984 -18.728 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 40 0.537 -16.680 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.231 -18.500 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.430 -18.751 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.887 -16.707 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.128 -17.608 -5.336 1.00 0.00 H new ATOM 595 N GLU A 41 -2.723 -16.099 -3.366 1.00 0.00 N ATOM 596 CA GLU A 41 -3.725 -15.042 -3.447 1.00 0.00 C ATOM 597 C GLU A 41 -3.413 -13.920 -2.460 1.00 0.00 C ATOM 598 O GLU A 41 -3.339 -12.750 -2.836 1.00 0.00 O ATOM 599 CB GLU A 41 -5.119 -15.607 -3.171 1.00 0.00 C ATOM 600 CG GLU A 41 -5.777 -16.229 -4.391 1.00 0.00 C ATOM 601 CD GLU A 41 -6.415 -15.196 -5.300 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.717 -14.688 -6.202 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.612 -14.896 -5.109 1.00 0.00 O ATOM 0 H GLU A 41 -3.102 -17.025 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.702 -14.631 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.048 -16.358 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.757 -14.808 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.032 -16.792 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.536 -16.941 -4.067 1.00 0.00 H new ATOM 610 N VAL A 42 -3.233 -14.286 -1.195 1.00 0.00 N ATOM 611 CA VAL A 42 -2.930 -13.313 -0.153 1.00 0.00 C ATOM 612 C VAL A 42 -1.679 -12.512 -0.497 1.00 0.00 C ATOM 613 O VAL A 42 -1.690 -11.282 -0.469 1.00 0.00 O ATOM 614 CB VAL A 42 -2.729 -13.996 1.212 1.00 0.00 C ATOM 615 CG1 VAL A 42 -2.447 -12.961 2.291 1.00 0.00 C ATOM 616 CG2 VAL A 42 -3.946 -14.835 1.572 1.00 0.00 C ATOM 0 H VAL A 42 -3.292 -15.250 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.785 -12.639 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.866 -14.659 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.308 -13.462 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.543 -12.407 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.288 -12.271 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.787 -15.311 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.827 -14.195 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.097 -15.601 0.812 1.00 0.00 H new ATOM 626 N ALA A 43 -0.601 -13.219 -0.822 1.00 0.00 N ATOM 627 CA ALA A 43 0.658 -12.574 -1.174 1.00 0.00 C ATOM 628 C ALA A 43 0.416 -11.303 -1.982 1.00 0.00 C ATOM 629 O ALA A 43 0.865 -10.221 -1.604 1.00 0.00 O ATOM 630 CB ALA A 43 1.544 -13.535 -1.952 1.00 0.00 C ATOM 0 H ALA A 43 -0.575 -14.238 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 43 1.166 -12.296 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.481 -13.040 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.753 -14.413 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.034 -13.842 -2.865 1.00 0.00 H new ATOM 636 N ALA A 44 -0.294 -11.442 -3.097 1.00 0.00 N ATOM 637 CA ALA A 44 -0.596 -10.304 -3.957 1.00 0.00 C ATOM 638 C ALA A 44 -1.065 -9.106 -3.138 1.00 0.00 C ATOM 639 O ALA A 44 -0.583 -7.989 -3.324 1.00 0.00 O ATOM 640 CB ALA A 44 -1.648 -10.686 -4.987 1.00 0.00 C ATOM 0 H ALA A 44 -0.671 -12.331 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 44 0.319 -10.020 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.864 -9.827 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.276 -11.507 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.559 -10.999 -4.477 1.00 0.00 H new ATOM 646 N GLU A 45 -2.008 -9.346 -2.233 1.00 0.00 N ATOM 647 CA GLU A 45 -2.543 -8.285 -1.388 1.00 0.00 C ATOM 648 C GLU A 45 -1.481 -7.777 -0.416 1.00 0.00 C ATOM 649 O GLU A 45 -1.347 -6.572 -0.200 1.00 0.00 O ATOM 650 CB GLU A 45 -3.762 -8.787 -0.611 1.00 0.00 C ATOM 651 CG GLU A 45 -4.875 -9.313 -1.501 1.00 0.00 C ATOM 652 CD GLU A 45 -5.148 -8.412 -2.689 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.354 -8.445 -3.653 1.00 0.00 O ATOM 654 OE2 GLU A 45 -6.155 -7.674 -2.656 1.00 0.00 O ATOM 0 H GLU A 45 -2.417 -10.265 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.846 -7.460 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.448 -9.578 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.152 -7.974 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.610 -10.308 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.786 -9.418 -0.913 1.00 0.00 H new ATOM 661 N VAL A 