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 70 LYS NZ :NH3+ 162:sc= -0.0124 (180deg=-0.175) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.109 USER MOD Single : A 5 SER OG : rot 67:sc= 1.11 USER MOD Single : A 6 SER OG : rot 28:sc= 0.169 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= 0.711 K(o=0.71,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0916 K(o=-0.092,f=-1.8!) USER MOD Single : A 16 GLN : amide:sc= 0.255 X(o=0.26,f=-0.0019) USER MOD Single : A 19 MET CE :methyl -150:sc= -1.82 (180deg=-2.57) USER MOD Single : A 23 THR OG1 : rot 74:sc= 0.0594 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.128 (180deg=-0.835) USER MOD Single : A 25 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.58) USER MOD Single : A 27 ASN : amide:sc= -0.105 X(o=-0.1,f=0) 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= -1.54! C(o=-1.5!,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.0191 (180deg=-0.657) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -146:sc= -0.0197 (180deg=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -0.695 (180deg=-1.76!) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0687 (180deg=-0.466) 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 -19.320 0.559 -12.941 1.00 0.00 N ATOM 2 CA GLY A 1 -18.028 0.156 -12.416 1.00 0.00 C ATOM 3 C GLY A 1 -16.948 1.187 -12.678 1.00 0.00 C ATOM 4 O GLY A 1 -17.179 2.387 -12.535 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.023 -0.179 -12.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.614 1.451 -12.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.250 0.694 -13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.112 -0.013 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.737 -0.793 -12.866 1.00 0.00 H new ATOM 8 N SER A 2 -15.765 0.718 -13.060 1.00 0.00 N ATOM 9 CA SER A 2 -14.643 1.607 -13.337 1.00 0.00 C ATOM 10 C SER A 2 -15.023 2.652 -14.382 1.00 0.00 C ATOM 11 O SER A 2 -15.286 2.322 -15.538 1.00 0.00 O ATOM 12 CB SER A 2 -13.434 0.804 -13.819 1.00 0.00 C ATOM 13 OG SER A 2 -12.755 0.201 -12.730 1.00 0.00 O ATOM 0 H SER A 2 -15.558 -0.273 -13.185 1.00 0.00 H new ATOM 0 HA SER A 2 -14.383 2.121 -12.412 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.760 0.035 -14.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.751 1.459 -14.360 1.00 0.00 H new ATOM 0 HG SER A 2 -11.987 -0.308 -13.065 1.00 0.00 H new ATOM 19 N SER A 3 -15.050 3.914 -13.966 1.00 0.00 N ATOM 20 CA SER A 3 -15.401 5.008 -14.864 1.00 0.00 C ATOM 21 C SER A 3 -14.742 4.824 -16.227 1.00 0.00 C ATOM 22 O SER A 3 -15.402 4.893 -17.263 1.00 0.00 O ATOM 23 CB SER A 3 -14.982 6.348 -14.258 1.00 0.00 C ATOM 24 OG SER A 3 -13.580 6.398 -14.051 1.00 0.00 O ATOM 0 H SER A 3 -14.833 4.204 -13.013 1.00 0.00 H new ATOM 0 HA SER A 3 -16.483 5.002 -14.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.284 7.160 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.498 6.499 -13.310 1.00 0.00 H new ATOM 0 HG SER A 3 -13.337 7.265 -13.664 1.00 0.00 H new ATOM 30 N GLY A 4 -13.433 4.590 -16.218 1.00 0.00 N ATOM 31 CA GLY A 4 -12.704 4.401 -17.459 1.00 0.00 C ATOM 32 C GLY A 4 -13.182 5.328 -18.559 1.00 0.00 C ATOM 33 O GLY A 4 -13.603 4.875 -19.623 1.00 0.00 O ATOM 0 H GLY A 4 -12.864 4.528 -15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.642 4.570 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.812 3.367 -17.787 1.00 0.00 H new ATOM 37 N SER A 5 -13.118 6.631 -18.301 1.00 0.00 N ATOM 38 CA SER A 5 -13.552 7.624 -19.276 1.00 0.00 C ATOM 39 C SER A 5 -12.656 8.859 -19.230 1.00 0.00 C ATOM 40 O SER A 5 -11.748 8.949 -18.403 1.00 0.00 O ATOM 41 CB SER A 5 -15.005 8.025 -19.015 1.00 0.00 C ATOM 42 OG SER A 5 -15.870 6.907 -19.126 1.00 0.00 O ATOM 0 H SER A 5 -12.770 7.023 -17.426 1.00 0.00 H new ATOM 0 HA SER A 5 -13.478 7.179 -20.268 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.093 8.459 -18.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.307 8.794 -19.726 1.00 0.00 H new ATOM 0 HG SER A 5 -15.683 6.275 -18.401 1.00 0.00 H new ATOM 48 N SER A 6 -12.919 9.807 -20.123 1.00 0.00 N ATOM 49 CA SER A 6 -12.135 11.035 -20.188 1.00 0.00 C ATOM 50 C SER A 6 -12.012 11.674 -18.808 1.00 0.00 C ATOM 51 O SER A 6 -13.012 11.924 -18.136 1.00 0.00 O ATOM 52 CB SER A 6 -12.776 12.023 -21.165 1.00 0.00 C ATOM 53 OG SER A 6 -14.037 12.464 -20.691 1.00 0.00 O ATOM 0 H SER A 6 -13.669 9.749 -20.812 1.00 0.00 H new ATOM 0 HA SER A 6 -11.136 10.781 -20.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.117 12.880 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.896 11.550 -22.140 1.00 0.00 H new ATOM 0 HG SER A 6 -14.051 12.424 -19.712 1.00 0.00 H new ATOM 59 N GLY A 7 -10.777 11.936 -18.391 1.00 0.00 N ATOM 60 CA GLY A 7 -10.545 12.543 -17.094 1.00 0.00 C ATOM 61 C GLY A 7 -9.144 13.108 -16.961 1.00 0.00 C ATOM 62 O GLY A 7 -8.275 12.837 -17.790 1.00 0.00 O ATOM 0 H GLY A 7 -9.933 11.739 -18.929 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.272 13.340 -16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.709 11.800 -16.314 1.00 0.00 H new ATOM 66 N THR A 8 -8.924 13.898 -15.915 1.00 0.00 N ATOM 67 CA THR A 8 -7.620 14.506 -15.677 1.00 0.00 C ATOM 68 C THR A 8 -7.059 14.092 -14.322 1.00 0.00 C ATOM 69 O THR A 8 -7.796 13.980 -13.341 1.00 0.00 O ATOM 70 CB THR A 8 -7.697 16.043 -15.741 1.00 0.00 C ATOM 71 OG1 THR A 8 -6.378 16.600 -15.718 1.00 0.00 O ATOM 72 CG2 THR A 8 -8.506 16.593 -14.576 1.00 0.00 C ATOM 0 H THR A 8 -9.632 14.132 -15.219 1.00 0.00 H new ATOM 0 HA THR A 8 -6.957 14.150 -16.465 1.00 0.00 H new ATOM 0 HB THR A 8 -8.193 16.322 -16.671 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.435 17.577 -15.761 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.547 17.680 -14.642 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.518 16.189 -14.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.034 16.304 -13.637 1.00 0.00 H new ATOM 80 N THR A 9 -5.750 13.865 -14.272 1.00 0.00 N ATOM 81 CA THR A 9 -5.091 13.463 -13.036 1.00 0.00 C ATOM 82 C THR A 9 -4.554 14.673 -12.280 1.00 0.00 C ATOM 83 O THR A 9 -4.312 15.727 -12.868 1.00 0.00 O ATOM 84 CB THR A 9 -3.930 12.488 -13.310 1.00 0.00 C ATOM 85 OG1 THR A 9 -2.890 13.155 -14.033 1.00 0.00 O ATOM 86 CG2 THR A 9 -4.413 11.282 -14.103 1.00 0.00 C ATOM 0 H THR A 9 -5.125 13.953 -15.074 1.00 0.00 H new ATOM 0 HA THR A 9 -5.842 12.961 -12.427 1.00 0.00 H new ATOM 0 HB THR A 9 -3.541 12.142 -12.352 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.155 12.529 -14.202 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.576 10.607 -14.285 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.184 10.760 -13.537 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.825 11.614 -15.056 1.00 0.00 H new ATOM 94 N ALA A 10 -4.369 14.515 -10.974 1.00 0.00 N ATOM 95 CA ALA A 10 -3.859 15.595 -10.138 1.00 0.00 C ATOM 96 C ALA A 10 -3.226 15.049 -8.862 1.00 0.00 C ATOM 97 O ALA A 10 -3.597 13.977 -8.382 1.00 0.00 O ATOM 98 CB ALA A 10 -4.974 16.573 -9.800 1.00 0.00 C ATOM 0 H ALA A 10 -4.565 13.649 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.087 16.122 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.578 17.374 -9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.378 16.996 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.765 16.051 -9.262 1.00 0.00 H new ATOM 104 N LYS A 11 -2.269 15.792 -8.317 1.00 0.00 N ATOM 105 CA LYS A 11 -1.584 15.384 -7.096 1.00 0.00 C ATOM 106 C LYS A 11 -2.552 15.344 -5.918 1.00 0.00 C ATOM 107 O LYS A 11 -2.760 14.306 -5.289 1.00 0.00 O ATOM 108 CB LYS A 11 -0.430 16.341 -6.790 1.00 0.00 C ATOM 109 CG LYS A 11 0.908 15.874 -7.337 1.00 0.00 C ATOM 110 CD LYS A 11 1.601 14.922 -6.376 1.00 0.00 C ATOM 111 CE LYS A 11 2.963 14.494 -6.901 1.00 0.00 C ATOM 112 NZ LYS A 11 3.569 13.422 -6.063 1.00 0.00 N ATOM 0 H LYS A 11 -1.950 16.681 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.185 14.382 -7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.661 17.321 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.348 16.465 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.757 15.379 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.548 16.737 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.719 15.405 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.977 14.042 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.862 14.139 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.630 15.356 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.496 13.158 -6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.689 13.768 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.945 12.590 -6.060 1.00 0.00 H new ATOM 126 N PRO A 12 -3.159 16.500 -5.610 1.00 0.00 N ATOM 127 CA PRO A 12 -4.116 16.622 -4.506 1.00 0.00 C ATOM 128 C PRO A 12 -5.426 15.896 -4.792 1.00 0.00 C ATOM 129 O PRO A 12 -6.351 15.923 -3.980 1.00 0.00 O ATOM 130 CB PRO A 12 -4.351 18.131 -4.406 1.00 0.00 C ATOM 