USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ -155:sc= 2.46 (180deg=1.05) USER MOD Set 1.2: A 10 TYR OH : rot 15:sc= 0.934 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Set 2.2: A 6 SER OG : rot -160:sc= -0.0359 USER MOD Single : A 8 SER OG : rot -23:sc= 0.0754 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 16:sc= 0.333 USER MOD Single : A 34 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -92:sc= 1.43 USER MOD Single : A 46 HIS : no HD1:sc= -0.847 K(o=-0.85,f=-4.3) USER MOD Single : A 50 SER OG : rot -95:sc= 1.31 USER MOD Single : A 54 TYR OH : rot 2:sc= 0.941 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -167:sc= 1.34 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.28 (180deg=0.944) USER MOD Single : A 78 ASN : amide:sc= 1.13 K(o=1.1,f=-0.061) USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 14.180 7.880 -6.741 1.00 0.00 N ATOM 2 CA GLU A 2 13.120 8.605 -6.056 1.00 0.00 C ATOM 3 C GLU A 2 12.135 9.140 -7.055 1.00 0.00 C ATOM 4 O GLU A 2 12.498 9.501 -8.182 1.00 0.00 O ATOM 5 CB GLU A 2 13.662 9.764 -5.175 1.00 0.00 C ATOM 6 CG GLU A 2 14.384 10.890 -5.924 1.00 0.00 C ATOM 7 CD GLU A 2 15.707 10.468 -6.507 1.00 0.00 C ATOM 8 OE1 GLU A 2 15.733 9.924 -7.632 1.00 0.00 O ATOM 9 OE2 GLU A 2 16.738 10.655 -5.847 1.00 0.00 O ATOM 0 HA GLU A 2 12.627 7.897 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.827 10.197 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.348 9.345 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.741 11.253 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.546 11.725 -5.242 1.00 0.00 H new ATOM 16 N LEU A 3 10.895 9.172 -6.666 1.00 0.00 N ATOM 17 CA LEU A 3 9.863 9.673 -7.511 1.00 0.00 C ATOM 18 C LEU A 3 8.907 10.543 -6.738 1.00 0.00 C ATOM 19 O LEU A 3 8.474 11.599 -7.196 1.00 0.00 O ATOM 20 CB LEU A 3 9.116 8.553 -8.266 1.00 0.00 C ATOM 21 CG LEU A 3 8.395 7.459 -7.444 1.00 0.00 C ATOM 22 CD1 LEU A 3 7.460 6.673 -8.344 1.00 0.00 C ATOM 23 CD2 LEU A 3 9.390 6.494 -6.811 1.00 0.00 C ATOM 0 H LEU A 3 10.575 8.850 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 3 10.348 10.287 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.374 9.026 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.835 8.057 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 3 7.834 7.955 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.955 5.904 -7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.719 7.346 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.034 6.204 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.851 5.738 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.975 6.010 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.057 7.043 -6.146 1.00 0.00 H new ATOM 35 N LYS A 4 8.641 10.118 -5.559 1.00 0.00 N ATOM 36 CA LYS A 4 7.715 10.792 -4.696 1.00 0.00 C ATOM 37 C LYS A 4 8.433 11.696 -3.719 1.00 0.00 C ATOM 38 O LYS A 4 9.663 11.755 -3.677 1.00 0.00 O ATOM 39 CB LYS A 4 6.930 9.794 -3.863 1.00 0.00 C ATOM 40 CG LYS A 4 7.819 8.934 -2.979 1.00 0.00 C ATOM 41 CD LYS A 4 7.020 8.289 -1.913 1.00 0.00 C ATOM 42 CE LYS A 4 7.802 7.243 -1.130 1.00 0.00 C ATOM 43 NZ LYS A 4 8.327 6.115 -1.964 1.00 0.00 N ATOM 0 H LYS A 4 9.060 9.282 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 4 7.056 11.370 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.216 10.331 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.352 9.150 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.314 8.173 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.602 9.548 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.658 9.054 -1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.143 7.820 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.639 7.731 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.160 6.834 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.459 5.274 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.649 5.899 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.239 6.388 -2.383 1.00 0.00 H new ATOM 57 N HIS A 5 7.643 12.389 -2.952 1.00 0.00 N ATOM 58 CA HIS A 5 8.105 13.144 -1.810 1.00 0.00 C ATOM 59 C HIS A 5 7.288 12.690 -0.591 1.00 0.00 C ATOM 60 O HIS A 5 7.712 12.826 0.541 1.00 0.00 O ATOM 61 CB HIS A 5 7.972 14.676 -2.052 1.00 0.00 C ATOM 62 CG HIS A 5 6.568 15.146 -2.304 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.928 15.016 -3.511 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.660 15.687 -1.454 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.682 15.450 -3.368 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.460 15.877 -2.130 1.00 0.00 N ATOM 0 H HIS A 5 6.636 12.450 -3.101 1.00 0.00 H new ATOM 0 HA HIS A 5 9.165 12.956 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.369 15.204 -1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.593 14.952 -2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.840 15.931 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.944 15.455 -4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.593 16.262 -1.755 1.00 0.00 H new ATOM 74 N SER A 6 6.121 12.103 -0.867 1.00 0.00 N ATOM 75 CA SER A 6 5.214 11.614 0.145 1.00 0.00 C ATOM 76 C SER A 6 4.303 10.585 -0.510 1.00 0.00 C ATOM 77 O SER A 6 4.424 10.346 -1.724 1.00 0.00 O ATOM 78 CB SER A 6 4.374 12.779 0.654 1.00 0.00 C ATOM 79 OG SER A 6 3.612 13.351 -0.408 1.00 0.00 O ATOM 0 H SER A 6 5.785 11.957 -1.819 1.00 0.00 H new ATOM 0 HA SER A 6 5.759 11.168 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.706 12.435 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.022 13.537 1.093 1.00 0.00 H new ATOM 0 HG SER A 6 3.337 14.258 -0.161 1.00 0.00 H new ATOM 85 N ILE A 7 3.386 9.998 0.247 1.00 0.00 N ATOM 86 CA ILE A 7 2.410 9.073 -0.316 1.00 0.00 C ATOM 87 C ILE A 7 1.410 9.857 -1.163 1.00 0.00 C ATOM 88 O ILE A 7 0.825 9.340 -2.104 1.00 0.00 O ATOM 89 CB ILE A 7 1.646 8.265 0.776 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.751 7.204 0.128 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.830 9.176 1.688 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.023 6.345 1.119 1.00 0.00 C ATOM 0 H ILE A 7 3.297 10.145 1.252 1.00 0.00 H new ATOM 0 HA ILE A 7 2.955 8.352 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 7 2.389 7.765 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.023 7.698 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.362 6.567 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.313 8.574 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.495 9.881 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.099 9.725 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.591 5.617 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.745 5.822 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.615 6.971 1.744 1.00 0.00 H new ATOM 104 N SER A 8 1.288 11.132 -0.847 1.00 0.00 N ATOM 105 CA SER A 8 0.398 12.015 -1.518 1.00 0.00 C ATOM 106 C SER A 8 0.929 12.334 -2.927 1.00 0.00 C ATOM 107 O SER A 8 0.234 12.962 -3.723 1.00 0.00 O ATOM 108 CB SER A 8 0.212 13.295 -0.665 1.00 0.00 C ATOM 109 OG SER A 8 -0.783 14.176 -1.189 1.00 0.00 O ATOM 0 H SER A 8 1.822 11.576 -0.100 1.00 0.00 H new ATOM 0 HA SER A 8 -0.577 11.543 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.061 13.011 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.162 13.825 -0.603 1.00 0.00 H new ATOM 0 HG SER A 8 -0.896 14.009 -2.148 1.00 0.00 H new ATOM 115 N ASP A 9 2.172 11.929 -3.232 1.00 0.00 N ATOM 116 CA ASP A 9 2.689 12.136 -4.590 1.00 0.00 C ATOM 117 C ASP A 9 2.224 11.008 -5.489 1.00 0.00 C ATOM 118 O ASP A 9 1.969 11.205 -6.682 1.00 0.00 O ATOM 119 CB ASP A 9 4.214 12.230 -4.628 1.00 0.00 C ATOM 120 CG ASP A 9 4.737 12.609 -6.015 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.822 13.821 -6.320 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.088 11.720 -6.804 1.00 0.00 O ATOM 0 H ASP A 9 2.815 11.474 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 9 2.297 13.089 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.549 12.970 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.643 11.273 -4.329 1.00 0.00 H new ATOM 127 N TYR A 10 2.088 9.827 -4.902 1.00 0.00 N ATOM 128 CA TYR A 10 1.606 8.677 -5.627 1.00 0.00 C ATOM 129 C TYR A 10 0.155 8.850 -5.911 1.00 0.00 C ATOM 130 O TYR A 10 -0.614 9.213 -5.023 1.00 0.00 O ATOM 131 CB TYR A 10 1.735 7.372 -4.825 1.00 0.00 C ATOM 132 CG TYR A 10 3.113 6.802 -4.652 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.775 6.207 -5.714 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.736 6.805 -3.423 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.020 5.639 -5.549 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.964 6.245 -3.263 1.00 0.00 C ATOM 137 CZ TYR A 10 5.604 5.662 -4.315 1.00 0.00 C ATOM 138 OH TYR A 10 6.854 5.110 -4.120 1.00 0.00 O ATOM 0 H TYR A 10 2.308 9.648 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 10 2.210 8.607 -6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.314 7.542 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.116 6.616 -5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.308 6.188 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.242 7.258 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.527 5.181 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.437 6.262 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 10 7.285 4.961 -4.988 1.00 0.00 H new ATOM 148 N THR A 11 -0.231 8.608 -7.115 1.00 0.00 N ATOM 149 CA THR A 11 -1.621 8.589 -7.438 1.00 0.00 C ATOM 150 C THR A 11 -2.120 7.230 -6.966 1.00 0.00 C ATOM 151 O THR A 11 -1.282 6.328 -6.732 1.00 0.00 O ATOM 152 CB THR A 11 -1.814 8.722 -8.970 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.759 9.540 -9.501 1.00 0.00 O ATOM 154 CG2 THR A 11 -3.148 9.392 -9.302 1.00 0.00 C ATOM 0 H THR A 11 0.396 8.419 -7.897 1.00 0.00 H new ATOM 0 HA THR A 11 -2.162 9.411 -6.969 1.00 0.00 H new ATOM 0 HB THR A 11 -1.799 7.723 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.871 9.629 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.256 9.472 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.966 8.794 -8.899 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.175 10.388 -8.860 1.00 0.00 H new ATOM 162 N GLU A 12 -3.435 7.075 -6.801 1.00 0.00 N ATOM 163 CA GLU A 12 -4.032 5.793 -6.393 1.00 0.00 C ATOM 164 C GLU A 12 -3.424 4.653 -7.205 1.00 0.00 C ATOM 165 O GLU A 12 -2.997 3.651 -6.659 1.00 0.00 O ATOM 166 CB GLU