46 -0.730 -8.705 0.169 1.00 0.00 N ATOM 662 CA VAL A 46 0.320 -8.352 1.117 1.00 0.00 C ATOM 663 C VAL A 46 1.279 -7.329 0.520 1.00 0.00 C ATOM 664 O VAL A 46 1.490 -6.256 1.085 1.00 0.00 O ATOM 665 CB VAL A 46 1.119 -9.593 1.557 1.00 0.00 C ATOM 666 CG1 VAL A 46 2.236 -9.199 2.512 1.00 0.00 C ATOM 667 CG2 VAL A 46 0.197 -10.621 2.197 1.00 0.00 C ATOM 0 H VAL A 46 -0.829 -9.706 0.003 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.172 -7.919 1.987 1.00 0.00 H new ATOM 0 HB VAL A 46 1.571 -10.044 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.789 -10.089 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.911 -8.502 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.809 -8.723 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.778 -11.491 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.286 -10.183 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.563 -10.926 1.478 1.00 0.00 H new ATOM 677 N ALA A 47 1.858 -7.668 -0.627 1.00 0.00 N ATOM 678 CA ALA A 47 2.794 -6.778 -1.304 1.00 0.00 C ATOM 679 C ALA A 47 2.154 -5.424 -1.591 1.00 0.00 C ATOM 680 O ALA A 47 2.595 -4.396 -1.078 1.00 0.00 O ATOM 681 CB ALA A 47 3.289 -7.414 -2.594 1.00 0.00 C ATOM 0 H ALA A 47 1.695 -8.553 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 47 3.645 -6.616 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.987 -6.738 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.793 -8.353 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.442 -7.607 -3.253 1.00 0.00 H new ATOM 687 N LYS A 48 1.111 -5.431 -2.414 1.00 0.00 N ATOM 688 CA LYS A 48 0.408 -4.204 -2.769 1.00 0.00 C ATOM 689 C LYS A 48 0.280 -3.281 -1.562 1.00 0.00 C ATOM 690 O LYS A 48 0.447 -2.066 -1.675 1.00 0.00 O ATOM 691 CB LYS A 48 -0.980 -4.529 -3.326 1.00 0.00 C ATOM 692 CG LYS A 48 -1.849 -3.303 -3.548 1.00 0.00 C ATOM 693 CD LYS A 48 -3.324 -3.628 -3.385 1.00 0.00 C ATOM 694 CE LYS A 48 -4.156 -2.368 -3.204 1.00 0.00 C ATOM 695 NZ LYS A 48 -5.557 -2.557 -3.670 1.00 0.00 N ATOM 0 H LYS A 48 0.734 -6.273 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 48 0.989 -3.692 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.868 -5.060 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.489 -5.205 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.567 -2.523 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.671 -2.906 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.676 -4.175 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.460 -4.282 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.159 -2.083 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.697 -1.548 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.028 -1.632 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.553 -3.013 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.070 -3.158 -2.993 1.00 0.00 H new ATOM 709 N LEU A 49 -0.016 -3.864 -0.406 1.00 0.00 N ATOM 710 CA LEU A 49 -0.165 -3.094 0.824 1.00 0.00 C ATOM 711 C LEU A 49 1.152 -2.431 1.214 1.00 0.00 C ATOM 712 O LEU A 49 1.219 -1.213 1.385 1.00 0.00 O ATOM 713 CB LEU A 49 -0.650 -3.998 1.959 1.00 0.00 C ATOM 714 CG LEU A 49 -0.855 -3.321 3.315 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.943 -2.262 3.224 1.00 0.00 C ATOM 716 CD2 LEU A 49 -1.199 -4.353 4.379 1.00 0.00 C ATOM 0 H LEU A 49 -0.158 -4.868 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.905 -2.313 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.593 -4.453 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.069 -4.808 2.084 1.00 0.00 H new ATOM 0 HG LEU A 49 0.076 -2.831 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.075 -1.791 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.656 -1.507 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.879 -2.728 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.341 -3.854 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.116 -4.871 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.386 -5.074 4.463 1.00 0.00 H new ATOM 728 N LEU A 50 2.197 -3.239 1.352 1.00 0.00 N ATOM 729 CA LEU A 50 3.514 -2.730 1.719 1.00 0.00 C ATOM 730 C LEU A 50 3.934 -1.589 0.798 1.00 0.00 C ATOM 731 O LEU A 50 4.795 -0.782 1.146 1.00 0.00 O ATOM 732 CB LEU A 50 4.550 -3.854 1.663 1.00 0.00 C ATOM 733 CG LEU A 50 4.387 -4.970 2.695 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.416 -6.066 2.464 1.00 0.00 C