131 CG PRO A 12 -4.051 18.652 -5.769 1.00 0.00 C ATOM 132 CD PRO A 12 -2.959 17.776 -6.316 1.00 0.00 C ATOM 0 HA PRO A 12 -3.738 16.174 -3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.377 18.353 -4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.701 18.584 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.936 18.615 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.732 19.693 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.044 17.655 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.972 18.194 -6.119 1.00 0.00 H new ATOM 140 N GLN A 13 -5.498 15.248 -5.950 1.00 0.00 N ATOM 141 CA GLN A 13 -6.696 14.515 -6.342 1.00 0.00 C ATOM 142 C GLN A 13 -6.488 13.012 -6.193 1.00 0.00 C ATOM 143 O GLN A 13 -7.411 12.281 -5.833 1.00 0.00 O ATOM 144 CB GLN A 13 -7.074 14.849 -7.786 1.00 0.00 C ATOM 145 CG GLN A 13 -8.447 14.335 -8.190 1.00 0.00 C ATOM 146 CD GLN A 13 -8.718 14.499 -9.672 1.00 0.00 C ATOM 147 OE1 GLN A 13 -9.452 15.398 -10.085 1.00 0.00 O ATOM 148 NE2 GLN A 13 -8.127 13.629 -10.483 1.00 0.00 N ATOM 0 H GLN A 13 -4.741 15.216 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.509 14.818 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.046 15.930 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.325 14.426 -8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.529 13.281 -7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.211 14.867 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.527 12.900 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.273 13.690 -11.491 1.00 0.00 H new ATOM 157 N GLN A 14 -5.270 12.557 -6.472 1.00 0.00 N ATOM 158 CA GLN A 14 -4.942 11.140 -6.370 1.00 0.00 C ATOM 159 C GLN A 14 -4.888 10.698 -4.911 1.00 0.00 C ATOM 160 O GLN A 14 -5.148 9.537 -4.594 1.00 0.00 O ATOM 161 CB GLN A 14 -3.604 10.854 -7.052 1.00 0.00 C ATOM 162 CG GLN A 14 -2.408 11.428 -6.310 1.00 0.00 C ATOM 163 CD GLN A 14 -1.116 10.705 -6.638 1.00 0.00 C ATOM 164 OE1 GLN A 14 -1.110 9.730 -7.390 1.00 0.00 O ATOM 165 NE2 GLN A 14 -0.011 11.181 -6.075 1.00 0.00 N ATOM 0 H GLN A 14 -4.495 13.149 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.726 10.574 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.478 9.776 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.625 11.264 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.303 12.484 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.589 11.371 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.062 11.992 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.888 10.736 -6.260 1.00 0.00 H new ATOM 174 N ILE A 15 -4.547 11.631 -4.028 1.00 0.00 N ATOM 175 CA ILE A 15 -4.459 11.337 -2.603 1.00 0.00 C ATOM 176 C ILE A 15 -5.757 10.727 -2.086 1.00 0.00 C ATOM 177 O ILE A 15 -5.774 9.592 -1.611 1.00 0.00 O ATOM 178 CB ILE A 15 -4.138 12.602 -1.786 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.815 13.215 -2.251 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.083 12.274 -0.301 1.00 0.00 C ATOM 181 CD1 ILE A 15 -2.578 14.612 -1.723 1.00 0.00 C ATOM 0 H ILE A 15 -4.327 12.596 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.648 10.619 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.931 13.332 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.994 12.571 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.798 13.239 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.855 13.178 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.047 11.879 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.308 11.529 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.622 14.983 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.379 15.270 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.562 14.591 -0.633 1.00 0.00 H new ATOM 193 N GLN A 16 -6.842 11.488 -2.185 1.00 0.00 N ATOM 194 CA GLN A 16 -8.146 11.021 -1.728 1.00 0.00 C ATOM 195 C GLN A 16 -8.392 9.581 -2.164 1.00 0.00 C ATOM 196 O GLN A 16 -8.931 8.775 -1.406 1.00 0.00 O ATOM 197 CB GLN A 16 -9.254 11.927 -2.268 1.00 0.00 C ATOM 198 CG GLN A 16 -10.655 11.419 -1.970 1.00 0.00 C ATOM 199 CD GLN A 16 -10.962 11.391 -0.486 1.00 0.00 C ATOM 200 OE1 GLN A 16 -11.218 12.429 0.126 1.00 0.00 O ATOM 201 NE2 GLN A 16 -10.938 10.201 0.102 1.00 0.00 N ATOM 0 H GLN A 16 -6.844 12.430 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.156 11.058 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.139 12.923 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.135 12.029 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.383 12.054 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.768 10.415 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.721 9.367 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.137 10.121 1.099 1.00 0.00 H new ATOM 210 N ALA A 17 -7.995 9.264 -3.392 1.00 0.00 N ATOM 211 CA ALA A 17 -8.171 7.920 -3.929 1.00 0.00 C ATOM 212 C ALA A 17 -7.255 6.924 -3.227 1.00 0.00 C ATOM 213 O ALA A 17 -7.682 5.831 -2.851 1.00 0.00 O ATOM 214 CB ALA A 17 -7.912 7.913 -5.429 1.00 0.00 C ATOM 0 H ALA A 17 -7.549 9.920 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.202 7.615 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.047 6.903 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.612 8.588 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.892 8.243 -5.624 1.00 0.00 H new ATOM 220 N LEU A 18 -5.995 7.306 -3.053 1.00 0.00 N ATOM 221 CA LEU A 18 -5.018 6.446 -2.396 1.00 0.00 C ATOM 222 C LEU A 18 -5.471 6.086 -0.985 1.00 0.00 C ATOM 223 O LEU A 18 -5.467 4.917 -0.601 1.00 0.00 O ATOM 224 CB LEU A 18 -3.654 7.136 -2.345 1.00 0.00 C ATOM 225 CG LEU A 18 -2.883 7.198 -3.665 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.682 8.122 -3.539 1.00 0.00 C ATOM 227 CD2 LEU A 18 -2.444 5.805 -4.092 1.00 0.00 C ATOM 0 H LEU A 18 -5.626 8.207 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.932 5.527 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.798 8.154 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.036 6.621 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.545 7.600 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.146 8.153 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.020 9.125 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.017 7.751 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.897 5.868 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.799 5.376 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.321 5.172 -4.224 1.00 0.00 H new ATOM 239 N MET A 19 -5.863 7.098 -0.219 1.00 0.00 N ATOM 240 CA MET A 19 -6.323 6.887 1.149 1.00 0.00 C ATOM 241 C MET A 19 -7.309 5.726 1.218 1.00 0.00 C ATOM 242 O MET A 19 -7.146 4.808 2.022 1.00 0.00 O ATOM 243 CB MET A 19 -6.977 8.160 1.692 1.00 0.00 C ATOM 244 CG MET A 19 -5.992 9.123 2.334 1.00 0.00 C ATOM 245 SD MET A 19 -6.807 10.496 3.170 1.00 0.00 S ATOM 246 CE MET A 19 -7.562 11.338 1.780 1.00 0.00 C ATOM 0 H MET A 19 -5.872 8.072 -0.522 1.00 0.00 H new ATOM 0 HA MET A 19 -5.457 6.642 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.492 8.670 0.878 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.734 7.885 2.426 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.375 8.581 3.051 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.322 9.515 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.630 12.405 1.994 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.955 11.185 0.888 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.562 10.938 1.611 1.00 0.00 H new ATOM 256 N ASP A 20 -8.331 5.772 0.371 1.00 0.00 N ATOM 257 CA ASP A 20 -9.343 4.723 0.336 1.00 0.00 C ATOM 258 C ASP A 20 -8.699 3.352 0.151 1.00 0.00 C ATOM 259 O ASP A 20 -9.128 2.368 0.752 1.00 0.00 O ATOM 260 CB ASP A 20 -10.343 4.986 -0.791 1.00 0.00 C ATOM 261 CG ASP A 20 -11.689 4.338 -0.535 1.00 0.00 C ATOM 262 OD1 ASP A 20 -12.031 4.128 0.648 1.00 0.00 O ATOM 263 OD2 ASP A 20 -12.401 4.042 -1.517 1.00 0.00 O ATOM 0 H ASP A 20 -8.481 6.525 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.871 4.731 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.478 6.061 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.935 4.610 -1.729 1.00 0.00 H new ATOM 268 N GLU A 21 -7.667 3.297 -0.686 1.00 0.00 N ATOM 269 CA GLU A 21 -6.966 2.046 -0.951 1.00 0.00 C ATOM 270 C GLU A 21 -6.253 1.546 0.302 1.00 0.00 C ATOM 271 O GLU A 21 -6.440 0.404 0.722 1.00 0.00 O ATOM 272 CB GLU A 21 -5.956 2.233 -2.085 1.00 0.00 C ATOM 273 CG GLU A 21 -6.573 2.763 -3.369 1.00 0.00 C ATOM 274 CD GLU A 21 -7.801 1.980 -3.793 1.00 0.00 C ATOM 275 OE1 GLU A 21 -7.648 0.801 -4.175 1.00 0.00 O ATOM 276 OE2 GLU A 21 -8.912 2.546 -3.742 1.00 0.00 O ATOM 0 H GLU A 21 -7.299 4.103 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.704 1.301 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.176 2.920 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.473 1.278 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.844 3.810 