A 12 -5.535 5.815 -6.632 1.00 0.00 C ATOM 167 CG GLU A 12 -6.248 4.545 -6.199 1.00 0.00 C ATOM 168 CD GLU A 12 -7.668 4.492 -6.681 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.523 5.226 -6.141 1.00 0.00 O ATOM 170 OE2 GLU A 12 -7.963 3.728 -7.619 1.00 0.00 O ATOM 0 H GLU A 12 -4.113 7.823 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.831 5.641 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.965 6.662 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.721 5.980 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.706 3.680 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.234 4.477 -5.111 1.00 0.00 H new ATOM 177 N ALA A 13 -3.325 4.885 -8.496 1.00 0.00 N ATOM 178 CA ALA A 13 -2.786 3.928 -9.443 1.00 0.00 C ATOM 179 C ALA A 13 -1.337 3.549 -9.146 1.00 0.00 C ATOM 180 O ALA A 13 -1.010 2.376 -9.107 1.00 0.00 O ATOM 181 CB ALA A 13 -2.895 4.466 -10.846 1.00 0.00 C ATOM 0 H ALA A 13 -3.622 5.760 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.382 3.021 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.487 3.738 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.942 4.652 -11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.335 5.398 -10.923 1.00 0.00 H new ATOM 187 N GLU A 14 -0.488 4.535 -8.904 1.00 0.00 N ATOM 188 CA GLU A 14 0.933 4.280 -8.663 1.00 0.00 C ATOM 189 C GLU A 14 1.154 3.631 -7.330 1.00 0.00 C ATOM 190 O GLU A 14 2.108 2.883 -7.137 1.00 0.00 O ATOM 191 CB GLU A 14 1.761 5.548 -8.788 1.00 0.00 C ATOM 192 CG GLU A 14 1.765 6.126 -10.177 1.00 0.00 C ATOM 193 CD GLU A 14 2.208 5.121 -11.215 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.375 4.718 -11.209 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.391 4.735 -12.062 1.00 0.00 O ATOM 0 H GLU A 14 -0.752 5.519 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 14 1.268 3.588 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.376 6.294 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.787 5.334 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.765 6.482 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.427 6.991 -10.206 1.00 0.00 H new ATOM 202 N PHE A 15 0.280 3.900 -6.417 1.00 0.00 N ATOM 203 CA PHE A 15 0.338 3.256 -5.146 1.00 0.00 C ATOM 204 C PHE A 15 -0.189 1.863 -5.289 1.00 0.00 C ATOM 205 O PHE A 15 0.248 0.981 -4.647 1.00 0.00 O ATOM 206 CB PHE A 15 -0.419 4.031 -4.093 1.00 0.00 C ATOM 207 CG PHE A 15 -0.259 3.459 -2.728 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.814 3.830 -1.942 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.176 2.546 -2.225 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.969 3.310 -0.685 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.024 2.031 -0.973 1.00 0.00 C ATOM 212 CZ PHE A 15 0.047 2.411 -0.203 1.00 0.00 C ATOM 0 H PHE A 15 -0.486 4.564 -6.528 1.00 0.00 H new ATOM 0 HA PHE A 15 1.374 3.217 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.074 5.065 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.477 4.049 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.537 4.536 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.017 2.242 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.811 3.604 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.745 1.325 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.166 2.001 0.789 1.00 0.00 H new ATOM 222 N LEU A 16 -1.117 1.676 -6.146 1.00 0.00 N ATOM 223 CA LEU A 16 -1.652 0.359 -6.398 1.00 0.00 C ATOM 224 C LEU A 16 -0.595 -0.507 -7.064 1.00 0.00 C ATOM 225 O LEU A 16 -0.591 -1.732 -6.960 1.00 0.00 O ATOM 226 CB LEU A 16 -2.937 0.511 -7.199 1.00 0.00 C ATOM 227 CG LEU A 16 -3.783 -0.695 -7.343 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.223 -0.289 -7.442 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.441 -1.450 -8.557 1.00 0.00 C ATOM 0 H LEU A 16 -1.540 2.419 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.911 -0.158 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.537 1.293 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.675 0.863 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.611 -1.324 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.845 -1.178 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.512 0.251 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.360 0.356 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.081 -2.329 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.589 -0.818 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.398 -1.764 -8.509 1.00 0.00 H new ATOM 241 N GLU A 17 0.306 0.138 -7.692 1.00 0.00 N ATOM 242 CA GLU A 17 1.445 -0.513 -8.238 1.00 0.00 C ATOM 243 C GLU A 17 2.417 -0.925 -7.118 1.00 0.00 C ATOM 244 O GLU A 17 3.228 -1.813 -7.321 1.00 0.00 O ATOM 245 CB GLU A 17 2.152 0.368 -9.247 1.00 0.00 C ATOM 246 CG GLU A 17 1.305 0.734 -10.437 1.00 0.00 C ATOM 247 CD GLU A 17 0.893 -0.462 -11.235 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.696 -0.924 -12.076 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.238 -0.946 -11.085 1.00 0.00 O ATOM 0 H GLU A 17 0.281 1.146 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 17 1.101 -1.409 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.478 1.282 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.049 -0.143 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.415 1.264 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.860 1.420 -11.077 1.00 0.00 H new ATOM 256 N PHE A 18 2.310 -0.274 -5.922 1.00 0.00 N ATOM 257 CA PHE A 18 3.170 -0.607 -4.751 1.00 0.00 C ATOM 258 C PHE A 18 3.006 -2.050 -4.460 1.00 0.00 C ATOM 259 O PHE A 18 3.956 -2.807 -4.438 1.00 0.00 O ATOM 260 CB PHE A 18 2.829 0.252 -3.426 1.00 0.00 C ATOM 261 CG PHE A 18 1.979 -0.424 -2.241 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.582 -0.548 -2.286 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.606 -0.914 -1.105 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.133 -1.143 -1.235 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.886 -1.501 -0.067 1.00 0.00 C ATOM 266 CZ PHE A 18 0.528 -1.612 -0.137 1.00 0.00 C ATOM 0 H PHE A 18 1.642 0.477 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 18 4.197 -0.357 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.776 0.585 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.291 1.145 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.046 -0.178 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.680 -0.838 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.208 -1.230 -1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.408 -1.872 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.021 -2.069 0.673 1.00 0.00 H new ATOM 276 N VAL A 19 1.781 -2.418 -4.338 1.00 0.00 N ATOM 277 CA VAL A 19 1.413 -3.732 -3.927 1.00 0.00 C ATOM 278 C VAL A 19 1.666 -4.752 -5.012 1.00 0.00 C ATOM 279 O VAL A 19 2.136 -5.853 -4.730 1.00 0.00 O ATOM 280 CB VAL A 19 -0.041 -3.771 -3.391 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.050 -3.349 -4.423 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.375 -5.099 -2.760 1.00 0.00 C ATOM 0 H VAL A 19 0.988 -1.804 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 19 2.058 -4.011 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.100 -3.027 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.051 -3.395 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.839 -2.328 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.993 -4.017 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.403 -5.082 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.264 -5.892 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.300 -5.285 -1.925 1.00 0.00 H new ATOM 292 N LYS A 20 1.405 -4.374 -6.251 1.00 0.00 N ATOM 293 CA LYS A 20 1.686 -5.251 -7.364 1.00 0.00 C ATOM 294 C LYS A 20 3.187 -5.544 -7.416 1.00 0.00 C ATOM 295 O LYS A 20 3.616 -6.675 -7.639 1.00 0.00 O ATOM 296 CB LYS A 20 1.266 -4.631 -8.676 1.00 0.00 C ATOM 297 CG LYS A 20 -0.216 -4.442 -8.806 1.00 0.00 C ATOM 298 CD LYS A 20 -0.550 -4.053 -10.200 1.00 0.00 C ATOM 299 CE LYS A 20 -2.019 -3.872 -10.429 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.302 -3.610 -11.855 1.00 0.00 N ATOM 0 H LYS A 20 1.002 -3.472 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 20 1.120 -6.171 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.758 -3.664 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.616 -5.261 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.735 -5.363 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.557 -3.674 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.034 -3.124 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.174 -4.815 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.554 -4.765 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.386 -3.044 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.326 -3.488 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.808 -2.745 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.971 -4.413 -12.428 1.00 0.00 H new ATOM 314 N LYS A 21 3.971 -4.496 -7.162 1.00 0.00 N ATOM 315 CA LYS A 21 5.417 -4.569 -7.139 1.00 0.00 C ATOM 316 C LYS A 21 5.877 -5.461 -6.008 1.00 0.00 C ATOM 317 O LYS A 21 6.784 -6.234 -6.182 1.00 0.00 O ATOM 318 CB LYS A 21 6.039 -3.155 -7.007 1.00 0.00 C ATOM 319 CG LYS A 21 7.560 -3.131 -7.051 1.00 0.00 C ATOM 320 CD LYS A 21 8.120 -1.711 -6.981 1.00 0.00 C ATOM 321 CE LYS A 21 7.878 -1.046 -5.631 1.00 0.00 C ATOM 322 NZ LYS A 21 8.548 0.265 -5.554 1.00 0.00 N ATOM 0 H LYS A 21 3.607 -3.564 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 21 5.755 -4.999 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.654 -2.526 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.708 -2.712 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.955 -3.716 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.902 -3.609 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.191 -1.738 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.664 -1.107 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.807 -0.920 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.245 -1.692 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.366 0.694 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.572 0.139 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.179 0.888 -6.301 1.00 0.00 H new ATOM 336 N ILE A 22 5.225 -5.359 -4.869 1.00 0.00 N ATOM 337 CA ILE A 22 5.574 -6.171 -3.714 1.00 0.00 C ATOM 338 C ILE A 22 5.236 -7.634 -3.966 1.00 0.00 C ATOM 339 O ILE A 22 6.011 -8.517 -3.639 1.00 0.00 O ATOM 340 CB ILE A 22 4.887 -5.666 -2.428 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.299 -4.220 -2.182 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.280 -6.539 -1.238 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.664 -3.577 -0.994 1.00 0.00 C ATOM 0 H ILE A 22 4.446 -4.719 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 22 6.650 -6.082 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 22 3.805 -5.722 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.382 -4.182 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.056 -3.633 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.788 -6.170 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.973 -7.568 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.361 -6.502 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.019 -2.551 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.581 -3.576 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.927 -4.134 -0.095 1.00 0.00 H new ATOM 355 N CYS A 23 4.107 -7.876 -4.600 1.00 0.00 N ATOM 356 CA CYS A 23 3.678 -9.229 -4.938 1.00 0.00 C ATOM 357 C CYS A 23 4.770 -9.937 -5.786 1.00 0.00 C ATOM 358 O CYS A 23 5.026 -11.131 -5.631 1.00 0.00 O ATOM 359 CB CYS A 23 2.335 -9.167 -5.691 1.00 0.00 C ATOM 360 SG CYS A 23 1.534 -10.765 -5.977 1.00 0.00 S ATOM 0 H CYS A 23 3.459 -7.147 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 23 3.536 -9.810 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.651 -8.532 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.499 -8.684 -6.654 1.00 0.00 H new ATOM 0 HG CYS A 23 0.416 -10.582 -6.615 1.00 0.00 H new ATOM 366 N ARG A 24 5.438 -9.165 -6.628 1.00 0.00 N ATOM 367 CA ARG A 24 6.509 -9.660 -7.482 1.00 0.00 C ATOM 368 C ARG A 24 7.916 -9.349 -6.920 1.00 0.00 C ATOM 369 O ARG A 24 8.924 -9.626 -7.563 1.00 0.00 O ATOM 370 CB ARG A 24 6.359 -9.088 -8.886 1.00 0.00 C ATOM 371 CG ARG A 24 6.437 -7.589 -8.966 1.00 0.00 C ATOM 372 CD ARG A 24 6.171 -7.133 -10.363 1.00 0.00 C ATOM 373 NE ARG A 24 6.219 -5.662 -10.493 1.00 0.00 N ATOM 374 CZ ARG A 24 5.202 -4.907 -10.947 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.033 -5.467 -11.234 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.352 -3.593 -11.090 1.00 0.00 N ATOM 0 H ARG A 24 5.252 -8.168 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 24 6.419 -10.746 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.136 -9.513 -9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.401 -9.411 -9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.712 -7.143 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.423 -7.251 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.905 -7.579 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.191 -7.491 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 24 7.080 -5.188 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.905 -6.471 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.263 -4.893 -11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.242 -3.153 -10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.577 -3.026 -11.435 1.00 0.00 H new ATOM 390 N ALA A 25 7.982 -8.819 -5.710 1.00 0.00 N ATOM 391 CA ALA A 25 9.241 -8.282 -5.160 1.00 0.00 C ATOM 392 C ALA A 25 10.139 -9.301 -4.504 1.00 0.00 C ATOM 393 O ALA A 25 11.177 -8.922 -3.969 1.00 0.00 O ATOM 394 CB ALA A 25 8.964 -7.178 -4.180 1.00 0.00 C ATOM 0 H ALA A 25 7.184 -8.744 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 25 9.781 -7.911 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.906 -6.796 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.427 -6.373 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.358 -7.563 -3.360 1.00 0.00 H new ATOM 400 N GLU A 26 9.777 -10.570 -4.562 1.00 0.00 N ATOM 401 CA GLU A 26 10.576 -11.628 -3.938 1.00 0.00 C ATOM 402 C GLU A 26 12.047 -11.603 -4.385 1.00 0.00 C ATOM 403 O GLU A 26 12.919 -11.861 -3.584 1.00 0.00 O ATOM 404 CB GLU A 26 9.942 -12.994 -4.153 1.00 0.00 C ATOM 405 CG GLU A 26 9.672 -13.359 -5.598 1.00 0.00 C ATOM 406 CD GLU A 26 8.974 -14.677 -5.704 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.732 -14.702 -5.638 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.652 -15.721 -5.820 1.00 0.00 O ATOM 0 H GLU A 26 8.935 -10.901 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 26 10.583 -11.429 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.594 -13.752 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.001 -13.031 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.063 -12.584 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.613 -13.398 -6.147 1.00 0.00 H new ATOM 415 N GLY A 27 12.269 -11.290 -5.680 1.00 0.00 N ATOM 416 CA GLY A 27 13.600 -11.081 -6.275 1.00 0.00 C ATOM 417 C GLY A 27 14.706 -11.942 -5.711 1.00 0.00 C ATOM 418 O GLY A 27 14.779 -13.152 -5.989 1.00 0.00 O ATOM 0 H GLY A 27 11.510 -11.174 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.532 -11.263 -7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.876 -10.034 -6.146 1.00 0.00 H new ATOM 422 N ALA A 28 15.548 -11.325 -4.899 1.00 0.00 N ATOM 423 CA ALA A 28 16.661 -12.001 -4.276 1.00 0.00 C ATOM 424 C ALA A 28 16.211 -12.701 -3.026 1.00 0.00 C ATOM 425 O ALA A 28 16.088 -13.927 -2.978 1.00 0.00 O ATOM 426 CB ALA A 28 17.779 -11.018 -3.919 1.00 0.00 C ATOM 0 H ALA A 28 15.474 -10.337 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 28 17.045 -12.728 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.603 -11.558 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.135 -10.527 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.397 -10.268 -3.226 1.00 0.00 H new ATOM 432 N THR A 29 15.912 -11.922 -2.051 1.00 0.00 N ATOM 433 CA THR A 29 15.584 -12.395 -0.768 1.00 0.00 C ATOM 434 C THR A 29 14.208 -11.912 -0.366 1.00 0.00 C ATOM 435 O THR A 29 13.650 -11.021 -0.992 1.00 0.00 O ATOM 436 CB THR A 29 16.649 -11.899 0.245 1.00 0.00 C ATOM 437 OG1 THR A 29 16.949 -10.488 0.029 1.00 0.00 O ATOM 438 CG2 THR A 29 17.928 -12.721 0.154 1.00 0.00 C ATOM 0 H THR A 29 15.890 -10.906 -2.133 1.00 0.00 H new ATOM 0 HA THR A 29 15.573 -13.485 -0.775 1.00 0.00 H new ATOM 0 HB THR A 29 16.232 -12.024 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.253 -10.088 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.653 -12.347 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.705 -13.766 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.342 -12.639 -0.851 1.00 0.00 H new ATOM 446 N GLU A 30 13.689 -12.460 0.706 1.00 0.00 N ATOM 447 CA GLU A 30 12.400 -12.050 1.257 1.00 0.00 C ATOM 448 C GLU A 30 12.544 -10.599 1.751 1.00 0.00 C ATOM 449 O GLU A 30 11.587 -9.844 1.817 1.00 0.00 O ATOM 450 CB GLU A 30 12.013 -13.085 2.357 1.00 0.00 C ATOM 451 CG GLU A 30 10.675 -12.920 3.066 1.00 0.00 C ATOM 452 CD GLU A 30 10.690 -11.888 4.162 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.341 -12.120 5.204 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.023 -10.866 4.042 1.00 0.00 O ATOM 0 H GLU A 30 14.144 -13.207 1.230 1.00 0.00 H new ATOM 0 HA GLU A 30 11.587 -12.048 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.028 -14.075 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.795 -13.071 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.917 -12.646 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.377 -13.880 3.488 1.00 0.00 H new ATOM 461 N GLU A 31 13.791 -10.220 1.986 1.00 0.00 N ATOM 462 CA GLU A 31 14.185 -8.865 2.347 1.00 0.00 C ATOM 463 C GLU A 31 13.776 -7.885 1.256 1.00 0.00 C ATOM 464 O GLU A 31 13.401 -6.764 1.534 1.00 0.00 O ATOM 465 CB GLU A 31 15.690 -8.796 2.470 1.00 0.00 C ATOM 466 CG GLU A 31 16.289 -9.814 3.393 1.00 0.00 C ATOM 467 CD GLU A 31 15.862 -9.585 4.821 1.00 0.00 C ATOM 468 OE1 GLU A 31 14.809 -10.099 5.241 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.548 -8.833 5.535 1.00 0.00 O ATOM 0 H GLU A 31 14.580 -10.864 1.929 1.00 0.00 H new ATOM 0 HA GLU A 31 13.699 -8.608 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.128 -8.921 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.967 -7.801 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.989 -10.813 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.376 -9.772 3.326 1.00 0.00 H new ATOM 476 N ASP A 32 13.860 -8.328 0.017 1.00 0.00 N ATOM 477 CA ASP A 32 13.533 -7.505 -1.146 1.00 0.00 C ATOM 478 C ASP A 32 12.075 -7.134 -1.131 1.00 0.00 C ATOM 479 O ASP A 32 11.692 -6.018 -1.506 1.00 0.00 O ATOM 480 CB ASP A 32 13.886 -8.238 -2.447 1.00 0.00 C ATOM 481 CG ASP A 32 15.354 -8.351 -2.683 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.000 -9.215 -2.069 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.888 -7.583 -3.514 1.00 0.00 O ATOM 0 H ASP A 32 14.158 -9.274 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 32 14.126 -6.592 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.452 -9.237 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.430 -7.713 -3.286 1.00 0.00 H new ATOM 488 N ASP A 33 11.289 -8.056 -0.657 1.00 0.00 N ATOM 489 CA ASP A 33 9.863 -7.885 -0.515 1.00 0.00 C ATOM 490 C ASP A 33 9.584 -7.022 0.714 1.00 0.00 C ATOM 491 O ASP A 33 8.971 -5.944 0.619 1.00 0.00 O ATOM 492 CB ASP A 33 9.197 -9.275 -0.375 1.00 0.00 C ATOM 493 CG ASP A 33 7.676 -9.258 -0.197 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.194 -8.876 0.887 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.957 -9.697 -1.117 1.00 0.00 O ATOM 0 H ASP A 33 11.624 -8.969 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 33 9.450 -7.388 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.436 -9.865 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.640 -9.788 0.479 1.00 0.00 H new ATOM 500 N ASN A 34 10.136 -7.448 1.845 1.00 0.00 N ATOM 501 CA ASN A 34 9.880 -6.814 3.132 1.00 0.00 C ATOM 502 C ASN A 34 10.359 -5.366 3.215 1.00 0.00 C ATOM 503 O ASN A 34 9.688 -4.530 3.820 1.00 0.00 O ATOM 504 CB ASN A 34 10.354 -7.689 4.343 1.00 0.00 C ATOM 505 CG ASN A 34 11.860 -7.852 4.567 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.662 -6.942 4.376 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.249 -9.048 4.936 1.00 0.00 N ATOM 0 H ASN A 34 10.773 -8.243 1.895 1.00 0.00 H new ATOM 0 HA ASN A 34 8.794 -6.752 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.926 -7.263 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.925 -8.684 