ATOM 735 CD2 LEU A 50 4.506 -4.413 4.107 1.00 0.00 C ATOM 0 H LEU A 50 2.158 -4.249 1.215 1.00 0.00 H new ATOM 0 HA LEU A 50 3.457 -2.347 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.520 -4.299 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.540 -3.415 1.786 1.00 0.00 H new ATOM 0 HG LEU A 50 3.393 -5.403 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.284 -6.851 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.283 -6.485 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.419 -5.648 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.387 -5.222 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.486 -3.953 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.730 -3.665 4.270 1.00 0.00 H new ATOM 747 N ASP A 51 3.318 -1.528 -0.377 1.00 0.00 N ATOM 748 CA ASP A 51 3.625 -0.484 -1.348 1.00 0.00 C ATOM 749 C ASP A 51 2.731 0.735 -1.136 1.00 0.00 C ATOM 750 O ASP A 51 3.206 1.871 -1.126 1.00 0.00 O ATOM 751 CB ASP A 51 3.455 -1.015 -2.772 1.00 0.00 C ATOM 752 CG ASP A 51 4.493 -2.061 -3.127 1.00 0.00 C ATOM 753 OD1 ASP A 51 4.815 -2.896 -2.257 1.00 0.00 O ATOM 754 OD2 ASP A 51 4.984 -2.044 -4.276 1.00 0.00 O ATOM 0 H ASP A 51 2.603 -2.189 -0.680 1.00 0.00 H new ATOM 0 HA ASP A 51 4.662 -0.182 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.459 -1.444 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.523 -0.186 -3.476 1.00 0.00 H new ATOM 759 N LEU A 52 1.437 0.490 -0.968 1.00 0.00 N ATOM 760 CA LEU A 52 0.476 1.567 -0.758 1.00 0.00 C ATOM 761 C LEU A 52 0.971 2.538 0.309 1.00 0.00 C ATOM 762 O LEU A 52 0.639 3.724 0.288 1.00 0.00 O ATOM 763 CB LEU A 52 -0.883 0.993 -0.351 1.00 0.00 C ATOM 764 CG LEU A 52 -1.728 0.404 -1.480 1.00 0.00 C ATOM 765 CD1 LEU A 52 -2.918 -0.357 -0.915 1.00 0.00 C ATOM 766 CD2 LEU A 52 -2.194 1.501 -2.426 1.00 0.00 C ATOM 0 H LEU A 52 1.029 -0.445 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 52 0.367 2.111 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.718 0.216 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.458 1.783 0.132 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.110 -0.295 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.508 -0.769 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.563 -1.168 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.537 0.320 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.794 1.063 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.795 2.225 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.327 2.002 -2.857 1.00 0.00 H new ATOM 778 N LYS A 53 1.769 2.028 1.241 1.00 0.00 N ATOM 779 CA LYS A 53 2.315 2.849 2.315 1.00 0.00 C ATOM 780 C LYS A 53 3.248 3.920 1.761 1.00 0.00 C ATOM 781 O LYS A 53 3.290 5.044 2.263 1.00 0.00 O ATOM 782 CB LYS A 53 3.065 1.975 3.323 1.00 0.00 C ATOM 783 CG LYS A 53 2.188 1.457 4.450 1.00 0.00 C ATOM 784 CD LYS A 53 1.366 0.257 4.010 1.00 0.00 C ATOM 785 CE LYS A 53 0.862 -0.541 5.202 1.00 0.00 C ATOM 786 NZ LYS A 53 1.968 -1.252 5.900 1.00 0.00 N ATOM 0 H LYS A 53 2.052 1.049 1.274 1.00 0.00 H new ATOM 0 HA LYS A 53 1.484 3.342 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.507 1.128 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.887 2.550 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.812 1.180 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.522 2.251 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.519 0.594 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.972 -0.385 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.362 0.128 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.119 -1.265 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.573 -2.007 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.612 -1.667 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.492 -0.579 6.495 1.00 0.00 H new ATOM 800 N LYS A 54 3.997 3.566 0.721 1.00 0.00 N ATOM 801 CA LYS A 54 4.928 4.497 0.096 1.00 0.00 C ATOM 802 C LYS A 54 4.203 5.425 -0.872 1.00 0.00 C ATOM 803 O LYS A 54 4.529 6.608 -0.975 1.00 0.00 O ATOM 804 CB LYS A 54 6.028 3.731 -0.642 1.00 0.00 C ATOM 805 CG LYS A 54 5.689 3.425 -2.091 1.00 0.00 C ATOM 806 CD LYS A 54 6.484 2.239 -2.611 1.00 0.00 C ATOM 807 CE LYS A 54 6.549 2.236 -4.131 1.00 0.00 C ATOM 808 NZ LYS A 54 7.444 3.307 -4.650 1.00 0.00 N ATOM 0 H LYS A 54 3.977 2.640 0.294 1.00 0.00 H new ATOM 0 HA LYS A 54 5.379 5.103 