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.831 2.727 -4.166 1.00 0.00 H new ATOM 283 N VAL A 22 -5.434 2.410 0.895 1.00 0.00 N ATOM 284 CA VAL A 22 -4.693 2.057 2.100 1.00 0.00 C ATOM 285 C VAL A 22 -5.623 1.503 3.174 1.00 0.00 C ATOM 286 O VAL A 22 -5.298 0.524 3.847 1.00 0.00 O ATOM 287 CB VAL A 22 -3.936 3.272 2.669 1.00 0.00 C ATOM 288 CG1 VAL A 22 -3.187 2.888 3.935 1.00 0.00 C ATOM 289 CG2 VAL A 22 -2.984 3.841 1.627 1.00 0.00 C ATOM 0 H VAL A 22 -5.267 3.359 0.560 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.973 1.290 1.816 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.661 4.044 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.658 3.758 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.895 2.531 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.470 2.099 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.457 4.699 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.262 3.077 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.550 4.155 0.750 1.00 0.00 H new ATOM 299 N THR A 23 -6.782 2.135 3.329 1.00 0.00 N ATOM 300 CA THR A 23 -7.759 1.706 4.322 1.00 0.00 C ATOM 301 C THR A 23 -8.412 0.390 3.918 1.00 0.00 C ATOM 302 O THR A 23 -8.338 -0.602 4.644 1.00 0.00 O ATOM 303 CB THR A 23 -8.855 2.769 4.527 1.00 0.00 C ATOM 304 OG1 THR A 23 -8.265 4.012 4.923 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.856 2.318 5.580 1.00 0.00 C ATOM 0 H THR A 23 -7.067 2.946 2.780 1.00 0.00 H new ATOM 0 HA THR A 23 -7.218 1.567 5.258 1.00 0.00 H new ATOM 0 HB THR A 23 -9.381 2.903 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.833 4.430 4.149 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.620 3.085 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.325 1.387 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.341 2.158 6.527 1.00 0.00 H new ATOM 313 N LYS A 24 -9.052 0.385 2.753 1.00 0.00 N ATOM 314 CA LYS A 24 -9.717 -0.811 2.249 1.00 0.00 C ATOM 315 C LYS A 24 -8.760 -1.999 2.231 1.00 0.00 C ATOM 316 O LYS A 24 -9.003 -3.011 2.887 1.00 0.00 O ATOM 317 CB LYS A 24 -10.264 -0.561 0.842 1.00 0.00 C ATOM 318 CG LYS A 24 -10.690 -1.828 0.121 1.00 0.00 C ATOM 319 CD LYS A 24 -10.848 -1.594 -1.372 1.00 0.00 C ATOM 320 CE LYS A 24 -12.258 -1.141 -1.719 1.00 0.00 C ATOM 321 NZ LYS A 24 -13.276 -2.160 -1.343 1.00 0.00 N ATOM 0 H LYS A 24 -9.124 1.197 2.140 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.546 -1.045 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.117 0.114 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.502 -0.055 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.951 -2.611 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.633 -2.184 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.132 -0.841 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.616 -2.512 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.475 -0.204 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.322 -0.941 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.093 -2.087 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.861 -3.110 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.587 -1.996 -0.364 1.00 0.00 H new ATOM 335 N GLN A 25 -7.674 -1.866 1.477 1.00 0.00 N ATOM 336 CA GLN A 25 -6.681 -2.929 1.375 1.00 0.00 C ATOM 337 C GLN A 25 -6.392 -3.537 2.743 1.00 0.00 C ATOM 338 O GLN A 25 -6.431 -4.755 2.914 1.00 0.00 O ATOM 339 CB GLN A 25 -5.389 -2.391 0.759 1.00 0.00 C ATOM 340 CG GLN A 25 -4.517 -3.470 0.136 1.00 0.00 C ATOM 341 CD GLN A 25 -5.262 -4.303 -0.889 1.00 0.00 C ATOM 342 OE1 GLN A 25 -6.083 -3.786 -1.647 1.00 0.00 O ATOM 343 NE2 GLN A 25 -4.979 -5.600 -0.916 1.00 0.00 N ATOM 0 H GLN A 25 -7.459 -1.034 0.928 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.085 -3.709 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.639 -1.653 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.817 -1.873 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.653 -3.005 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.136 -4.123 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.291 -5.986 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.449 -6.211 -1.584 1.00 0.00 H new ATOM 352 N GLY A 26 -6.100 -2.679 3.717 1.00 0.00 N ATOM 353 CA GLY A 26 -5.808 -3.151 5.058 1.00 0.00 C ATOM 354 C GLY A 26 -6.879 -4.082 5.592 1.00 0.00 C ATOM 355 O GLY A 26 -6.573 -5.091 6.225 1.00 0.00 O ATOM 0 H GLY A 26 -6.061 -1.666 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.849 -3.669 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.708 -2.296 5.727 1.00 0.00 H new ATOM 359 N ASN A 27 -8.138 -3.741 5.336 1.00 0.00 N ATOM 360 CA ASN A 27 -9.258 -4.553 5.798 1.00 0.00 C ATOM 361 C ASN A 27 -9.421 -5.798 4.930 1.00 0.00 C ATOM 362 O ASN A 27 -10.146 -6.726 5.290 1.00 0.00 O ATOM 363 CB ASN A 27 -10.550 -3.734 5.781 1.00 0.00 C ATOM 364 CG ASN A 27 -10.537 -2.614 6.803 1.00 0.00 C ATOM 365 OD1 ASN A 27 -10.577 -2.858 8.009 1.00 0.00 O ATOM 366 ND2 ASN A 27 -10.482 -1.376 6.324 1.00 0.00 N ATOM 0 H ASN A 27 -8.408 -2.909 4.812 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.049 -4.868 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.697 -3.313 4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.397 -4.392 5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.472 -0.582 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.450 -1.220 5.317 1.00 0.00 H new ATOM 373 N ILE A 28 -8.741 -5.810 3.789 1.00 0.00 N ATOM 374 CA ILE A 28 -8.809 -6.941 2.872 1.00 0.00 C ATOM 375 C ILE A 28 -7.705 -7.952 3.162 1.00 0.00 C ATOM 376 O ILE A 28 -7.903 -9.160 3.031 1.00 0.00 O ATOM 377 CB ILE A 28 -8.699 -6.484 1.405 1.00 0.00 C ATOM 378 CG1 ILE A 28 -9.881 -5.586 1.037 1.00 0.00 C ATOM 379 CG2 ILE A 28 -8.633 -7.689 0.478 1.00 0.00 C ATOM 380 CD1 ILE A 28 -9.764 -4.966 -0.337 1.00 0.00 C ATOM 0 H ILE A 28 -8.137 -5.050 3.477 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.779 -7.413 3.025 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.780 -5.909 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.800 -6.170 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.968 -4.792 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.556 -7.350 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.761 -8.293 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.535 -8.289 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.637 -4.342 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.863 -4.354 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.708 -5.754 -1.088 1.00 0.00 H new ATOM 392 N VAL A 29 -6.540 -7.449 3.560 1.00 0.00 N ATOM 393 CA VAL A 29 -5.404 -8.308 3.873 1.00 0.00 C ATOM 394 C VAL A 29 -5.598 -9.010 5.213 1.00 0.00 C ATOM 395 O VAL A 29 -5.048 -10.086 5.446 1.00 0.00 O ATOM 396 CB VAL A 29 -4.089 -7.507 3.911 1.00 0.00 C ATOM 397 CG1 VAL A 29 -2.993 -8.313 4.592 1.00 0.00 C ATOM 398 CG2 VAL A 29 -3.671 -7.103 2.506 1.00 0.00 C ATOM 0 H VAL A 29 -6.359 -6.452 3.673 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.344 -9.054 3.081 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.253 -6.599 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.071 -7.731 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.294 -8.547 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.827 -9.239 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.740 -6.538 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.524 -7.996 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.449 -6.485 2.059 1.00 0.00 H new ATOM 408 N ARG A 30 -6.384 -8.393 6.089 1.00 0.00 N ATOM 409 CA ARG A 30 -6.650 -8.958 7.406 1.00 0.00 C ATOM 410 C ARG A 30 -7.572 -10.170 7.302 1.00 0.00 C ATOM 411 O ARG A 30 -7.273 -11.237 7.837 1.00 0.00 O ATOM 412 CB ARG A 30 -7.278 -7.904 8.320 1.00 0.00 C ATOM 413 CG ARG A 30 -8.746 -7.641 8.028 1.00 0.00 C ATOM 414 CD ARG A 30 -9.286 -6.497 8.871 1.00 0.00 C ATOM 415 NE ARG A 30 -9.568 -6.913 10.242 1.00 0.00 N ATOM 416 CZ ARG A 30 -10.598 -7.680 10.580 1.00 0.00 C ATOM 417 NH1 ARG A 30 -11.439 -8.113 9.652 1.00 0.00 N ATOM 418 NH2 ARG A 30 -10.788 -8.016 11.850 1.00 0.00 N ATOM 0 H ARG A 30 -6.848 -7.502 5.910 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.700 -9.280 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.174 -8.226 9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.723 -6.971 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.871 -7.406 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.324 -8.544 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.563 -5.681 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.197 -6.109 8.415 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.939 -6.597 10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.296 -7.857 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.229 -8.702 9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.143 -7.685 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.579 -8.605 12.109 1.00 0.00 H