4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.241 -9.242 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.560 -9.784 5.087 1.00 0.00 H new ATOM 514 N LYS A 35 11.475 -5.040 2.564 1.00 0.00 N ATOM 515 CA LYS A 35 11.995 -3.681 2.613 1.00 0.00 C ATOM 516 C LYS A 35 11.073 -2.714 1.889 1.00 0.00 C ATOM 517 O LYS A 35 10.998 -1.537 2.248 1.00 0.00 O ATOM 518 CB LYS A 35 13.425 -3.575 2.069 1.00 0.00 C ATOM 519 CG LYS A 35 13.570 -3.824 0.575 1.00 0.00 C ATOM 520 CD LYS A 35 15.010 -3.677 0.132 1.00 0.00 C ATOM 521 CE LYS A 35 15.903 -4.771 0.708 1.00 0.00 C ATOM 522 NZ LYS A 35 17.312 -4.618 0.297 1.00 0.00 N ATOM 0 H LYS A 35 12.027 -5.690 2.005 1.00 0.00 H new ATOM 0 HA LYS A 35 12.033 -3.403 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.810 -2.580 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.053 -4.288 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.213 -4.826 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.944 -3.122 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.059 -3.706 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.386 -2.702 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.840 -4.753 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.536 -5.745 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.880 -5.384 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.378 -4.662 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.673 -3.701 0.628 1.00 0.00 H new ATOM 536 N LEU A 36 10.358 -3.208 0.883 1.00 0.00 N ATOM 537 CA LEU A 36 9.418 -2.366 0.175 1.00 0.00 C ATOM 538 C LEU A 36 8.260 -2.059 1.061 1.00 0.00 C ATOM 539 O LEU A 36 7.954 -0.895 1.303 1.00 0.00 O ATOM 540 CB LEU A 36 8.924 -3.013 -1.116 1.00 0.00 C ATOM 541 CG LEU A 36 9.964 -3.205 -2.197 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.340 -3.860 -3.403 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.580 -1.876 -2.576 1.00 0.00 C ATOM 0 H LEU A 36 10.414 -4.170 0.549 1.00 0.00 H new ATOM 0 HA LEU A 36 9.936 -1.447 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.497 -3.986 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.116 -2.403 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 36 10.753 -3.853 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.096 -3.994 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.934 -4.831 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.538 -3.229 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.327 -2.030 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.803 -1.207 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.055 -1.432 -1.701 1.00 0.00 H new ATOM 555 N VAL A 37 7.671 -3.112 1.593 1.00 0.00 N ATOM 556 CA VAL A 37 6.505 -3.032 2.465 1.00 0.00 C ATOM 557 C VAL A 37 6.717 -2.002 3.573 1.00 0.00 C ATOM 558 O VAL A 37 5.879 -1.128 3.795 1.00 0.00 O ATOM 559 CB VAL A 37 6.232 -4.393 3.134 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.996 -4.317 3.976 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.099 -5.502 2.113 1.00 0.00 C ATOM 0 H VAL A 37 7.992 -4.067 1.431 1.00 0.00 H new ATOM 0 HA VAL A 37 5.660 -2.739 1.842 1.00 0.00 H new ATOM 0 HB VAL A 37 7.087 -4.627 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.814 -5.285 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.128 -3.560 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.145 -4.051 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.907 -6.446 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.272 -5.279 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.023 -5.581 1.539 1.00 0.00 H new ATOM 571 N ARG A 38 7.872 -2.083 4.197 1.00 0.00 N ATOM 572 CA ARG A 38 8.222 -1.243 5.325 1.00 0.00 C ATOM 573 C ARG A 38 8.206 0.258 5.003 1.00 0.00 C ATOM 574 O ARG A 38 7.864 1.066 5.871 1.00 0.00 O ATOM 575 CB ARG A 38 9.566 -1.664 5.901 1.00 0.00 C ATOM 576 CG ARG A 38 9.548 -3.065 6.474 1.00 0.00 C ATOM 577 CD ARG A 38 10.907 -3.490 6.976 1.00 0.00 C ATOM 578 NE ARG A 38 10.852 -4.801 7.642 1.00 0.00 N ATOM 579 CZ ARG A 38 11.899 -5.474 8.135 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.132 -5.066 7.884 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.699 -6.582 8.842 1.00 0.00 N ATOM 0 H ARG A 38 8.605 -2.742 3.933 1.00 0.00 H new ATOM 0 HA ARG A 38 7.445 -1.392 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.325 -1.606 5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.857 -0.961 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.829 -3.113 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.209 -3.765 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.607 -3.534 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.288 -2.743 7.672 1.00 0.00 H new ATOM 0 HE ARG A 38 9.934 -5.236 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.288 -4.235 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.927 -5.582 8.262 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.750 -6.917 9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.495 -7.097 9.219 1.00 0.00 H new ATOM 595 N GLU A 39 8.549 0.658 3.774 1.00 0.00 N ATOM 596 CA GLU A 39 8.513 2.085 3.477 1.00 0.00 C ATOM 597 C GLU A 39 7.070 2.500 3.261 1.00 0.00 C ATOM 598 O GLU A 39 6.635 3.551 3.723 1.00 0.00 O ATOM 599 CB GLU A 39 9.375 2.516 2.262 1.00 0.00 C ATOM 600 CG GLU A 39 8.826 2.147 0.891 1.00 0.00 C ATOM 601 CD GLU A 39 9.503 2.905 -0.213 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.149 4.085 -0.447 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.400 2.348 -0.871 1.00 0.00 O ATOM 0 H GLU A 39 8.839 0.049 3.009 1.00 0.00 H new ATOM 0 HA GLU A 39 8.954 2.593 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.506 3.597 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.364 2.071 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.954 1.077 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.755 2.348 0.864 1.00 0.00 H new ATOM 610 N PHE A 40 6.312 1.623 2.627 1.00 0.00 N ATOM 611 CA PHE A 40 4.938 1.891 2.320 1.00 0.00 C ATOM 612 C PHE A 40 4.096 1.955 3.589 1.00 0.00 C ATOM 613 O PHE A 40 3.162 2.754 3.678 1.00 0.00 O ATOM 614 CB PHE A 40 4.392 0.895 1.304 1.00 0.00 C ATOM 615 CG PHE A 40 5.047 0.979 -0.071 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.851 2.081 -0.894 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.821 -0.059 -0.548 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.422 2.135 -2.161 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.397 -0.012 -1.804 1.00 0.00 C ATOM 620 CZ PHE A 40 6.198 1.079 -2.613 1.00 0.00 C ATOM 0 H PHE A 40 6.641 0.709 2.315 1.00 0.00 H new ATOM 0 HA PHE A 40 4.879 2.874 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.523 -0.114 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.320 1.057 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.248 2.906 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.980 -0.928 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.261 2.997 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.005 -0.835 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.644 1.114 -3.596 1.00 0.00 H new ATOM 630 N GLU A 41 4.444 1.135 4.577 1.00 0.00 N ATOM 631 CA GLU A 41 3.823 1.185 5.892 1.00 0.00 C ATOM 632 C GLU A 41 4.052 2.526 6.557 1.00 0.00 C ATOM 633 O GLU A 41 3.176 3.034 7.242 1.00 0.00 O ATOM 634 CB GLU A 41 4.364 0.105 6.794 1.00 0.00 C ATOM 635 CG GLU A 41 3.873 -1.284 6.498 1.00 0.00 C ATOM 636 CD GLU A 41 4.504 -2.282 7.401 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.709 -2.537 7.265 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.805 -2.813 8.301 1.00 0.00 O ATOM 0 H GLU A 41 5.164 0.419 4.486 1.00 0.00 H new ATOM 0 HA GLU A 41 2.755 1.031 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.452 0.110 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.107 0.352 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.790 -1.321 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.094 -1.537 5.461 1.00 0.00 H new ATOM 645 N ARG A 42 5.234 3.089 6.361 1.00 0.00 N ATOM 646 CA ARG A 42 5.572 4.384 6.929 1.00 0.00 C ATOM 647 C ARG A 42 4.726 5.455 6.260 1.00 0.00 C ATOM 648 O ARG A 42 4.137 6.303 6.914 1.00 0.00 O ATOM 649 CB ARG A 42 7.060 4.687 6.699 1.00 0.00 C ATOM 650 CG ARG A 42 7.553 5.967 7.356 1.00 0.00 C ATOM 651 CD ARG A 42 7.454 5.884 8.868 1.00 0.00 C ATOM 652 NE ARG A 42 7.849 7.131 9.535 1.00 0.00 N ATOM 653 CZ ARG A 42 7.882 7.290 10.865 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.627 6.252 11.664 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.185 8.473 11.397 1.00 0.00 N ATOM 0 H ARG A 42 5.980 2.666 5.809 1.00 0.00 H new ATOM 0 HA ARG A 42 5.375 4.372 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.650 3.851 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.243 4.751 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.588 6.152 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.966 6.812 6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.430 5.637 9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.086 5.071 9.225 1.00 0.00 H new ATOM 0 HE ARG A 42 8.114 7.924 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.408 5.341 11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.651 6.370 12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.394 9.266 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.208 8.586 12.411 1.00 0.00 H new ATOM 669 N LEU A 43 4.665 5.365 4.952 1.00 0.00 N ATOM 670 CA LEU A 43 3.917 6.292 4.110 1.00 0.00 C ATOM 671 C LEU A 43 2.423 6.309 4.470 1.00 0.00 C ATOM 672 O LEU A 43 1.819 7.371 4.646 1.00 0.00 O ATOM 673 CB LEU A 43 4.071 5.874 2.651 1.00 0.00 C ATOM 674 CG LEU A 43 5.485 5.844 2.085 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.447 5.354 0.653 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.130 7.221 2.160 1.00 0.00 C ATOM 0 H LEU A 43 5.141 4.633 4.425 1.00 0.00 H new ATOM 0 HA LEU A 43 4.316 7.293 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.639 4.880 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.476 6.552 2.040 1.00 0.00 H new ATOM 0 HG LEU A 43 6.088 5.160 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.459 5.333 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.023 4.350 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.831 6.026 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.139 7.173 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.538 7.932 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.176 7.545 