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.949 4.312 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.222 2.795 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.623 3.217 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.895 4.301 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.494 2.269 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.027 1.312 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.905 1.266 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.547 2.372 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.692 3.103 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.955 4.224 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.311 3.343 -4.076 1.00 0.00 H new ATOM 822 N GLN A 55 3.216 4.882 -1.579 1.00 0.00 N ATOM 823 CA GLN A 55 2.445 5.663 -2.538 1.00 0.00 C ATOM 824 C GLN A 55 1.651 6.760 -1.835 1.00 0.00 C ATOM 825 O GLN A 55 1.663 7.917 -2.256 1.00 0.00 O ATOM 826 CB GLN A 55 1.496 4.754 -3.322 1.00 0.00 C ATOM 827 CG GLN A 55 2.205 3.637 -4.071 1.00 0.00 C ATOM 828 CD GLN A 55 1.324 2.420 -4.272 1.00 0.00 C ATOM 829 OE1 GLN A 55 1.613 1.339 -3.757 1.00 0.00 O ATOM 830 NE2 GLN A 55 0.243 2.588 -5.024 1.00 0.00 N ATOM 0 H GLN A 55 2.932 3.905 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 55 3.144 6.132 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.773 4.317 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.933 5.358 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.534 4.007 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.100 3.346 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.042 3.501 -5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.386 1.804 -5.195 1.00 0.00 H new ATOM 839 N LEU A 56 0.962 6.388 -0.761 1.00 0.00 N ATOM 840 CA LEU A 56 0.162 7.340 0.001 1.00 0.00 C ATOM 841 C LEU A 56 1.009 8.528 0.449 1.00 0.00 C ATOM 842 O LEU A 56 0.807 9.653 -0.007 1.00 0.00 O ATOM 843 CB LEU A 56 -0.459 6.654 1.219 1.00 0.00 C ATOM 844 CG LEU A 56 -1.611 7.399 1.894 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.077 8.462 2.842 1.00 0.00 C ATOM 846 CD2 LEU A 56 -2.526 8.024 0.851 1.00 0.00 C ATOM 0 H LEU A 56 0.942 5.435 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.634 7.708 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.818 5.671 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.325 6.492 1.959 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.191 6.682 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.911 8.982 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.464 7.990 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.473 9.177 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.340 8.550 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.958 8.728 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.937 7.242 0.212 1.00 0.00 H new ATOM 858 N ALA A 57 1.958 8.268 1.341 1.00 0.00 N ATOM 859 CA ALA A 57 2.839 9.314 1.847 1.00 0.00 C ATOM 860 C ALA A 57 3.236 10.281 0.737 1.00 0.00 C ATOM 861 O ALA A 57 2.874 11.457 0.766 1.00 0.00 O ATOM 862 CB ALA A 57 4.077 8.700 2.483 1.00 0.00 C ATOM 0 H ALA A 57 2.137 7.342 1.729 1.00 0.00 H new ATOM 0 HA ALA A 57 2.296 9.877 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.725 9.493 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.779 8.055 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.614 8.112 1.739 1.00 0.00 H new ATOM 868 N VAL A 58 3.983 9.778 -0.240 1.00 0.00 N ATOM 869 CA VAL A 58 4.430 10.597 -1.361 1.00 0.00 C ATOM 870 C VAL A 58 3.329 11.547 -1.820 1.00 0.00 C ATOM 871 O VAL A 58 3.510 12.764 -1.830 1.00 0.00 O ATOM 872 CB VAL A 58 4.871 9.727 -2.552 1.00 0.00 C ATOM 873 CG1 VAL A 58 5.266 10.599 -3.734 1.00 0.00 C ATOM 874 CG2 VAL A 58 6.018 8.812 -2.147 1.00 0.00 C ATOM 0 H VAL A 58 4.292 8.807 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 58 5.284 11.176 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 58 4.029 9.105 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.575 9.966 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.414 11.208 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.092 11.249 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.317 8.204 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.864 9.414 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.695 8.162 -1.334 1.00 0.00 H new ATOM 884 