new ATOM 432 N GLU A 31 -8.694 -9.996 6.610 1.00 0.00 N ATOM 433 CA GLU A 31 -9.659 -11.075 6.437 1.00 0.00 C ATOM 434 C GLU A 31 -9.019 -12.271 5.739 1.00 0.00 C ATOM 435 O GLU A 31 -9.299 -13.423 6.074 1.00 0.00 O ATOM 436 CB GLU A 31 -10.865 -10.586 5.633 1.00 0.00 C ATOM 437 CG GLU A 31 -10.489 -9.861 4.352 1.00 0.00 C ATOM 438 CD GLU A 31 -11.689 -9.571 3.471 1.00 0.00 C ATOM 439 OE1 GLU A 31 -12.737 -10.221 3.665 1.00 0.00 O ATOM 440 OE2 GLU A 31 -11.580 -8.694 2.589 1.00 0.00 O ATOM 0 H GLU A 31 -8.957 -9.119 6.161 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.994 -11.390 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.496 -11.439 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.461 -9.919 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.992 -8.924 4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.772 -10.464 3.795 1.00 0.00 H new ATOM 447 N LEU A 32 -8.160 -11.990 4.766 1.00 0.00 N ATOM 448 CA LEU A 32 -7.479 -13.042 4.018 1.00 0.00 C ATOM 449 C LEU A 32 -6.801 -14.029 4.963 1.00 0.00 C ATOM 450 O LEU A 32 -7.113 -15.220 4.962 1.00 0.00 O ATOM 451 CB LEU A 32 -6.445 -12.433 3.070 1.00 0.00 C ATOM 452 CG LEU A 32 -6.959 -12.023 1.690 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.878 -11.286 0.915 1.00 0.00 C ATOM 454 CD2 LEU A 32 -7.436 -13.242 0.914 1.00 0.00 C ATOM 0 H LEU A 32 -7.918 -11.043 4.476 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.225 -13.581 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.014 -11.555 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.637 -13.152 2.936 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.805 -11.349 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.262 -11.002 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.584 -10.391 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.012 -11.936 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.798 -12.931 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.609 -13.941 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.243 -13.729 1.461 1.00 0.00 H new ATOM 466 N LYS A 33 -5.873 -13.526 5.770 1.00 0.00 N ATOM 467 CA LYS A 33 -5.153 -14.362 6.723 1.00 0.00 C ATOM 468 C LYS A 33 -6.122 -15.093 7.647 1.00 0.00 C ATOM 469 O LYS A 33 -5.891 -16.242 8.020 1.00 0.00 O ATOM 470 CB LYS A 33 -4.186 -13.512 7.549 1.00 0.00 C ATOM 471 CG LYS A 33 -3.023 -12.958 6.744 1.00 0.00 C ATOM 472 CD LYS A 33 -2.069 -12.162 7.619 1.00 0.00 C ATOM 473 CE LYS A 33 -1.230 -11.197 6.795 1.00 0.00 C ATOM 474 NZ LYS A 33 -0.173 -10.542 7.613 1.00 0.00 N ATOM 0 H LYS A 33 -5.602 -12.543 5.783 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.586 -15.104 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.735 -12.683 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.795 -14.115 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.484 -13.778 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.403 -12.321 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.636 -11.606 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.414 -12.845 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.767 -11.734 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.876 -10.435 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.376 -9.892 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.615 -10.008 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.459 -11.267 8.008 1.00 0.00 H new ATOM 488 N ALA A 34 -7.207 -14.418 8.012 1.00 0.00 N ATOM 489 CA ALA A 34 -8.212 -15.004 8.889 1.00 0.00 C ATOM 490 C ALA A 34 -8.996 -16.098 8.173 1.00 0.00 C ATOM 491 O ALA A 34 -9.510 -17.020 8.805 1.00 0.00 O ATOM 492 CB ALA A 34 -9.156 -13.927 9.404 1.00 0.00 C ATOM 0 H ALA A 34 -7.412 -13.464 7.714 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.698 -15.457 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.902 -14.379 10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.588 -13.182 9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.655 -13.448 8.562 1.00 0.00 H new ATOM 498 N GLN A 35 -9.082 -15.989 6.851 1.00 0.00 N ATOM 499 CA GLN A 35 -9.805 -16.969 6.049 1.00 0.00 C ATOM 500 C GLN A 35 -8.855 -18.028 5.498 1.00 0.00 C ATOM 501 O GLN A 35 -9.126 -18.642 4.466 1.00 0.00 O ATOM 502 CB GLN A 35 -10.540 -16.278 4.900 1.00 0.00 C ATOM 503 CG GLN A 35 -11.668 -15.368 5.359 1.00 0.00 C ATOM 504 CD GLN A 35 -12.545 -14.901 4.213 1.00 0.00 C ATOM 505 OE1 GLN A 35 -13.666 -15.379 4.040 1.00 0.00 O ATOM 506 NE2 GLN A 35 -12.036 -13.963 3.424 1.00 0.00 N ATOM 0 H GLN A 35 -8.660 -15.232 6.313 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.535 -17.461 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.825 -15.693 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.946 -17.037 4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.281 -15.896 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.246 -14.500 5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.102 -13.596 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.579 -13.609 2.636 1.00 0.00 H new ATOM 515 N LYS A 36 -7.742 -18.235 6.192 1.00 0.00 N ATOM 516 CA LYS A 36 -6.751 -19.220 5.773 1.00 0.00 C ATOM 517 C LYS A 36 -6.668 -19.295 4.252 1.00 0.00 C ATOM 518 O LYS A 36 -6.439 -20.364 3.685 1.00 0.00 O ATOM 519 CB LYS A 36 -7.097 -20.597 6.344 1.00 0.00 C ATOM 520 CG LYS A 36 -8.445 -21.125 5.885 1.00 0.00 C ATOM 521 CD LYS A 36 -8.894 -22.311 6.722 1.00 0.00 C ATOM 522 CE LYS A 36 -9.980 -23.110 6.019 1.00 0.00 C ATOM 523 NZ LYS A 36 -9.409 -24.188 5.164 1.00 0.00 N ATOM 0 H LYS A 36 -7.503 -17.734 7.048 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.780 -18.908 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.321 -21.306 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.089 -20.542 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.189 -20.331 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.384 -21.420 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.040 -22.957 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.265 -21.959 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.646 -23.550 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.584 -22.441 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.181 -24.710 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.793 -23.767 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.854 -24.841 5.753 1.00 0.00 H new ATOM 537 N ALA A 37 -6.856 -18.155 3.596 1.00 0.00 N ATOM 538 CA ALA A 37 -6.799 -18.092 2.141 1.00 0.00 C ATOM 539 C ALA A 37 -5.457 -18.597 1.622 1.00 0.00 C ATOM 540 O ALA A 37 -4.452 -18.561 2.332 1.00 0.00 O ATOM 541 CB ALA A 37 -7.049 -16.669 1.664 1.00 0.00 C ATOM 0 H ALA A 37 -7.049 -17.262 4.049 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.580 -18.740 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.003 -16.637 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.034 -16.342 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.288 -16.007 2.079 1.00 0.00 H new ATOM 547 N ASP A 38 -5.449 -19.069 0.380 1.00 0.00 N ATOM 548 CA ASP A 38 -4.230 -19.582 -0.235 1.00 0.00 C ATOM 549 C ASP A 38 -3.086 -18.583 -0.091 1.00 0.00 C ATOM 550 O ASP A 38 -3.196 -17.432 -0.515 1.00 0.00 O ATOM 551 CB ASP A 38 -4.470 -19.892 -1.713 1.00 0.00 C ATOM 552 CG ASP A 38 -3.598 -21.026 -2.216 1.00 0.00 C ATOM 553 OD1 ASP A 38 -2.601 -21.353 -1.539 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.914 -21.587 -3.286 1.00 0.00 O ATOM 0 H ASP A 38 -6.273 -19.107 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.952 -20.501 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.518 -20.151 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.275 -18.998 -2.305 1.00 0.00 H new ATOM 559 N LYS A 39 -1.989 -19.029 0.512 1.00 0.00 N ATOM 560 CA LYS A 39 -0.825 -18.175 0.712 1.00 0.00 C ATOM 561 C LYS A 39 -0.488 -17.407 -0.562 1.00 0.00 C ATOM 562 O LYS A 39 0.067 -16.310 -0.507 1.00 0.00 O ATOM 563 CB LYS A 39 0.379 -19.013 1.148 1.00 0.00 C ATOM 564 CG LYS A 39 0.993 -19.828 0.023 1.00 0.00 C ATOM 565 CD LYS A 39 0.263 -21.147 -0.173 1.00 0.00 C ATOM 566 CE LYS A 39 0.812 -21.916 -1.365 1.00 0.00 C ATOM 567 NZ LYS A 39 0.561 -23.379 -1.244 1.00 0.00 N ATOM 0 H LYS A 39 -1.882 -19.978 0.871 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.063 -17.456 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.140 -18.352 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.071 -19.687 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.962 -19.253 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.043 -20.021 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.358 -21.754 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.800 -20.957 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.353 -21.543 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.884 -21.737 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.950 -23.868 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.020 -23.740 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.463 -23.552 -1.188 1.00 0.00 H new ATOM 581 N ASN A 40 -0.828 -17.989 -1.707 1.00 0.00 N ATOM 582 CA ASN A 40 -0.562 -17.358 -2.994 1.00 0.00 C ATOM 583 C ASN A 40 -1.543 -16.219 -3.254 1.00 0.00 C ATOM 584 O ASN A 40 -1.169 -15.176 -3.789 1.00 0.00 O ATOM 585 CB ASN A 40 -0.652 -18.391 -4.120 1.00 0.00 C ATOM 586 CG ASN A 40 -1.061 -17.770 -5.442 1.00 0.00 C ATOM 587 OD1 ASN A 40 -2.167 -17.247 -5.579 1.00 0.00 O ATOM 588 ND2 ASN A 40 -0.168 -17.827 -6.423 1.00 0.00 N ATOM 0 H ASN A 40 -1.288 -18.897 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 40 0.447 -16.946 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.314 -18.883 -4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.372 -19.162 -3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.387 -17.427 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.737 -18.270 -6.264 1.00 0.00 H new ATOM 595 N GLU A 41 -2.799 -16.428 -2.872 1.00 0.00 N ATOM 596 CA GLU A 41 -3.833 -15.418 -3.065 1.00 0.00 C ATOM 597 C GLU A 41 -3.578 -14.201 -2.180 1.00 0.00 C ATOM 598 O GLU A 41 -3.766 -13.061 -2.603 1.00 0.00 O ATOM 599 CB GLU A 41 -5.213 -16.004 -2.758 1.00 0.00 C ATOM 600 CG GLU A 41 -5.670 -17.045 -3.767 1.00 0.00 C ATOM 601 CD GLU A 41 -6.961 -17.727 -3.357 1.00 0.00 C ATOM 602 OE1 GLU A 41 -7.238 -17.793 -2.141 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.695 -18.194 -4.253 1.00 0.00 O ATOM 0 H GLU A 41 -3.125 -17.286 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.804 -15.100 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.194 -16.455 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.943 -15.195 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.807 -16.569 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.889 -17.796 -3.888 1.00 0.00 H new ATOM 610 N VAL A 42 -3.147 -14.453 -0.948 1.00 0.00 N ATOM 611 CA VAL A 42 -2.864 -13.380 -0.002 1.00 0.00 C ATOM 612 C VAL A 42 -1.649 -12.569 -0.439 1.00 0.00 C ATOM 613 O VAL A 42 -1.705 -11.343 -0.519 1.00 0.00 O ATOM 614 CB VAL A 42 -2.618 -13.931 1.415 1.00 0.00 C ATOM 615 CG1 VAL A 42 -2.416 -12.792 2.403 1.00 0.00 C ATOM 616 CG2 VAL A 42 -3.772 -14.824 1.846 1.00 0.00 C ATOM 0 H VAL A 42 -2.986 -15.391 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.741 -12.734 0.016 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.709 -14.532 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.244 -13.200 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.554 -12.197 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.305 -12.162 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.582 -15.205 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.697 -14.248 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.864 -15.660 1.152 1.00 0.00 H new ATOM 626 N ALA A 43 -0.551 -13.264 -0.720 1.00 0.00 N ATOM 627 CA ALA A 43 0.678 -12.609 -1.150 1.00 0.00 C ATOM 628 C ALA A 43 0.381 -11.461 -2.110 1.00 0.00 C ATOM 629 O ALA A 43 0.833 -10.335 -1.904 1.00 0.00 O ATOM 630 CB ALA A 43 1.612 -13.617 -1.803 1.00 0.00 C ATOM 0 H ALA A 43 -0.488 -14.280 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 43 1.167 -12.194 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.526 -13.114 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.858 -14.401 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.122 -14.058 -2.671 1.00 0.00 H new ATOM 636 N ALA A 44 -0.380 -11.755 -3.159 1.00 0.00 N ATOM 637 CA ALA A 44 -0.738 -10.748 -4.149 1.00 0.00 C ATOM 638 C ALA A 44 -1.185 -9.453 -3.479 1.00 0.00 C ATOM 639 O ALA A 44 -0.704 -8.372 -3.816 1.00 0.00 O ATOM 640 CB ALA A 44 -1.832 -11.274 -5.066 1.00 0.00 C ATOM 0 H ALA A 44 -0.760 -12.683 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 44 0.148 -10.531 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.089 -10.511 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.478 -12.167 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.714 -11.521 -4.475 1.00 0.00 H new ATOM 646 N GLU A 45 -2.107 -9.571 -2.529 1.00 0.00 N ATOM 647 CA GLU A 45 -2.619 -8.409 -1.813 1.00 0.00 C ATOM 648 C GLU A 45 -1.533 -7.785 -0.941 1.00 0.00 C ATOM 649 O GLU A 45 -1.349 -6.568 -0.935 1.00 0.00 O ATOM 650 CB GLU A 45 -3.819 -8.802 -0.948 1.00 0.00 C ATOM 651 CG GLU A 45 -5.031 -9.241 -1.753 1.00 0.00 C ATOM 652 CD GLU A 45 -5.293 -8.345 -2.948 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.533 -8.438 -3.935 1.00 0.00 O ATOM 654 OE2 GLU A 45 -6.256 -7.553 -2.897 1.00 0.00 O ATOM 0 H GLU A 45 -2.515 -10.459 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.938 -7.672 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.525 -9.611 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.097 -7.955 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.883 -10.265 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.909 -9.245 -1.107 1.00 0.00 H new ATOM 661 N VAL A 46 -0.815 -8.629 -0.205 1.00 0.00 N ATOM 662 CA VAL A 46 0.253 -8.162 0.670 1.00 0.00 C ATOM 663 C VAL A 46 1.221 -7.254 -0.080 1.00 0.00 C ATOM 664 O VAL A 46 1.418 -6.098 0.292 1.00 0.00 O ATOM 665 CB VAL A 46 1.037 -9.341 1.276 1.00 0.00 C ATOM 666 CG1 VAL A 46 2.102 -8.836 2.238 1.00 0.00 C ATOM 667 CG2 VAL A 46 0.092 -10.306 1.974 1.00 0.00 C ATOM 0 H VAL A 46 -0.954 -9.639 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.220 -7.598 1.474 1.00 0.00 H new ATOM 0 HB VAL A 46 1.535 -9.877 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.646 -9.683 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.796 -8.187 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.628 -8.275 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.663 -11.133 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.436 -9.785 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.629 -10.693 1.254 1.00 0.00 H new ATOM 677 N ALA A 47 1.822 -7.786 -1.140 1.00 0.00 N ATOM 678 CA ALA A 47 2.768 -7.023 -1.945 1.00 0.00 C ATOM 679 C ALA A 47 2.232 -5.628 -2.246 1.00 0.00 C ATOM 680 O ALA A 47 2.909 -4.626 -2.011 1.00 0.00 O ATOM 681 CB ALA A 47 3.077 -7.762 -3.238 1.00 0.00 C ATOM 0 H ALA A 47 1.670 -8.742 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 47 3.689 -6.914 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.785 -7.181 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.511 -8.735 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.157 -7.901 -3.806 1.00 0.00 H new ATOM 687 N LYS A 48 1.011 -5.568 -2.768 1.00 0.00 N ATOM 688 CA LYS A 48 0.383 -4.295 -3.102 1.00 0.00 C ATOM 689 C LYS A 48 0.268 -3.405 -1.869 1.00 0.00 C ATOM 690 O LYS A 48 0.819 -2.304 -1.831 1.00 0.00 O ATOM 691 CB LYS A 48 -1.004 -4.530 -3.706 1.00 0.00 C ATOM 692 CG LYS A 48 -1.767 -3.249 -3.993 1.00 0.00 C ATOM 693 CD LYS A 48 -3.269 -3.461 -3.896 1.00 0.00 C ATOM 694 CE LYS A 48 -3.838 -4.016 -5.193 1.00 0.00 C ATOM 695 NZ LYS A 48 -3.613 -5.483 -5.315 1.00 0.00 N ATOM 0 H LYS A 48 0.437 -6.387 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 48 1.011 -3.790 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.897 -5.094 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.589 -5.146 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.461 -2.476 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.513 -2.889 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.489 -4.147 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.757 -2.515 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.907 -3.808 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.377 -3.506 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.354 -5.899 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.682 -5.657 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.645 -5.919 -4.371 1.00 0.00 H new ATOM 709 N LEU A 49 -0.449 -3.889 -0.861 1.00 0.00 N ATOM 710 CA LEU A 49 -0.635 -3.138 0.376 1.00 0.00 C ATOM 711 C LEU A 49 0.670 -2.484 0.818 1.00 0.00 C ATOM 712 O LEU A 49 0.707 -1.293 1.128 1.00 0.00 O ATOM 713 CB LEU A 49 -1.158 -4.058 1.481 1.00 0.00 C ATOM 714 CG LEU A 49 -1.164 -3.473 2.894 1.00 0.00 C ATOM 715 CD1 LEU A 49 -2.279 -2.450 3.044 1.00 0.00 C ATOM 716 CD2 LEU A 49 -1.310 -4.580 3.928 1.00 0.00 C ATOM 0 H LEU A 49 -0.911 -4.798 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.368 -2.353 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.176 -4.355 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.554 -4.965 1.487 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.212 -2.969 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.267 -2.045 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.130 -1.642 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.240 -2.929 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.312 -4.146 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.246 -5.112 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.476 -5.276 3.836 1.00 0.00 H new ATOM 728 N LEU A 50 1.741 -3.270 