3.200 1.00 0.00 H new ATOM 688 N THR A 44 1.854 5.140 4.598 1.00 0.00 N ATOM 689 CA THR A 44 0.440 4.990 4.859 1.00 0.00 C ATOM 690 C THR A 44 0.098 5.203 6.306 1.00 0.00 C ATOM 691 O THR A 44 -1.029 5.612 6.631 1.00 0.00 O ATOM 692 CB THR A 44 -0.019 3.594 4.437 1.00 0.00 C ATOM 693 OG1 THR A 44 0.844 2.604 5.016 1.00 0.00 O ATOM 694 CG2 THR A 44 0.033 3.485 2.958 1.00 0.00 C ATOM 0 H THR A 44 2.359 4.257 4.524 1.00 0.00 H new ATOM 0 HA THR A 44 -0.076 5.755 4.278 1.00 0.00 H new ATOM 0 HB THR A 44 -1.040 3.431 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.573 2.401 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.294 2.490 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.624 4.234 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.055 3.651 2.617 1.00 0.00 H new ATOM 702 N GLU A 45 1.083 4.932 7.173 1.00 0.00 N ATOM 703 CA GLU A 45 0.916 4.895 8.609 1.00 0.00 C ATOM 704 C GLU A 45 -0.074 3.769 8.919 1.00 0.00 C ATOM 705 O GLU A 45 -0.707 3.710 9.987 1.00 0.00 O ATOM 706 CB GLU A 45 0.439 6.248 9.149 1.00 0.00 C ATOM 707 CG GLU A 45 0.570 6.374 10.639 1.00 0.00 C ATOM 708 CD GLU A 45 0.214 7.728 11.141 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.882 8.704 10.769 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.734 7.858 11.952 1.00 0.00 O ATOM 0 H GLU A 45 2.037 4.729 6.875 1.00 0.00 H new ATOM 0 HA GLU A 45 1.867 4.700 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.012 7.044 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.604 6.395 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.071 5.635 11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.595 6.143 10.929 1.00 0.00 H new ATOM 717 N HIS A 46 -0.156 2.836 7.980 1.00 0.00 N ATOM 718 CA HIS A 46 -1.089 1.794 8.071 1.00 0.00 C ATOM 719 C HIS A 46 -0.513 0.657 8.916 1.00 0.00 C ATOM 720 O HIS A 46 0.544 0.114 8.608 1.00 0.00 O ATOM 721 CB HIS A 46 -1.554 1.307 6.676 1.00 0.00 C ATOM 722 CG HIS A 46 -2.761 0.438 6.758 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.764 -0.768 7.387 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.048 0.709 6.466 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.015 -1.168 7.501 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.841 -0.321 6.946 1.00 0.00 N ATOM 0 H HIS A 46 0.434 2.807 7.148 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.982 2.172 8.568 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.771 2.169 6.046 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.744 0.757 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.403 1.585 5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.319 -2.081 7.991 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.856 -0.401 6.880 1.00 0.00 H new ATOM 734 N PRO A 47 -1.246 0.282 9.962 1.00 0.00 N ATOM 735 CA PRO A 47 -0.845 -0.722 10.948 1.00 0.00 C ATOM 736 C PRO A 47 -0.524 -2.054 10.341 1.00 0.00 C ATOM 737 O PRO A 47 0.559 -2.595 10.520 1.00 0.00 O ATOM 738 CB PRO A 47 -2.087 -0.862 11.830 1.00 0.00 C ATOM 739 CG PRO A 47 -3.177 -0.129 11.161 1.00 0.00 C ATOM 740 CD PRO A 47 -2.551 0.836 10.265 1.00 0.00 C ATOM 0 HA PRO A 47 0.061 -0.416 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.351 -1.911 11.960 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.902 -0.455 12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.818 -0.813 10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.808 0.376 11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.141 0.972 9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.463 1.814 10.738 1.00 0.00 H new ATOM 748 N ASP A 48 -1.444 -2.537 9.566 1.00 0.00 N ATOM 749 CA ASP A 48 -1.351 -3.827 8.989 1.00 0.00 C ATOM 750 C ASP A 48 -0.808 -3.702 7.611 1.00 0.00 C ATOM 751 O ASP A 48 -0.999 -4.583 6.819 1.00 0.00 O ATOM 752 CB ASP A 48 -2.729 -4.499 8.893 1.00 0.00 C ATOM 753 CG ASP A 48 -3.451 -4.633 10.199 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.241 -5.640 10.912 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.277 -3.743 10.512 1.00 0.00 O ATOM 0 H ASP A 48 -2.294 -2.031 9.316 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.702 -4.433 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.351 -3.925 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.605 -5.491 8.458 1.00 0.00 H new ATOM 760 N GLY A 49 -0.106 -2.594 7.328 1.00 0.00 N ATOM 761 CA GLY A 49 0.455 -2.354 5.961 1.00 0.00 C ATOM 762 C GLY A 49 1.266 -3.491 5.440 1.00 0.00 C ATOM 763 O GLY A 49 1.374 -3.682 4.242 1.00 0.00 O ATOM 0 H GLY A 49 0.092 -1.855 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.365 -2.157 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.074 -1.457 5.984 1.00 0.00 H new ATOM 767 N SER A 50 1.796 -4.250 6.325 1.00 0.00 N ATOM 768 CA SER A 50 2.494 -5.434 5.954 1.00 0.00 C ATOM 769 C SER A 50 1.519 -6.584 5.752 1.00 0.00 C ATOM 770 O SER A 50 1.384 -7.104 4.641 1.00 0.00 O ATOM 771 CB SER A 50 3.587 -5.731 6.974 1.00 0.00 C ATOM 772 OG SER A 50 3.151 -5.352 8.281 1.00 0.00 O ATOM 0 H SER A 50 1.761 -4.073 7.329 1.00 0.00 H new ATOM 0 HA SER A 50 2.992 -5.291 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.833 -6.793 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.496 -5.189 6.713 1.00 0.00 H new ATOM 0 HG SER A 50 3.467 -4.446 8.481 1.00 0.00 H new ATOM 778 N ASP A 51 0.781 -6.905 6.803 1.00 0.00 N ATOM 779 CA ASP A 51 -0.179 -8.013 6.810 1.00 0.00 C ATOM 780 C ASP A 51 -1.203 -7.929 5.686 1.00 0.00 C ATOM 781 O ASP A 51 -1.626 -8.947 5.192 1.00 0.00 O ATOM 782 CB ASP A 51 -0.877 -8.152 8.167 1.00 0.00 C ATOM 783 CG ASP A 51 0.069 -8.545 9.275 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.451 -9.737 9.355 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.457 -7.666 10.097 1.00 0.00 O ATOM 0 H ASP A 51 0.828 -6.401 7.689 1.00 0.00 H new ATOM 0 HA ASP A 51 0.411 -8.912 6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.355 -7.207 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.667 -8.898 8.089 1.00 0.00 H new ATOM 790 N LEU A 52 -1.553 -6.708 5.255 1.00 0.00 N ATOM 791 CA LEU A 52 -2.512 -6.485 4.146 1.00 0.00 C ATOM 792 C LEU A 52 -2.064 -7.192 2.888 1.00 0.00 C ATOM 793 O LEU A 52 -2.869 -7.763 2.164 1.00 0.00 O ATOM 794 CB LEU A 52 -2.618 -4.992 3.771 1.00 0.00 C ATOM 795 CG LEU A 52 -3.122 -4.006 4.808 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.156 -2.618 4.193 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.497 -4.402 5.326 1.00 0.00 C ATOM 0 H LEU A 52 -1.185 -5.847 5.659 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.468 -6.867 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.628 -4.661 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.271 -4.917 2.901 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.444 -4.010 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.517 -1.902 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.152 -2.336 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.823 -2.618 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.830 -3.675 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.205 -4.425 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.443 -5.389 5.785 1.00 0.00 H new ATOM 809 N ILE A 53 -0.771 -7.159 2.658 1.00 0.00 N ATOM 810 CA ILE A 53 -0.198 -7.645 1.418 1.00 0.00 C ATOM 811 C ILE A 53 -0.150 -9.146 1.407 1.00 0.00 C ATOM 812 O ILE A 53 -0.330 -9.803 0.367 1.00 0.00 O ATOM 813 CB ILE A 53 1.222 -7.070 1.259 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.140 -5.548 1.272 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.894 -7.569 -0.022 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.471 -4.876 1.355 1.00 0.00 C ATOM 0 H ILE A 53 -0.087 -6.796 3.321 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.822 -7.320 0.586 1.00 0.00 H new ATOM 0 HB ILE A 53 1.837 -7.413 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.629 -5.213 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.530 -5.233 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.894 -7.142 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.965 -8.656 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.302 -7.265 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.333 -3.795 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.976 -5.181 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.077 -5.161 0.495 1.00 0.00 H new ATOM 828 N TYR A 54 0.045 -9.677 2.558 1.00 0.00 N ATOM 829 CA TYR A 54 0.231 -11.070 2.718 1.00 0.00 C ATOM 830 C TYR A 54 -1.090 -11.783 2.958 1.00 0.00 C ATOM 831 O TYR A 54 -1.356 -12.841 2.384 1.00 0.00 O ATOM 832 CB TYR A 54 1.188 -11.304 3.868 1.00 0.00 C ATOM 833 CG TYR A 54 2.528 -10.628 3.694 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.377 -10.966 2.648 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.940 -9.652 4.576 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.597 -10.338 2.496 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.151 -9.023 4.432 1.00 0.00 C ATOM 838 CZ TYR A 54 4.976 -9.367 3.395 1.00 0.00 C ATOM 839 OH TYR A 54 6.187 -8.731 3.258 1.00 0.00 O ATOM 0 H TYR A 54 0.080 -9.147 3.429 1.00 0.00 H new ATOM 0 HA TYR A 54 0.651 -11.482 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.728 -10.947 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.345 -12.376 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.079 -11.730 1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.296 -9.377 5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.249 -10.607 1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.452 -8.260 5.134 1.00 0.00 H new ATOM 0 HH TYR A 54 6.642 -9.062 2.455 1.00 0.00 H new ATOM 849 N TYR A 55 -1.920 -11.198 3.777 1.00 0.00 N ATOM 850 CA TYR A 55 -3.165 -11.802 4.151 1.00 0.00 C ATOM 851 C TYR A 55 -4.288 -10.775 4.085 1.00 0.00 C ATOM 852 O TYR A 55 -4.365 -9.880 4.946 1.00 0.00 O ATOM 853 CB TYR A 55 -3.096 -12.338 5.595 1.00 0.00 C ATOM 854 CG TYR A 55 -1.970 -13.312 5.885 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.081 -14.653 5.558 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.796 -12.880 6.491 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.057 -15.540 5.827 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.231 -13.760 6.762 1.00 0.00 C ATOM 859 CZ TYR A 55 0.097 -15.086 6.428 1.00 0.00 C ATOM 860 OH TYR A 55 1.126 -15.969 6.696 1.00 0.00 O ATOM 0 H TYR A 55 -1.750 -10.287 4.204 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.358 -12.621 