N ALA A 59 2.188 10.982 -2.198 1.00 0.00 N ATOM 885 CA ALA A 59 1.056 11.779 -2.656 1.00 0.00 C ATOM 886 C ALA A 59 0.935 13.071 -1.855 1.00 0.00 C ATOM 887 O ALA A 59 0.795 14.153 -2.424 1.00 0.00 O ATOM 888 CB ALA A 59 -0.231 10.973 -2.560 1.00 0.00 C ATOM 0 H ALA A 59 2.022 9.976 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 59 1.228 12.044 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.067 11.581 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.149 10.081 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.400 10.679 -1.524 1.00 0.00 H new ATOM 894 N GLU A 60 0.988 12.949 -0.533 1.00 0.00 N ATOM 895 CA GLU A 60 0.882 14.108 0.346 1.00 0.00 C ATOM 896 C GLU A 60 2.173 14.922 0.330 1.00 0.00 C ATOM 897 O GLU A 60 2.144 16.152 0.314 1.00 0.00 O ATOM 898 CB GLU A 60 0.562 13.666 1.775 1.00 0.00 C ATOM 899 CG GLU A 60 -0.714 12.850 1.888 1.00 0.00 C ATOM 900 CD GLU A 60 -0.517 11.400 1.492 1.00 0.00 C ATOM 901 OE1 GLU A 60 0.336 10.727 2.107 1.00 0.00 O ATOM 902 OE2 GLU A 60 -1.216 10.938 0.565 1.00 0.00 O ATOM 0 H GLU A 60 1.104 12.060 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 60 0.071 14.737 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.395 13.077 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.476 14.549 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.080 12.896 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.482 13.294 1.255 1.00 0.00 H new ATOM 909 N GLY A 61 3.306 14.225 0.336 1.00 0.00 N ATOM 910 CA GLY A 61 4.591 14.898 0.324 1.00 0.00 C ATOM 911 C GLY A 61 5.375 14.675 1.601 1.00 0.00 C ATOM 912 O GLY A 61 6.355 15.371 1.868 1.00 0.00 O ATOM 0 H GLY A 61 3.356 13.206 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.176 14.542 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.436 15.967 0.179 1.00 0.00 H new ATOM 916 N LYS A 62 4.943 13.701 2.396 1.00 0.00 N ATOM 917 CA LYS A 62 5.610 13.387 3.654 1.00 0.00 C ATOM 918 C LYS A 62 6.306 12.032 3.577 1.00 0.00 C ATOM 919 O LYS A 62 5.864 11.118 2.880 1.00 0.00 O ATOM 920 CB LYS A 62 4.601 13.389 4.805 1.00 0.00 C ATOM 921 CG LYS A 62 3.467 12.395 4.621 1.00 0.00 C ATOM 922 CD LYS A 62 2.198 12.864 5.312 1.00 0.00 C ATOM 923 CE LYS A 62 1.350 11.690 5.777 1.00 0.00 C ATOM 924 NZ LYS A 62 0.402 11.237 4.720 1.00 0.00 N ATOM 0 H LYS A 62 4.133 13.115 2.191 1.00 0.00 H new ATOM 0 HA LYS A 62 6.363 14.153 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.123 13.164 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.182 14.390 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.273 12.255 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.763 11.425 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.458 13.488 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.618 13.485 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.000 10.862 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.791 11.976 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.029 10.298 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.384 11.913 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.899 11.183 3.808 1.00 0.00 H new ATOM 938 N PRO A 63 7.421 11.896 4.310 1.00 0.00 N ATOM 939 CA PRO A 63 8.201 10.655 4.342 1.00 0.00 C ATOM 940 C PRO A 63 7.470 9.530 5.067 1.00 0.00 C ATOM 941 O PRO A 63 6.697 9.758 5.998 1.00 0.00 O ATOM 942 CB PRO A 63 9.466 11.051 5.107 1.00 0.00 C ATOM 943 CG PRO A 63 9.052 12.205 5.953 1.00 0.00 C ATOM 944 CD PRO A 63 8.007 12.943 5.164 1.00 0.00 C ATOM 0 HA PRO A 63 8.395 10.269 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.835 10.226 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.270 11.328 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.652 11.865 6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.902 12.851 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.259 13.397 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.444 13.747 4.572 1.00 0.00 H new ATOM 952 N PRO A 64 7.718 8.286 4.633 1.00 0.00 N ATOM 953 CA PRO A 64 7.094 7.100 5.228 1.00 0.00 C ATOM 954 C PRO A 64 7.610 6.817 6.634 1.00 0.00 C ATOM 955 O PRO A 64 8.218 7.680 7.267 1.00 0.00 O ATOM 956 CB PRO A 64 7.495 5.972 4.274 1.00 0.00 C ATOM 957 CG PRO A 64 8.755 6.445 3.636 1.00 0.00 C ATOM 958 CD PRO A 64 8.628 7.940 3.528 1.00 0.00 C ATOM 0 HA PRO A 64 6.016 7.219 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.650 