0.841 1.00 0.00 N ATOM 729 CA LEU A 50 3.050 -2.768 1.243 1.00 0.00 C ATOM 730 C LEU A 50 3.440 -1.545 0.418 1.00 0.00 C ATOM 731 O LEU A 50 4.014 -0.590 0.941 1.00 0.00 O ATOM 732 CB LEU A 50 4.108 -3.862 1.086 1.00 0.00 C ATOM 733 CG LEU A 50 3.970 -5.067 2.017 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.660 -6.284 1.419 1.00 0.00 C ATOM 735 CD2 LEU A 50 4.543 -4.748 3.390 1.00 0.00 C ATOM 0 H LEU A 50 1.728 -4.258 0.586 1.00 0.00 H new ATOM 0 HA LEU A 50 2.993 -2.474 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.083 -4.219 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.090 -3.416 1.245 1.00 0.00 H new ATOM 0 HG LEU A 50 2.910 -5.295 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.552 -7.132 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.205 -6.525 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.719 -6.068 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.436 -5.617 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.599 -4.494 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.005 -3.904 3.822 1.00 0.00 H new ATOM 747 N ASP A 51 3.123 -1.582 -0.871 1.00 0.00 N ATOM 748 CA ASP A 51 3.437 -0.475 -1.767 1.00 0.00 C ATOM 749 C ASP A 51 2.456 0.676 -1.574 1.00 0.00 C ATOM 750 O ASP A 51 2.736 1.815 -1.952 1.00 0.00 O ATOM 751 CB ASP A 51 3.410 -0.946 -3.222 1.00 0.00 C ATOM 752 CG ASP A 51 4.509 -1.945 -3.529 1.00 0.00 C ATOM 753 OD1 ASP A 51 4.863 -2.731 -2.627 1.00 0.00 O ATOM 754 OD2 ASP A 51 5.015 -1.939 -4.671 1.00 0.00 O ATOM 0 H ASP A 51 2.649 -2.366 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 51 4.439 -0.118 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.442 -1.398 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.512 -0.084 -3.882 1.00 0.00 H new ATOM 759 N LEU A 52 1.305 0.373 -0.984 1.00 0.00 N ATOM 760 CA LEU A 52 0.281 1.383 -0.741 1.00 0.00 C ATOM 761 C LEU A 52 0.612 2.207 0.499 1.00 0.00 C ATOM 762 O LEU A 52 0.039 3.274 0.720 1.00 0.00 O ATOM 763 CB LEU A 52 -1.088 0.720 -0.576 1.00 0.00 C ATOM 764 CG LEU A 52 -1.705 0.130 -1.844 1.00 0.00 C ATOM 765 CD1 LEU A 52 -2.860 -0.797 -1.495 1.00 0.00 C ATOM 766 CD2 LEU A 52 -2.172 1.239 -2.776 1.00 0.00 C ATOM 0 H LEU A 52 1.057 -0.564 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 52 0.253 2.051 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.997 -0.075 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.780 1.457 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.941 -0.453 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.287 -1.207 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.497 -1.611 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.625 -0.238 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.608 0.800 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.920 1.849 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.322 1.863 -3.053 1.00 0.00 H new ATOM 778 N LYS A 53 1.542 1.706 1.305 1.00 0.00 N ATOM 779 CA LYS A 53 1.953 2.396 2.522 1.00 0.00 C ATOM 780 C LYS A 53 3.012 3.451 2.217 1.00 0.00 C ATOM 781 O LYS A 53 3.129 4.451 2.926 1.00 0.00 O ATOM 782 CB LYS A 53 2.496 1.394 3.543 1.00 0.00 C ATOM 783 CG LYS A 53 1.412 0.686 4.337 1.00 0.00 C ATOM 784 CD LYS A 53 1.970 -0.496 5.112 1.00 0.00 C ATOM 785 CE LYS A 53 0.886 -1.195 5.919 1.00 0.00 C ATOM 786 NZ LYS A 53 1.437 -2.306 6.743 1.00 0.00 N ATOM 0 H LYS A 53 2.026 0.824 1.137 1.00 0.00 H new ATOM 0 HA LYS A 53 1.078 2.894 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.099 0.649 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.159 1.915 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.948 1.389 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.630 0.342 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.424 -1.205 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.760 -0.154 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.393 -0.471 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.126 -1.587 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.667 -2.757 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.885 -3.010 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.144 -1.929 7.406 1.00 0.00 H new ATOM 800 N LYS A 54 3.780 3.223 1.158 1.00 0.00 N ATOM 801 CA LYS A 54 4.828 4.155 0.756 1.00 0.00 C ATOM 802 C LYS A 54 4.279 5.212 -0.197 1.00 0.00 C ATOM 803 O LYS A 54 4.694 6.370 -0.157 1.00 0.00 O ATOM 804 CB LYS A 54 5.981 3.401 0.090 1.00 0.00 C ATOM 805 CG LYS A 54 5.795 3.201 -1.404 1.00 0.00 C ATOM 806 CD LYS A 54 6.763 2.167 -1.953 1.00 0.00 C ATOM 807 CE LYS A 54 8.192 2.689 -1.960 1.00 0.00 C ATOM 808 NZ LYS A 54 8.482 3.494 -3.179 1.00 0.00 N ATOM 0 H LYS A 54 3.697 2.400 0.561 1.00 0.00 H new ATOM 0 HA LYS A 54 5.198 4.655 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.909 3.947 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.091 2.427 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.771 2.885 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.943 4.150 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.709 1.260 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.469 1.894 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.360 3.300 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.886 1.850 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.465 3.832 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.346 2.904 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.837 4.309 -3.218 1.00 0.00 H new ATOM 822 N GLN A 55 3.346 4.805 -1.051 1.00 0.00 N ATOM 823 CA GLN A 55 2.741 5.719 -2.013 1.00 0.00 C ATOM 824 C GLN A 55 1.931 6.799 -1.303 1.00 0.00 C ATOM 825 O GLN A 55 1.865 7.941 -1.760 1.00 0.00 O ATOM 826 CB GLN A 55 1.845 4.949 -2.985 1.00 0.00 C ATOM 827 CG GLN A 55 2.589 4.394 -4.189 1.00 0.00 C ATOM 828 CD GLN A 55 1.673 4.114 -5.363 1.00 0.00 C ATOM 829 OE1 GLN A 55 1.605 4.895 -6.313 1.00 0.00 O ATOM 830 NE2 GLN A 55 0.961 2.995 -5.306 1.00 0.00 N ATOM 0 H GLN A 55 2.993 3.849 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 55 3.543 6.201 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.368 4.126 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.049 5.608 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.358 5.103 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.099 3.474 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.048 2.376 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.327 2.754 -6.068 1.00 0.00 H new ATOM 839 N LEU A 56 1.317 6.431 -0.184 1.00 0.00 N ATOM 840 CA LEU A 56 0.510 7.369 0.589 1.00 0.00 C ATOM 841 C LEU A 56 1.375 8.489 1.160 1.00 0.00 C ATOM 842 O LEU A 56 1.205 9.656 0.812 1.00 0.00 O ATOM 843 CB LEU A 56 -0.211 6.638 1.722 1.00 0.00 C ATOM 844 CG LEU A 56 -1.543 7.242 2.170 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.347 8.673 2.645 1.00 0.00 C ATOM 846 CD2 LEU A 56 -2.560 7.187 1.040 1.00 0.00 C ATOM 0 H LEU A 56 1.362 5.491 0.208 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.230 7.811 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.389 5.609 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.455 6.598 2.584 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.925 6.654 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.305 9.086 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.653 8.686 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.942 9.274 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.502 7.621 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.185 7.751 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.723 6.150 0.747 1.00 0.00 H new ATOM 858 N ALA A 57 2.303 8.123 2.038 1.00 0.00 N ATOM 859 CA ALA A 57 3.197 9.095 2.654 1.00 0.00 C ATOM 860 C ALA A 57 3.785 10.039 1.611 1.00 0.00 C ATOM 861 O ALA A 57 3.792 11.257 1.794 1.00 0.00 O ATOM 862 CB ALA A 57 4.309 8.384 3.411 1.00 0.00 C ATOM 0 H ALA A 57 2.455 7.160 2.339 1.00 0.00 H new ATOM 0 HA ALA A 57 2.616 9.690 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.969 9.122 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.875 7.756 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.880 7.763 2.721 1.00 0.00 H new ATOM 868 N VAL A 58 4.278 9.470 0.515 1.00 0.00 N ATOM 869 CA VAL A 58 4.867 10.261 -0.558 1.00 0.00 C ATOM 870 C VAL A 58 3.845 11.217 -1.162 1.00 0.00 C ATOM 871 O VAL A 58 4.131 12.395 -1.373 1.00 0.00 O ATOM 872 CB VAL A 58 5.433 9.361 -1.673 1.00 0.00 C ATOM 873 CG1 VAL A 58 6.028 10.204 -2.790 1.00 0.00 C ATOM 874 CG2 VAL A 58 6.469 8.401 -1.108 1.00 0.00 C ATOM 0 H VAL A 58 4.281 8.464 0.347 1.00 0.00 H new ATOM 0 HA VAL A 58 5.681 10.836 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 58 4.616 8.773 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.423 9.551 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.255 10.846 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.833 10.821 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.858 7.773 