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.001 -11.490 6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.042 -12.827 5.827 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.983 -15.011 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.686 -11.838 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.160 -16.583 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.136 -13.408 7.235 1.00 0.00 H new ATOM 0 HH TYR A 55 1.867 -15.488 7.120 1.00 0.00 H new ATOM 870 N PRO A 56 -5.144 -10.824 3.053 1.00 0.00 N ATOM 871 CA PRO A 56 -6.334 -9.998 3.027 1.00 0.00 C ATOM 872 C PRO A 56 -7.253 -10.435 4.166 1.00 0.00 C ATOM 873 O PRO A 56 -7.196 -11.604 4.605 1.00 0.00 O ATOM 874 CB PRO A 56 -6.973 -10.288 1.664 1.00 0.00 C ATOM 875 CG PRO A 56 -6.396 -11.591 1.249 1.00 0.00 C ATOM 876 CD PRO A 56 -5.017 -11.646 1.839 1.00 0.00 C ATOM 0 HA PRO A 56 -6.133 -8.934 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.059 -10.341 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.741 -9.504 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.007 -12.419 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.358 -11.671 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.718 -12.668 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.269 -11.244 1.156 1.00 0.00 H new ATOM 884 N ARG A 57 -8.065 -9.536 4.663 1.00 0.00 N ATOM 885 CA ARG A 57 -8.889 -9.847 5.814 1.00 0.00 C ATOM 886 C ARG A 57 -10.082 -10.765 5.464 1.00 0.00 C ATOM 887 O ARG A 57 -9.908 -11.885 4.982 1.00 0.00 O ATOM 888 CB ARG A 57 -9.377 -8.558 6.477 1.00 0.00 C ATOM 889 CG ARG A 57 -8.276 -7.604 6.896 1.00 0.00 C ATOM 890 CD ARG A 57 -8.836 -6.408 7.639 1.00 0.00 C ATOM 891 NE ARG A 57 -7.864 -5.319 7.728 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.091 -5.033 8.787 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.073 -5.836 9.851 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.339 -3.941 8.774 1.00 0.00 N ATOM 0 H ARG A 57 -8.176 -8.591 4.296 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.265 -10.401 6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.044 -8.041 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.967 -8.819 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.561 -8.127 7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.731 -7.265 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.734 -6.053 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.135 -6.711 8.642 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.764 -4.721 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.650 -6.677 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.482 -5.610 10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.350 -3.324 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.749 -3.718 9.576 1.00 0.00 H new ATOM 908 N ASP A 58 -11.268 -10.268 5.630 1.00 0.00 N ATOM 909 CA ASP A 58 -12.457 -11.069 5.405 1.00 0.00 C ATOM 910 C ASP A 58 -13.310 -10.470 4.325 1.00 0.00 C ATOM 911 O ASP A 58 -13.596 -11.094 3.314 1.00 0.00 O ATOM 912 CB ASP A 58 -13.253 -11.195 6.700 1.00 0.00 C ATOM 913 CG ASP A 58 -14.556 -11.922 6.512 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.551 -13.166 6.454 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.611 -11.259 6.424 1.00 0.00 O ATOM 0 H ASP A 58 -11.451 -9.308 5.922 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.147 -12.062 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.652 -11.721 7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.451 -10.200 7.098 1.00 0.00 H new ATOM 920 N ASP A 59 -13.649 -9.229 4.526 1.00 0.00 N ATOM 921 CA ASP A 59 -14.501 -8.460 3.629 1.00 0.00 C ATOM 922 C ASP A 59 -13.668 -7.859 2.485 1.00 0.00 C ATOM 923 O ASP A 59 -14.128 -7.017 1.732 1.00 0.00 O ATOM 924 CB ASP A 59 -15.230 -7.366 4.466 1.00 0.00 C ATOM 925 CG ASP A 59 -16.154 -6.429 3.691 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.202 -6.877 3.179 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.863 -5.210 3.633 1.00 0.00 O ATOM 0 H ASP A 59 -13.337 -8.698 5.339 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.250 -9.102 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.815 -7.861 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.476 -6.763 4.972 1.00 0.00 H new ATOM 932 N ARG A 60 -12.441 -8.324 2.342 1.00 0.00 N ATOM 933 CA ARG A 60 -11.588 -7.812 1.303 1.00 0.00 C ATOM 934 C ARG A 60 -11.444 -8.645 0.100 1.00 0.00 C ATOM 935 O ARG A 60 -11.411 -9.873 0.144 1.00 0.00 O ATOM 936 CB ARG A 60 -10.237 -7.358 1.777 1.00 0.00 C ATOM 937 CG ARG A 60 -10.287 -5.993 2.326 1.00 0.00 C ATOM 938 CD ARG A 60 -10.605 -4.961 1.235 1.00 0.00 C ATOM 939 NE ARG A 60 -11.034 -3.709 1.864 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.165 -3.053 1.599 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.943 -3.431 0.593 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.526 -2.013 2.359 1.00 0.00 N ATOM 0 H ARG A 60 -12.023 -9.047 2.928 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.159 -6.937 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.868 -8.044 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.529 -7.392 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.044 -5.942 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.331 -5.751 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.726 -4.787 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.389 -5.339 0.578 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.414 -3.304 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.678 -4.229 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.806 -2.924 0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.937 -1.723 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.390 -1.510 2.158 1.00 0.00 H new ATOM 956 N GLU A 61 -11.364 -7.927 -0.959 1.00 0.00 N ATOM 957 CA GLU A 61 -11.072 -8.401 -2.253 1.00 0.00 C ATOM 958 C GLU A 61 -9.588 -8.682 -2.317 1.00 0.00 C ATOM 959 O GLU A 61 -8.762 -7.779 -2.073 1.00 0.00 O ATOM 960 CB GLU A 61 -11.463 -7.296 -3.240 1.00 0.00 C ATOM 961 CG GLU A 61 -11.096 -7.541 -4.675 1.00 0.00 C ATOM 962 CD GLU A 61 -11.612 -6.465 -5.603 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.836 -6.277 -5.711 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.787 -5.775 -6.258 1.00 0.00 O ATOM 0 H GLU A 61 -11.513 -6.918 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.616 -9.314 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.541 -7.147 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.995 -6.366 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.011 -7.601 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.495 -8.506 -4.988 1.00 0.00 H new ATOM 971 N ASP A 62 -9.244 -9.907 -2.591 1.00 0.00 N ATOM 972 CA ASP A 62 -7.863 -10.288 -2.716 1.00 0.00 C ATOM 973 C ASP A 62 -7.376 -9.876 -4.073 1.00 0.00 C ATOM 974 O ASP A 62 -7.417 -10.644 -5.026 1.00 0.00 O ATOM 975 CB ASP A 62 -7.664 -11.799 -2.503 1.00 0.00 C ATOM 976 CG ASP A 62 -6.201 -12.244 -2.639 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.429 -12.122 -1.673 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.794 -12.733 -3.724 1.00 0.00 O ATOM 0 H ASP A 62 -9.908 -10.668 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.286 -9.784 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.028 -12.070 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.271 -12.344 -3.226 1.00 0.00 H new ATOM 983 N SER A 63 -7.058 -8.632 -4.204 1.00 0.00 N ATOM 984 CA SER A 63 -6.553 -8.147 -5.425 1.00 0.00 C ATOM 985 C SER A 63 -5.563 -7.051 -5.091 1.00 0.00 C ATOM 986 O SER A 63 -5.600 -6.519 -3.962 1.00 0.00 O ATOM 987 CB SER A 63 -7.738 -7.599 -6.251 1.00 0.00 C ATOM 988 OG SER A 63 -8.288 -6.445 -5.644 1.00 0.00 O ATOM 0 H SER A 63 -7.144 -7.933 -3.466 1.00 0.00 H new ATOM 0 HA SER A 63 -6.055 -8.921 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.403 -7.359 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.506 -8.366 -6.345 1.00 0.00 H new ATOM 0 HG SER A 63 -9.149 -6.234 -6.062 1.00 0.00 H new ATOM 994 N PRO A 64 -4.646 -6.686 -6.020 1.00 0.00 N ATOM 995 CA PRO A 64 -3.742 -5.551 -5.805 1.00 0.00 C ATOM 996 C PRO A 64 -4.570 -4.261 -5.574 1.00 0.00 C ATOM 997 O PRO A 64 -4.136 -3.333 -4.918 1.00 0.00 O ATOM 998 CB PRO A 64 -2.919 -5.495 -7.125 1.00 0.00 C ATOM 999 CG PRO A 64 -3.003 -6.881 -7.662 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.377 -7.371 -7.307 1.00 0.00 C ATOM 0 HA PRO A 64 -3.099 -5.649 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.336 -4.770 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.886 -5.201 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.850 -6.893 -8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.235 -7.518 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.111 -7.105 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.405 -8.456 -7.202 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.800 -4.273 -6.067 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.723 -3.166 -5.896 1.00 0.00 C ATOM 1010 C GLU A 65 -7.324 -3.168 -4.483 1.00 0.00 C ATOM 1011 O GLU A 65 -7.393 -2.133 -3.831 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.856 -3.244 -6.917 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.406 -3.301 -8.365 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.566 -3.339 -9.316 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.112 -4.434 -9.566 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.961 -2.281 -9.820 1.00 0.00 O ATOM 0 H GLU A 65 -6.185 -5.054 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.161 -2.245 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.458 -4.127 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.504 -2.377 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.785 -2.433 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.785 -4.184 -8.516 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.753 -4.340 -4.022 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.396 -4.469 -2.720 1.00 0.00 C ATOM 1025 C GLY A 66 -7.477 -4.136 -1.565 1.00 0.00 C ATOM 1026 O GLY A 66 -7.919 -3.633 -0.532 1.00 0.00 O ATOM 0 H GLY A 66 -7.666 -5.217 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.265 -3.813 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.762 -5.489 -2.602 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.203 -4.398 -1.740 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.213 -4.051 -0.729 1.00 0.00 C ATOM 1032 C ILE A 67 -5.059 -2.519 -0.649 1.00 0.00 C ATOM 1033 O ILE A 67 -4.927 -1.940 0.437 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.861 -4.752 -1.013 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.063 -6.276 -0.931 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.780 -4.288 -0.030 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.844 -7.089 -1.284 1.00 0.00 C ATOM 0 H ILE A 67 -5.821 -4.850 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.558 -4.407 0.242 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.521 -4.484 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.376 -6.534 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.878 -6.558 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.842 -4.797 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.640 -3.211 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.088 -4.526 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.077 -8.150 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.541 -6.865 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.031 -6.841 -0.602 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.130 -1.874 -1.797 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.101 -0.428 -1.868 1.00 0.00 C ATOM 1051 C VAL A 68 -6.385 0.141 -1.276 1.00 0.00 C ATOM 1052 O VAL A 68 -6.373 1.172 -0.607 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.889 0.058 -3.323 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.982 1.576 -3.440 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.538 -0.375 -3.766 1.00 0.00 C ATOM 0 H VAL A 68 -5.209 -2.336 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.256 -0.065 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.673 -0.372 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.827 1.871 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.968 1.906 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.218 2.037 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.367 -0.043 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.783 0.062 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.471 -1.462 -3.721 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.483 -0.565 -1.502 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.771 -0.216 -0.951 1.00 0.00 C ATOM 1067 C LYS A 69 -8.726 -0.199 0.572 1.00 0.00 C ATOM 1068 O LYS A 69 -9.320 0.663 1.191 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.812 -1.185 -1.411 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.191 -0.779 -0.983 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.048 -0.308 -2.138 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.615 1.065 -2.690 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.520 1.525 -3.776 1.00 0.00 N ATOM 0 H LYS A 69 -7.498 -1.405 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.027 0.783 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.779 -1.263 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.586 -2.174 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.678 -1.623 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.117 0.018 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.005 -1.045 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.087 -0.251 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.611 1.798 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.595 1.001 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.201 2.451 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.504 0.837 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.489 1.609 -3.408 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.008 -1.146 1.156 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.799 -1.196 2.606 1.00 0.00 C ATOM 1089 C GLU A 70 -7.205 0.096 3.108 1.00 0.00 C ATOM 1090 O GLU A 70 -7.759 0.749 3.986 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.869 -2.344 2.955 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.546 -3.671 3.023 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.453 -3.753 4.217 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.632 -3.381 4.112 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.996 -4.180 5.283 1.00 0.00 O ATOM 0 H GLU A 70 -7.552 -1.902 0.645 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.767 -1.347 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.072 -2.391 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.398 -2.138 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.122 -3.836 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.798 -4.462 3.075 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.107 0.469 2.508 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.400 1.678 2.844 1.00 0.00 C ATOM 1104 C ILE A 71 -6.240 2.915 2.547 1.00 0.00 C ATOM 1105 O ILE A 71 -6.190 3.910 3.269 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.046 1.682 2.118 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.180 0.673 2.824 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.387 3.053 2.142 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.995 0.215 2.065 1.00 0.00 C ATOM 0 H ILE A 71 -5.670 -0.067 1.759 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.209 1.708 3.917 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.186 1.431 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.843 1.104 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.790 -0.195 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.433 3.007 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.037 3.778 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.219 3.358 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.439 -0.509 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.317 -0.252 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.355 1.068 1.840 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.015 2.830 1.510 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.923 3.894 1.135 1.00 0.00 C ATOM 1123 C LYS A 72 -9.017 4.080 2.197 1.00 0.00 C ATOM 1124 O LYS A 72 -9.086 5.118 2.833 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.569 3.579 -0.225 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.607 4.597 -0.671 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.980 5.850 -1.247 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.457 5.619 -2.669 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.546 5.389 -3.648 1.00 0.00 N ATOM 0 H LYS A 72 -7.043 2.020 0.890 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.352 4.819 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.786 3.519 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.038 2.597 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.258 4.144 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.235 4.866 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.716 6.654 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.160 6.175 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.870 6.483 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.786 4.760 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.199 5.590 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.858 4.398 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.346 6.017 -3.431 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.785 3.029 2.449 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.940 3.097 3.345 1.00 0.00 C ATOM 1145 C GLU A 73 -10.535 3.403 4.765 1.00 0.00 C ATOM 1146 O GLU A 73 -11.212 4.162 5.461 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.746 1.800 3.308 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.294 1.455 1.940 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.139 2.551 1.358 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.326 2.674 1.739 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.644 3.308 0.498 1.00 0.00 O ATOM 0 H GLU A 73 -9.629 2.107 2.042 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.565 3.914 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.114 0.981 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.575 1.879 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.465 1.244 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.888 0.544 2.011 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.424 2.836 5.180 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.919 3.022 6.515 1.00 0.00 C ATOM 1160 C TRP A 74 -8.514 4.476 6.723 1.00 0.00 C ATOM 1161 O TRP A 74 -8.956 5.129 7.679 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.730 2.099 6.727 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.198 2.039 8.118 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.650 1.242 9.122 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.089 2.771 8.653 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.887 1.424 10.239 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.927 2.352 9.981 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.219 3.735 8.135 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.934 2.850 10.798 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.226 4.239 8.946 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.088 3.790 10.266 1.00 0.00 C ATOM 0 H TRP A 74 -8.846 2.231 4.596 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.695 2.779 7.241 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.017 1.092 6.424 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.925 2.415 6.063 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.488 0.565 9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.016 0.940 11.128 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.324 4.079 7.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.826 2.513 11.