5.036 4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.720 5.788 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.623 6.169 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.889 5.993 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.594 8.434 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.220 8.240 2.563 1.00 0.00 H new ATOM 966 N GLU A 65 7.363 5.604 7.117 1.00 0.00 N ATOM 967 CA GLU A 65 7.804 5.209 8.450 1.00 0.00 C ATOM 968 C GLU A 65 9.302 4.921 8.465 1.00 0.00 C ATOM 969 O GLU A 65 9.737 3.859 8.910 1.00 0.00 O ATOM 970 CB GLU A 65 7.032 3.975 8.922 1.00 0.00 C ATOM 971 CG GLU A 65 5.540 4.216 9.085 1.00 0.00 C ATOM 972 CD GLU A 65 5.215 5.051 10.308 1.00 0.00 C ATOM 973 OE1 GLU A 65 5.355 4.531 11.435 1.00 0.00 O ATOM 974 OE2 GLU A 65 4.820 6.223 10.139 1.00 0.00 O ATOM 0 H GLU A 65 6.860 4.878 6.606 1.00 0.00 H new ATOM 0 HA GLU A 65 7.604 6.037 9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.185 3.166 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.444 3.641 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.157 4.717 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.026 3.257 9.157 1.00 0.00 H new ATOM 981 N ALA A 66 10.087 5.875 7.976 1.00 0.00 N ATOM 982 CA ALA A 66 11.536 5.726 7.933 1.00 0.00 C ATOM 983 C ALA A 66 12.041 4.931 9.133 1.00 0.00 C ATOM 984 O ALA A 66 12.608 3.846 8.995 1.00 0.00 O ATOM 985 CB ALA A 66 12.206 7.091 7.883 1.00 0.00 C ATOM 0 H ALA A 66 9.743 6.760 7.604 1.00 0.00 H new ATOM 0 HA ALA A 66 11.793 5.174 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.288 6.964 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.877 7.625 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.934 7.663 8.770 1.00 0.00 H new ATOM 991 N PRO A 67 11.833 5.480 10.338 1.00 0.00 N ATOM 992 CA PRO A 67 12.259 4.838 11.585 1.00 0.00 C ATOM 993 C PRO A 67 11.443 3.590 11.904 1.00 0.00 C ATOM 994 O PRO A 67 11.998 2.525 12.175 1.00 0.00 O ATOM 995 CB PRO A 67 12.018 5.919 12.641 1.00 0.00 C ATOM 996 CG PRO A 67 10.947 6.779 12.065 1.00 0.00 C ATOM 997 CD PRO A 67 11.163 6.770 10.577 1.00 0.00 C ATOM 0 HA PRO A 67 13.293 4.495 11.534 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.708 5.483 13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.925 6.492 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.959 6.394 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.005 7.793 12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.221 6.840 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.780 7.609 10.255 1.00 0.00 H new ATOM 1005 N LYS A 68 10.122 3.728 11.869 1.00 0.00 N ATOM 1006 CA LYS A 68 9.228 2.612 12.152 1.00 0.00 C ATOM 1007 C LYS A 68 9.152 1.660 10.963 1.00 0.00 C ATOM 1008 O LYS A 68 8.137 1.597 10.270 1.00 0.00 O ATOM 1009 CB LYS A 68 7.829 3.127 12.497 1.00 0.00 C ATOM 1010 CG LYS A 68 7.685 3.579 13.940 1.00 0.00 C ATOM 1011 CD LYS A 68 6.263 3.395 14.443 1.00 0.00 C ATOM 1012 CE LYS A 68 6.065 2.021 15.064 1.00 0.00 C ATOM 1013 NZ LYS A 68 6.919 1.828 16.269 1.00 0.00 N ATOM 0 H LYS A 68 9.647 4.603 11.647 1.00 0.00 H new ATOM 0 HA LYS A 68 9.629 2.066 13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.585 3.960 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.102 2.340 12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.371 3.012 14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.969 4.628 14.024 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.034 4.165 15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.564 3.526 13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.018 1.894 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.298 1.252 14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.461 1.154 16.