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.286 8.968 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.006 7.773 -0.347 1.00 0.00 H new ATOM 884 N ALA A 59 2.651 10.702 -1.437 1.00 0.00 N ATOM 885 CA ALA A 59 1.584 11.510 -2.014 1.00 0.00 C ATOM 886 C ALA A 59 1.227 12.679 -1.102 1.00 0.00 C ATOM 887 O ALA A 59 1.034 13.802 -1.564 1.00 0.00 O ATOM 888 CB ALA A 59 0.357 10.652 -2.282 1.00 0.00 C ATOM 0 H ALA A 59 2.398 9.728 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 59 1.941 11.917 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.431 11.269 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.616 9.855 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.006 10.216 -1.346 1.00 0.00 H new ATOM 894 N GLU A 60 1.139 12.405 0.196 1.00 0.00 N ATOM 895 CA GLU A 60 0.802 13.434 1.172 1.00 0.00 C ATOM 896 C GLU A 60 1.995 14.351 1.429 1.00 0.00 C ATOM 897 O GLU A 60 1.830 15.532 1.733 1.00 0.00 O ATOM 898 CB GLU A 60 0.345 12.794 2.485 1.00 0.00 C ATOM 899 CG GLU A 60 -1.118 12.382 2.484 1.00 0.00 C ATOM 900 CD GLU A 60 -1.649 12.116 3.879 1.00 0.00 C ATOM 901 OE1 GLU A 60 -1.380 12.934 4.784 1.00 0.00 O ATOM 902 OE2 GLU A 60 -2.336 11.090 4.066 1.00 0.00 O ATOM 0 H GLU A 60 1.296 11.480 0.595 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.013 14.032 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.961 11.917 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.515 13.497 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.712 13.167 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.239 11.485 1.876 1.00 0.00 H new ATOM 909 N GLY A 61 3.197 13.797 1.306 1.00 0.00 N ATOM 910 CA GLY A 61 4.400 14.578 1.529 1.00 0.00 C ATOM 911 C GLY A 61 4.825 14.586 2.984 1.00 0.00 C ATOM 912 O GLY A 61 5.458 15.534 3.448 1.00 0.00 O ATOM 0 H GLY A 61 3.359 12.822 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.209 14.175 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.231 15.603 1.197 1.00 0.00 H new ATOM 916 N LYS A 62 4.474 13.528 3.707 1.00 0.00 N ATOM 917 CA LYS A 62 4.822 13.416 5.118 1.00 0.00 C ATOM 918 C LYS A 62 5.933 12.391 5.325 1.00 0.00 C ATOM 919 O LYS A 62 5.998 11.365 4.647 1.00 0.00 O ATOM 920 CB LYS A 62 3.592 13.022 5.938 1.00 0.00 C ATOM 921 CG LYS A 62 3.111 11.606 5.673 1.00 0.00 C ATOM 922 CD LYS A 62 2.385 11.029 6.876 1.00 0.00 C ATOM 923 CE LYS A 62 1.535 9.828 6.491 1.00 0.00 C ATOM 924 NZ LYS A 62 2.367 8.622 6.224 1.00 0.00 N ATOM 0 H LYS A 62 3.948 12.735 3.338 1.00 0.00 H new ATOM 0 HA LYS A 62 5.181 14.388 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.824 13.125 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.782 13.718 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.446 11.602 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.962 10.973 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.111 10.734 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.752 11.796 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.828 9.612 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.948 10.068 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.927 8.056 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.319 8.916 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.437 8.050 7.090 1.00 0.00 H new ATOM 938 N PRO A 63 6.828 12.672 6.284 1.00 0.00 N ATOM 939 CA PRO A 63 7.951 11.785 6.603 1.00 0.00 C ATOM 940 C PRO A 63 7.496 10.491 7.270 1.00 0.00 C ATOM 941 O PRO A 63 6.500 10.453 7.991 1.00 0.00 O ATOM 942 CB PRO A 63 8.796 12.618 7.571 1.00 0.00 C ATOM 943 CG PRO A 63 7.833 13.570 8.191 1.00 0.00 C ATOM 944 CD PRO A 63 6.812 13.877 7.131 1.00 0.00 C ATOM 0 HA PRO A 63 8.489 11.470 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.271 11.989 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.593 13.146 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.362 13.131 9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.339 14.478 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.826 14.053 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.076 14.770 6.565 1.00 0.00 H new ATOM 952 N PRO A 64 8.243 9.405 7.025 1.00 0.00 N ATOM 953 CA PRO A 64 7.937 8.089 7.593 1.00 0.00 C ATOM 954 C PRO A 64 8.179 8.037 9.098 1.00 0.00 C ATOM 955 O PRO A 64 9.321 8.081 9.553 1.00 0.00 O ATOM 956 CB PRO A 64 8.903 7.153 6.863 1.00 0.00 C ATOM 957 CG PRO A 64 10.041 8.025 6.456 1.00 0.00 C ATOM 958 CD PRO A 64 9.445 9.377 6.174 1.00 0.00 C ATOM 0 HA PRO A 64 6.888 7.824 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.237 6.344 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.429 6.691 5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.789 8.085 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.542 7.627 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.136 10.181 6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.194 9.493 5.120 1.00 0.00 H new ATOM 966 N GLU A 65 7.097 7.942 9.864 1.00 0.00 N ATOM 967 CA GLU A 65 7.193 7.884 11.318 1.00 0.00 C ATOM 968 C GLU A 65 8.347 8.746 11.821 1.00 0.00 C ATOM 969 O GLU A 65 9.194 8.285 12.585 1.00 0.00 O ATOM 970 CB GLU A 65 7.383 6.438 11.781 1.00 0.00 C ATOM 971 CG GLU A 65 6.180 5.550 11.512 1.00 0.00 C ATOM 972 CD GLU A 65 5.087 5.717 12.550 1.00 0.00 C ATOM 973 OE1 GLU A 65 4.621 6.859 12.742 1.00 0.00 O ATOM 974 OE2 GLU A 65 4.699 4.705 13.169 1.00 0.00 O ATOM 0 H GLU A 65 6.144 7.904 9.502 1.00 0.00 H new ATOM 0 HA GLU A 65 6.263 8.272 11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.254 6.016 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.596 6.433 12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.777 5.780 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.500 4.508 11.491 1.00 0.00 H new ATOM 981 N ALA A 66 8.374 10.002 11.385 1.00 0.00 N ATOM 982 CA ALA A 66 9.422 10.930 11.792 1.00 0.00 C ATOM 983 C ALA A 66 9.381 11.179 13.296 1.00 0.00 C ATOM 984 O ALA A 66 10.299 10.820 14.034 1.00 0.00 O ATOM 985 CB ALA A 66 9.288 12.242 11.034 1.00 0.00 C ATOM 0 H ALA A 66 7.682 10.400 10.750 1.00 0.00 H new ATOM 0 HA ALA A 66 10.385 10.480 11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.077 12.926 11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.375 12.054 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.316 12.687 11.247 1.00 0.00 H new ATOM 991 N PRO A 67 8.293 11.808 13.763 1.00 0.00 N ATOM 992 CA PRO A 67 8.107 12.120 15.183 1.00 0.00 C ATOM 993 C PRO A 67 7.865 10.870 16.024 1.00 0.00 C ATOM 994 O PRO A 67 8.519 10.661 17.046 1.00 0.00 O ATOM 995 CB PRO A 67 6.867 13.017 15.190 1.00 0.00 C ATOM 996 CG PRO A 67 6.118 12.639 13.959 1.00 0.00 C ATOM 997 CD PRO A 67 7.159 12.264 12.940 1.00 0.00 C ATOM 0 HA PRO A 67 8.991 12.588 15.617 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.266 12.854 16.085 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.142 14.072 15.178 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.444 11.805 14.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.506 13.468 13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.804 11.478 12.274 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.433 13.113 12.314 1.00 0.00 H new ATOM 1005 N LYS A 68 6.923 10.042 15.587 1.00 0.00 N ATOM 1006 CA LYS A 68 6.595 8.812 16.298 1.00 0.00 C ATOM 1007 C LYS A 68 6.934 7.588 15.452 1.00 0.00 C ATOM 1008 O LYS A 68 6.252 7.291 14.472 1.00 0.00 O ATOM 1009 CB LYS A 68 5.111 8.793 16.669 1.00 0.00 C ATOM 1010 CG LYS A 68 4.811 8.015 17.939 1.00 0.00 C ATOM 1011 CD LYS A 68 3.331 8.051 18.279 1.00 0.00 C ATOM 1012 CE LYS A 68 3.078 7.613 19.714 1.00 0.00 C ATOM 1013 NZ LYS A 68 3.303 8.724 20.680 1.00 0.00 N ATOM 0 H LYS A 68 6.373 10.200 14.743 1.00 0.00 H new ATOM 0 HA LYS A 68 7.191 8.779 17.210 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.762 9.819 16.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.545 8.359 15.845 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.132 6.981 17.817 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.385 8.432 18.766 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.947 9.061 18.133 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.784 7.400 17.597 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.054 7.251 19.808 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.735 6.779 19.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.121 8.386 21.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.287 9.053 20.