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.548 4.987 8.561 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.296 4.194 10.880 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.737 5.014 5.803 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.249 6.367 5.954 1.00 0.00 C ATOM 1184 C ARG A 75 -8.356 7.369 5.766 1.00 0.00 C ATOM 1185 O ARG A 75 -8.404 8.386 6.464 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.105 6.648 5.016 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.863 5.823 5.293 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.772 6.172 4.324 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.301 6.213 2.956 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.872 7.028 1.985 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.745 7.726 2.127 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.590 7.157 0.885 1.00 0.00 N ATOM 0 H ARG A 75 -7.434 4.540 4.953 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.874 6.466 6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.433 6.460 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.848 7.705 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.522 6.000 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.100 4.762 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.341 7.139 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.969 5.437 4.389 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.057 5.568 2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.198 7.643 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.430 8.343 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.462 6.638 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.273 7.775 0.138 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.271 7.056 4.865 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.416 7.902 4.586 1.00 0.00 C ATOM 1208 C ALA A 76 -11.367 7.961 5.793 1.00 0.00 C ATOM 1209 O ALA A 76 -12.071 8.949 5.993 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.157 7.401 3.329 1.00 0.00 C ATOM 0 H ALA A 76 -9.240 6.204 4.305 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.056 8.913 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.014 8.045 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.481 7.424 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.501 6.380 3.492 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.344 6.915 6.625 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.237 6.824 7.763 1.00 0.00 C ATOM 1218 C ALA A 77 -11.646 7.578 8.908 1.00 0.00 C ATOM 1219 O ALA A 77 -12.311 8.355 9.588 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.467 5.370 8.156 1.00 0.00 C ATOM 0 H ALA A 77 -10.711 6.122 6.523 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.201 7.257 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.140 5.327 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.911 4.832 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.515 4.909 8.419 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.370 7.361 9.086 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.629 7.927 10.168 1.00 0.00 C ATOM 1228 C ASN A 78 -9.290 9.391 9.949 1.00 0.00 C ATOM 1229 O ASN A 78 -9.025 10.115 10.901 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.366 7.119 10.431 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.614 5.788 11.128 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.603 5.706 12.351 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.829 4.749 10.376 1.00 0.00 N ATOM 0 H ASN A 78 -9.811 6.773 8.468 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.273 7.882 11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.863 6.932 9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.686 7.715 11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.994 3.837 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.833 4.846 9.361 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.297 9.824 8.706 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.983 11.204 8.408 1.00 0.00 C ATOM 1242 C GLY A 79 -7.495 11.413 8.323 1.00 0.00 C ATOM 1243 O GLY A 79 -6.957 12.376 8.856 1.00 0.00 O ATOM 0 H GLY A 79 -9.514 9.247 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.448 11.491 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.401 11.850 9.180 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.834 10.503 7.653 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.410 10.520 7.518 1.00 0.00 C ATOM 1249 C LYS A 80 -5.071 11.209 6.178 1.00 0.00 C ATOM 1250 O LYS A 80 -5.938 11.873 5.578 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.925 9.068 7.489 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.584 8.144 8.523 1.00 0.00 C ATOM 1253 CD LYS A 80 -5.173 8.415 9.965 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.825 7.813 10.282 1.00 0.00 C ATOM 1255 NZ LYS A 80 -3.411 8.059 11.681 1.00 0.00 N ATOM 0 H LYS A 80 -7.283 9.719 7.180 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.933 11.054 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.103 8.661 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.847 9.057 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.666 8.243 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.339 7.111 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.142 9.491 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.923 8.005 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.858 6.739 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.077 8.228 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.376 7.991 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.717 9.010 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.849 7.349 12.303 1.00 0.00 H new ATOM 1269 N SER A 81 -3.847 11.059 5.716 1.00 0.00 N ATOM 1270 CA SER A 81 -3.439 11.600 4.431 1.00 0.00 C ATOM 1271 C SER A 81 -4.064 10.738 3.304 1.00 0.00 C ATOM 1272 O SER A 81 -4.665 9.686 3.583 1.00 0.00 O ATOM 1273 CB SER A 81 -1.892 11.624 4.337 1.00 0.00 C ATOM 1274 OG SER A 81 -1.435 12.318 3.175 1.00 0.00 O ATOM 0 H SER A 81 -3.109 10.562 6.215 1.00 0.00 H new ATOM 0 HA SER A 81 -3.792 12.626 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.482 12.100 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.514 10.602 4.320 1.00 0.00 H new ATOM 0 HG SER A 81 -0.455 12.312 3.154 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.932 11.165 2.063 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.530 10.445 0.961 1.00 0.00 C ATOM 1282 C GLY A 82 -3.514 10.148 -0.118 1.00 0.00 C ATOM 1283 O GLY A 82 -2.313 10.175 0.144 1.00 0.00 O ATOM 0 H GLY A 82 -3.417 12.004 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.961 9.512 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.348 11.031 0.542 1.00 0.00 H new ATOM 1287 N PHE A 83 -3.982 9.781 -1.289 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.135 9.605 -2.433 1.00 0.00 C ATOM 1289 C PHE A 83 -3.368 10.795 -3.303 1.00 0.00 C ATOM 1290 O PHE A 83 -4.291 11.595 -3.026 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.552 8.374 -3.269 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.666 7.085 -2.533 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.559 6.516 -1.977 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.890 6.444 -2.401 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.649 5.326 -1.291 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.993 5.240 -1.712 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.863 4.684 -1.157 1.00 0.00 C ATOM 0 H PHE A 83 -4.969 9.596 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.104 9.480 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.513 8.587 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.828 8.246 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.601 7.004 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.773 6.885 -2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.762 4.891 -0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.949 4.747 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.926 3.750 -0.619 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.592 10.940 -4.328 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.906 11.897 -5.306 1.00 0.00 C ATOM 1309 C LYS A 84 -4.034 11.300 -6.096 1.00 0.00 C ATOM 1310 O LYS A 84 -4.025 10.104 -6.409 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.716 12.209 -6.188 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.998 13.253 -7.247 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.745 13.622 -8.002 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.190 12.455 -8.795 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.032 12.815 -9.532 1.00 0.00 N ATOM 0 H LYS A 84 -1.741 10.404 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.188 12.849 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.892 12.553 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.386 11.291 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.746 12.875 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.419 14.143 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.961 14.449 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.010 13.974 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.026 11.628 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.946 12.103 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.376 11.987 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.822 13.586 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.763 13.126 -8.861 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.002 12.067 -6.343 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.177 11.597 -6.968 1.00 0.00 C ATOM 1331 C GLN A 85 -6.600 12.539 -8.053 1.00 0.00 C ATOM 1332 O GLN A 85 -6.635 13.758 -7.858 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.233 11.394 -5.884 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.407 12.597 -4.965 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.025 12.233 -3.639 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.237 12.265 -3.466 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.194 11.864 -2.699 1.00 0.00 N ATOM 0 H GLN A 85 -5.013 13.062 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.014 10.640 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.188 11.169 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.962 10.525 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.436 13.061 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.032 13.340 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.191 11.850 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.549 11.590 -1.783 1.00 0.00 H new ATOM 1346 N GLY A 86 -6.812 12.008 -9.211 1.00 0.00 N ATOM 1347 CA GLY A 86 -7.247 12.792 -10.304 1.00 0.00 C ATOM 1348 C GLY A 86 -7.574 11.919 -11.455 1.00 0.00 C ATOM 1349 O GLY A 86 -6.917 10.864 -11.606 1.00 0.00 O ATOM 1350 OXT GLY A 86 -8.503 12.235 -12.207 1.00 0.00 O ATOM 0 H GLY A 86 -6.687 11.018 -9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.123 13.375 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.469 13.502 -10.585 1.00 0.00 H new TER 1354 GLY A 86