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.847 1.456 15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.047 2.739 16.754 1.00 0.00 H new ATOM 1027 N GLY A 69 10.232 0.920 10.732 1.00 0.00 N ATOM 1028 CA GLY A 69 10.265 -0.019 9.626 1.00 0.00 C ATOM 1029 C GLY A 69 11.468 0.187 8.727 1.00 0.00 C ATOM 1030 O GLY A 69 11.325 0.377 7.519 1.00 0.00 O ATOM 0 H GLY A 69 11.085 0.954 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.278 -1.036 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.353 0.085 9.038 1.00 0.00 H new ATOM 1034 N LYS A 70 12.659 0.150 9.317 1.00 0.00 N ATOM 1035 CA LYS A 70 13.893 0.334 8.562 1.00 0.00 C ATOM 1036 C LYS A 70 14.150 -0.855 7.642 1.00 0.00 C ATOM 1037 O LYS A 70 14.282 -1.990 8.100 1.00 0.00 O ATOM 1038 CB LYS A 70 15.075 0.521 9.515 1.00 0.00 C ATOM 1039 CG LYS A 70 15.280 -0.646 10.466 1.00 0.00 C ATOM 1040 CD LYS A 70 16.338 -0.335 11.510 1.00 0.00 C ATOM 1041 CE LYS A 70 17.740 -0.411 10.924 1.00 0.00 C ATOM 1042 NZ LYS A 70 18.785 -0.130 11.947 1.00 0.00 N ATOM 0 H LYS A 70 12.795 -0.006 10.316 1.00 0.00 H new ATOM 0 HA LYS A 70 13.785 1.228 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.983 0.666 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.922 1.430 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.338 -0.883 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.574 -1.530 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.167 0.661 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.250 -1.038 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.903 -1.402 10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.831 0.304 10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.726 -0.192 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.645 0.825 12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.715 -0.827 12.715 1.00 0.00 H new ATOM 1056 N LYS A 71 14.223 -0.587 6.343 1.00 0.00 N ATOM 1057 CA LYS A 71 14.468 -1.634 5.358 1.00 0.00 C ATOM 1058 C LYS A 71 15.875 -1.519 4.780 1.00 0.00 C ATOM 1059 O LYS A 71 16.489 -0.452 4.820 1.00 0.00 O ATOM 1060 CB LYS A 71 13.435 -1.555 4.231 1.00 0.00 C ATOM 1061 CG LYS A 71 13.468 -0.243 3.466 1.00 0.00 C ATOM 1062 CD LYS A 71 12.943 -0.409 2.050 1.00 0.00 C ATOM 1063 CE LYS A 71 13.514 0.646 1.116 1.00 0.00 C ATOM 1064 NZ LYS A 71 12.827 1.958 1.276 1.00 0.00 N ATOM 0 H LYS A 71 14.116 0.347 5.947 1.00 0.00 H new ATOM 0 HA LYS A 71 14.377 -2.598 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.606 -2.376 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.439 -1.696 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.869 0.501 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.490 0.135 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.200 -1.401 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.855 -0.342 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.579 0.767 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.417 0.309 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.245 2.651 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.815 1.848 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.941 2.293 2.254 1.00 0.00 H new ATOM 1078 N LYS A 72 16.381 -2.623 4.242 1.00 0.00 N ATOM 1079 CA LYS A 72 17.715 -2.647 3.653 1.00 0.00 C ATOM 1080 C LYS A 72 17.637 -2.740 2.133 1.00 0.00 C ATOM 1081 O LYS A 72 16.626 -3.171 1.578 1.00 0.00 O ATOM 1082 CB LYS A 72 18.518 -3.826 4.207 1.00 0.00 C ATOM 1083 CG LYS A 72 17.924 -5.181 3.863 1.00 0.00 C ATOM 1084 CD LYS A 72 18.814 -6.317 4.341 1.00 0.00 C ATOM 1085 CE LYS A 72 18.580 -7.584 3.533 1.00 0.00 C ATOM 1086 NZ LYS A 72 19.378 -8.729 4.055 1.00 0.00 N ATOM 0 H LYS A 72 15.887 -3.514 4.202 1.00 0.00 H new ATOM 0 HA LYS A 72 18.218 -1.717 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.536 -3.776 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.584 -3.732 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.938 -5.273 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.785 -5.255 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.860 -6.020 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.619 -6.515 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.521 -7.839 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.842 -7.404 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.191 -9.574 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.390 -8.496 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.110 -8.918 5.042 1.00 0.00 H new ATOM 1100 N LYS A 73 18.711 -2.333 1.464 1.00 0.00 N ATOM 1101 CA LYS A 73 18.766 -2.373 0.007 1.00 0.00 C ATOM 1102 C LYS A 73 20.148 -1.969 -0.496 1.00 0.00 C ATOM 1103 O LYS A 73 20.889 -1.267 0.192 1.00 0.00 O ATOM 1104 CB LYS A 73 17.703 -1.447 -0.589 1.00 0.00 C ATOM 1105 CG LYS A 73 17.905 0.016 -0.237 1.00 0.00 C ATOM 1106 CD LYS A 73 16.669 0.842 -0.555 1.00 0.00 C ATOM 1107 CE LYS A 73 16.516 1.062 -2.052 1.00 0.00 C ATOM 1108 NZ LYS A 73 17.428 2.127 -2.553 1.00 0.00 N ATOM 0 H LYS