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.659 9.510 20.461 1.00 0.00 H new ATOM 1027 N GLY A 69 7.992 6.882 15.839 1.00 0.00 N ATOM 1028 CA GLY A 69 8.401 5.698 15.106 1.00 0.00 C ATOM 1029 C GLY A 69 9.249 4.761 15.944 1.00 0.00 C ATOM 1030 O GLY A 69 9.351 4.925 17.160 1.00 0.00 O ATOM 0 H GLY A 69 8.573 7.109 16.646 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.516 5.167 14.756 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.963 5.998 14.221 1.00 0.00 H new ATOM 1034 N LYS A 70 9.857 3.775 15.294 1.00 0.00 N ATOM 1035 CA LYS A 70 10.699 2.807 15.986 1.00 0.00 C ATOM 1036 C LYS A 70 11.834 3.506 16.728 1.00 0.00 C ATOM 1037 O LYS A 70 12.035 4.712 16.582 1.00 0.00 O ATOM 1038 CB LYS A 70 11.273 1.795 14.991 1.00 0.00 C ATOM 1039 CG LYS A 70 10.260 0.767 14.518 1.00 0.00 C ATOM 1040 CD LYS A 70 10.675 0.143 13.196 1.00 0.00 C ATOM 1041 CE LYS A 70 11.542 -1.089 13.409 1.00 0.00 C ATOM 1042 NZ LYS A 70 10.754 -2.237 13.935 1.00 0.00 N ATOM 0 H LYS A 70 9.782 3.625 14.288 1.00 0.00 H new ATOM 0 HA LYS A 70 10.082 2.281 16.714 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.666 2.330 14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.113 1.278 15.455 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.153 -0.013 15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.284 1.240 14.408 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.787 -0.130 12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.222 0.876 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.010 -1.371 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.346 -0.851 14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.283 -3.120 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.586 -2.105 14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.842 -2.289 13.437 1.00 0.00 H new ATOM 1056 N LYS A 71 12.575 2.741 17.523 1.00 0.00 N ATOM 1057 CA LYS A 71 13.692 3.285 18.285 1.00 0.00 C ATOM 1058 C LYS A 71 15.021 2.964 17.609 1.00 0.00 C ATOM 1059 O LYS A 71 15.235 1.848 17.135 1.00 0.00 O ATOM 1060 CB LYS A 71 13.685 2.726 19.710 1.00 0.00 C ATOM 1061 CG LYS A 71 14.433 3.593 20.708 1.00 0.00 C ATOM 1062 CD LYS A 71 13.523 4.640 21.328 1.00 0.00 C ATOM 1063 CE LYS A 71 12.782 4.089 22.537 1.00 0.00 C ATOM 1064 NZ LYS A 71 11.594 3.285 22.140 1.00 0.00 N ATOM 0 H LYS A 71 12.421 1.741 17.656 1.00 0.00 H new ATOM 0 HA LYS A 71 13.577 4.368 18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.653 2.613 20.042 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.128 1.730 19.703 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.855 2.965 21.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.269 4.085 20.210 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.113 5.506 21.626 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.804 4.984 20.585 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.459 3.470 23.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.466 4.914 23.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.865 3.354 22.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.213 3.648 21.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.872 2.290 22.020 1.00 0.00 H new ATOM 1078 N LYS A 72 15.912 3.949 17.568 1.00 0.00 N ATOM 1079 CA LYS A 72 17.222 3.771 16.952 1.00 0.00 C ATOM 1080 C LYS A 72 17.764 2.371 17.221 1.00 0.00 C ATOM 1081 O LYS A 72 18.298 2.096 18.296 1.00 0.00 O ATOM 1082 CB LYS A 72 18.203 4.819 17.480 1.00 0.00 C ATOM 1083 CG LYS A 72 17.829 6.244 17.110 1.00 0.00 C ATOM 1084 CD LYS A 72 18.004 6.497 15.622 1.00 0.00 C ATOM 1085 CE LYS A 72 18.261 7.969 15.333 1.00 0.00 C ATOM 1086 NZ LYS A 72 19.570 8.421 15.879 1.00 0.00 N ATOM 0 H LYS A 72 15.751 4.879 17.954 1.00 0.00 H new ATOM 0 HA LYS A 72 17.110 3.897 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.259 4.737 18.565 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.198 4.601 17.092 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.794 6.435 17.393 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.448 6.942 17.674 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.835 5.901 15.246 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.111 6.171 15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.239 8.137 14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.460 8.569 15.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.907 9.242 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.456 8.689 16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.263 7.649 15.805 1.00 0.00 H new ATOM 1100 N LYS A 73 17.625 1.488 16.238 1.00 0.00 N ATOM 1101 CA LYS A 73 18.103 0.117 16.366 1.00 0.00 C ATOM 1102 C LYS A 73 19.520 -0.019 15.819 1.00 0.00 C ATOM 1103 O LYS A 73 19.762 0.208 14.633 1.00 0.00 O ATOM 1104 CB LYS A 73 17.166 -0.843 15.629 1.00 0.00 C ATOM 1105 CG LYS A 73 17.232 -2.271 16.142 1.00 0.00 C ATOM 1106 CD LYS A 73 16.300 -3.186 15.366 1.00 0.00 C ATOM 1107 CE LYS A 73 14.842 -2.912 15.703 1.00 0.00 C ATOM 1108 NZ LYS A 73 13.959 -4.045 15.311 1.00 0.00 N ATOM 0 H LYS A 73 17.184 1.698 15.342 1.00 0.00 H new ATOM 0 HA LYS A 73 18.115 -0.139 17.425 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.142 -0.480 15.720 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.413 -0.835 14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.255 -2.640 16.063 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.967 -2.291 17.199 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.460 -3.048 14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.538 -4.226 15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.745 -2.730 16.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.516 -2.005 15.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.974 -3.819 15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.032 -4.203 14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.253 -4.905 15.816 1.00 0.00 H new ATOM 1122 N SER A 74 20.453 -0.393 16.689 1.00 0.00 N ATOM 1123 CA SER A 74 21.846 -0.557 16.293 1.00 0.00 C ATOM 1124 C SER A 74 22.379 -1.918 16.730 1.00 0.00 C ATOM 1125 O SER A 74 22.112 -2.374 17.841 1.00 0.00 O ATOM 1126 CB SER A 74 22.705 0.557 16.896 1.00 0.00 C ATOM 1127 OG SER A 74 24.045 0.469 16.445 1.00 0.00 O ATOM 0 H SER A 74 20.269 -0.588 17.673 1.00 0.00 H new ATOM 0 HA SER A 74 21.898 -0.498 15.206 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.290 1.528 16.625 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.679 0.492 17.984 1.00 0.00 H new ATOM 0 HG SER A 74 24.572 1.193 16.843 1.00 0.00 H new ATOM 1133 N GLY A 75 23.135 -2.562 15.846 1.00 0.00 N ATOM 1134 CA GLY A 75 23.694 -3.865 16.158 1.00 0.00 C ATOM 1135 C GLY A 75 25.200 -3.906 15.987 1.00 0.00 C ATOM 1136 O GLY A 75 25.819 -2.951 15.518 1.00 0.00 O ATOM 0 H GLY A 75 23.370 -2.205 14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.441 -4.129 17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.238 -4.616 15.514 1.00 0.00 H new ATOM 1140 N PRO A 76 25.812 -5.034 16.374 1.00 0.00 N ATOM 1141 CA PRO A 76 27.263 -5.223 16.272 1.00 0.00 C ATOM 1142 C PRO A 76 27.730 -5.349 14.826 1.00 0.00 C ATOM 1143 O PRO A 76 28.836 -4.932 14.483 1.00 0.00 O ATOM 1144 CB PRO A 76 27.504 -6.531 17.028 1.00 0.00 C ATOM 1145 CG PRO A 76 26.211 -7.266 16.939 1.00 0.00 C ATOM 1146 CD PRO A 76 25.137 -6.214 16.941 1.00 0.00 C ATOM 0 HA PRO A 76 27.815 -4.374 16.676 1.00 0.00 H new ATOM 0 HB2 PRO A 76 28.316 -7.103 16.579 1.00 0.00 H new ATOM 0 HB3 PRO A 76 27.782 -6.343 18.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 26.166 -7.868 16.032 1.00 0.00 H new ATOM 0 HG3 PRO A 76 26.091 -7.948 17.781 1.00 0.00 H new ATOM 0 HD2 PRO A 76 24.280 -6.514 16.339 1.00 0.00 H new ATOM 0 HD3 PRO A 76 24.767 -6.020 17.948 1.00 0.00 H new ATOM 1154 N SER A 77 26.881 -5.927 13.982 1.00 0.00 N ATOM 1155 CA SER A 77 27.209 -6.111 12.574 1.00 0.00 C ATOM 1156 C SER A 77 26.680 -4.950 11.737 1.00 0.00 C ATOM 1157 O SER A 77 26.085 -4.010 12.264 1.00 0.00 O ATOM 1158 CB SER A 77 26.627 -7.430 12.061 1.00 0.00 C ATOM 1159 OG SER A 77 25.212 -7.421 12.122 1.00 0.00 O ATOM 0 H SER A 77 25.961 -6.276 14.250 1.00 0.00 H new ATOM 0 HA SER A 77 28.295 -6.140 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.949 -7.598 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 77 27.014 -8.258 12.655 1.00 0.00 H new ATOM 0 HG SER A 77 24.865 -8.274 11.787 1.00 0.00 H new ATOM 1165 N SER A 78 26.903 -5.023 10.428 1.00 0.00 N ATOM 1166 CA SER A 78 26.453 -3.977 9.517 1.00 0.00 C ATOM 1167 C SER A 78 26.098 -4.561 8.153 1.00 0.00 C ATOM 1168 O SER A 78 26.614 -5.606 7.759 1.00 0.00 O ATOM 1169 CB SER A 78 27.536 -2.907 9.361 1.00 0.00 C ATOM 1170 OG SER A 78 27.088 -1.846 8.536 1.00 0.00 O ATOM 0 H SER A 78 27.392 -5.795 9.975 1.00 0.00 H new ATOM 0 HA SER A 78 25.559 -3.520 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.812 -2.518 10.341 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.433 -3.353 8.931 1.00 0.00 H new ATOM 0 HG SER A 78 27.797 -1.174 8.453 1.00 0.00 H new ATOM 1176 N GLY A 79 25.212 -3.876 7.435 1.00 0.00 N ATOM 1177 CA GLY A 79 24.803 -4.341 6.123 1.00 0.00 C ATOM 1178 C GLY A 79 25.114 -3.338 5.030 1.00 0.00 C ATOM 1179 O GLY A 79 25.270 -2.147 5.297 1.00 0.00 O ATOM 0 H GLY A 79 24.771 -3.008 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 79 25.306 -5.283 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 79 23.732 -4.545 6.131 1.00 0.00 H new TER 1183 GLY A 79