A 73 19.555 -1.972 1.908 1.00 0.00 H new ATOM 0 HA LYS A 73 18.568 -3.396 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.706 -1.555 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.720 -1.764 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.142 0.107 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.759 0.409 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.784 0.338 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.734 1.805 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.722 0.130 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.484 1.333 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.293 2.246 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.215 3.023 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.414 1.857 -2.363 1.00 0.00 H new ATOM 1122 N SER A 74 20.488 -2.416 -1.701 1.00 0.00 N ATOM 1123 CA SER A 74 21.782 -2.103 -2.295 1.00 0.00 C ATOM 1124 C SER A 74 22.916 -2.731 -1.490 1.00 0.00 C ATOM 1125 O SER A 74 23.993 -2.152 -1.358 1.00 0.00 O ATOM 1126 CB SER A 74 21.977 -0.588 -2.375 1.00 0.00 C ATOM 1127 OG SER A 74 20.940 0.020 -3.126 1.00 0.00 O ATOM 0 H SER A 74 19.885 -2.996 -2.285 1.00 0.00 H new ATOM 0 HA SER A 74 21.801 -2.519 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.997 -0.167 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.941 -0.366 -2.833 1.00 0.00 H new ATOM 0 HG SER A 74 21.086 0.988 -3.161 1.00 0.00 H new ATOM 1133 N GLY A 75 22.663 -3.920 -0.952 1.00 0.00 N ATOM 1134 CA GLY A 75 23.671 -4.608 -0.166 1.00 0.00 C ATOM 1135 C GLY A 75 24.417 -3.673 0.766 1.00 0.00 C ATOM 1136 O GLY A 75 25.505 -3.188 0.454 1.00 0.00 O ATOM 0 H GLY A 75 21.778 -4.419 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.196 -5.396 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.382 -5.092 -0.836 1.00 0.00 H new ATOM 1140 N PRO A 76 23.826 -3.406 1.940 1.00 0.00 N ATOM 1141 CA PRO A 76 24.424 -2.520 2.944 1.00 0.00 C ATOM 1142 C PRO A 76 25.660 -3.132 3.594 1.00 0.00 C ATOM 1143 O PRO A 76 25.753 -4.349 3.752 1.00 0.00 O ATOM 1144 CB PRO A 76 23.307 -2.349 3.976 1.00 0.00 C ATOM 1145 CG PRO A 76 22.468 -3.572 3.833 1.00 0.00 C ATOM 1146 CD PRO A 76 22.529 -3.949 2.379 1.00 0.00 C ATOM 0 HA PRO A 76 24.767 -1.582 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 76 23.710 -2.261 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.727 -1.446 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.845 -4.379 4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 76 21.441 -3.379 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.478 -5.029 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 76 21.701 -3.517 1.817 1.00 0.00 H new ATOM 1154 N SER A 77 26.609 -2.279 3.969 1.00 0.00 N ATOM 1155 CA SER A 77 27.842 -2.736 4.599 1.00 0.00 C ATOM 1156 C SER A 77 28.445 -3.906 3.826 1.00 0.00 C ATOM 1157 O SER A 77 28.938 -4.866 4.418 1.00 0.00 O ATOM 1158 CB SER A 77 27.576 -3.150 6.047 1.00 0.00 C ATOM 1159 OG SER A 77 27.570 -2.023 6.907 1.00 0.00 O ATOM 0 H SER A 77 26.547 -1.268 3.847 1.00 0.00 H new ATOM 0 HA SER A 77 28.554 -1.911 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.618 -3.665 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 77 28.340 -3.856 6.373 1.00 0.00 H new ATOM 0 HG SER A 77 27.396 -2.314 7.826 1.00 0.00 H new ATOM 1165 N SER A 78 28.403 -3.816 2.501 1.00 0.00 N ATOM 1166 CA SER A 78 28.942 -4.867 1.646 1.00 0.00 C ATOM 1167 C SER A 78 30.055 -4.325 0.755 1.00 0.00 C ATOM 1168 O SER A 78 29.846 -3.394 -0.022 1.00 0.00 O ATOM 1169 CB SER A 78 27.832 -5.472 0.784 1.00 0.00 C ATOM 1170 OG SER A 78 28.339 -6.492 -0.059 1.00 0.00 O ATOM 0 H SER A 78 28.001 -3.026 1.996 1.00 0.00 H new ATOM 0 HA SER A 78 29.359 -5.644 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.051 -5.881 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 78 27.371 -4.691 0.179 1.00 0.00 H new ATOM 0 HG SER A 78 27.610 -6.863 -0.598 1.00 0.00 H new ATOM 1176 N GLY A 79 31.240 -4.916 0.873 1.00 0.00 N ATOM 1177 CA GLY A 79 32.370 -4.480 0.074 1.00 0.00 C ATOM 1178 C GLY A 79 33.644 -5.228 0.413 1.00 0.00 C ATOM 1179 O GLY A 79 34.659 -5.079 -0.267 1.00 0.00 O ATOM 0 H GLY A 79 31.438 -5.689 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 79 32.140 -4.621 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 79 32.528 -3.412 0.226 1.00 0.00 H new TER 1183 GLY A 79