USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 843 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 60 MET CE :methyl 135:sc= -1.64 (180deg=-2.13!) USER MOD Set 1.2: A 64 TYR OH : rot 0:sc= -0.664 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.152 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.26 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0.681 (180deg=0.65) USER MOD Single : A 26 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.3) USER MOD Single : A 44 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.113) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -108:sc= 0.0111 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 67 LYS NZ :NH3+ -114:sc= -0.222 (180deg=-3.21!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.062 K(o=-0.062,f=-0.59) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.637) USER MOD Single : A 103 GLN : amide:sc=-0.00169 X(o=-0.0017,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 27:sc= 0.858 USER MOD Single : A 109 SER OG : rot 39:sc= 0.176 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.441 -26.471 21.223 1.00 0.00 N ATOM 2 CA GLY A 1 -0.824 -25.789 21.434 1.00 0.00 C ATOM 3 C GLY A 1 -1.571 -25.599 20.112 1.00 0.00 C ATOM 4 O GLY A 1 -1.039 -25.903 19.045 1.00 0.00 O ATOM 0 H1 GLY A 1 0.438 -27.376 21.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.574 -26.650 20.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.219 -25.877 21.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.441 -26.364 22.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.645 -24.819 21.898 1.00 0.00 H new ATOM 8 N SER A 2 -2.792 -25.098 20.226 1.00 0.00 N ATOM 9 CA SER A 2 -3.618 -24.864 19.054 1.00 0.00 C ATOM 10 C SER A 2 -4.713 -23.846 19.379 1.00 0.00 C ATOM 11 O SER A 2 -5.318 -23.901 20.449 1.00 0.00 O ATOM 12 CB SER A 2 -4.238 -26.168 18.548 1.00 0.00 C ATOM 13 OG SER A 2 -5.331 -25.932 17.665 1.00 0.00 O ATOM 0 H SER A 2 -3.229 -24.847 21.113 1.00 0.00 H new ATOM 0 HA SER A 2 -2.983 -24.464 18.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.477 -26.756 18.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.579 -26.761 19.397 1.00 0.00 H new ATOM 0 HG SER A 2 -5.698 -26.789 17.363 1.00 0.00 H new ATOM 19 N SER A 3 -4.935 -22.942 18.437 1.00 0.00 N ATOM 20 CA SER A 3 -5.947 -21.914 18.610 1.00 0.00 C ATOM 21 C SER A 3 -6.439 -21.429 17.245 1.00 0.00 C ATOM 22 O SER A 3 -5.665 -21.356 16.292 1.00 0.00 O ATOM 23 CB SER A 3 -5.404 -20.739 19.426 1.00 0.00 C ATOM 24 OG SER A 3 -4.828 -21.165 20.658 1.00 0.00 O ATOM 0 H SER A 3 -4.431 -22.900 17.551 1.00 0.00 H new ATOM 0 HA SER A 3 -6.784 -22.347 19.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.654 -20.207 18.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.211 -20.034 19.628 1.00 0.00 H new ATOM 0 HG SER A 3 -4.492 -20.386 21.149 1.00 0.00 H new ATOM 30 N GLY A 4 -7.724 -21.109 17.194 1.00 0.00 N ATOM 31 CA GLY A 4 -8.328 -20.634 15.961 1.00 0.00 C ATOM 32 C GLY A 4 -9.551 -21.475 15.590 1.00 0.00 C ATOM 33 O GLY A 4 -9.425 -22.663 15.296 1.00 0.00 O ATOM 0 H GLY A 4 -8.363 -21.169 17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.621 -19.590 16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.596 -20.674 15.154 1.00 0.00 H new ATOM 37 N SER A 5 -10.706 -20.826 15.615 1.00 0.00 N ATOM 38 CA SER A 5 -11.950 -21.500 15.285 1.00 0.00 C ATOM 39 C SER A 5 -13.104 -20.495 15.278 1.00 0.00 C ATOM 40 O SER A 5 -12.969 -19.387 15.794 1.00 0.00 O ATOM 41 CB SER A 5 -12.240 -22.635 16.269 1.00 0.00 C ATOM 42 OG SER A 5 -12.972 -23.696 15.660 1.00 0.00 O ATOM 0 H SER A 5 -10.806 -19.841 15.859 1.00 0.00 H new ATOM 0 HA SER A 5 -11.850 -21.935 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.300 -23.022 16.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.804 -22.245 17.116 1.00 0.00 H new ATOM 0 HG SER A 5 -13.136 -24.402 16.320 1.00 0.00 H new ATOM 48 N SER A 6 -14.212 -20.919 14.689 1.00 0.00 N ATOM 49 CA SER A 6 -15.388 -20.070 14.609 1.00 0.00 C ATOM 50 C SER A 6 -15.098 -18.855 13.724 1.00 0.00 C ATOM 51 O SER A 6 -13.941 -18.490 13.526 1.00 0.00 O ATOM 52 CB SER A 6 -15.837 -19.618 16.000 1.00 0.00 C ATOM 53 OG SER A 6 -17.206 -19.929 16.247 1.00 0.00 O ATOM 0 H SER A 6 -14.320 -21.839 14.263 1.00 0.00 H new ATOM 0 HA SER A 6 -16.198 -20.649 14.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.214 -20.097 16.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.686 -18.543 16.098 1.00 0.00 H new ATOM 0 HG SER A 6 -17.453 -19.626 17.146 1.00 0.00 H new ATOM 59 N GLY A 7 -16.169 -18.264 13.216 1.00 0.00 N ATOM 60 CA GLY A 7 -16.044 -17.099 12.357 1.00 0.00 C ATOM 61 C GLY A 7 -17.390 -16.388 12.197 1.00 0.00 C ATOM 62 O GLY A 7 -18.362 -16.734 12.867 1.00 0.00 O ATOM 0 H GLY A 7 -17.128 -18.570 13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.312 -16.409 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.670 -17.402 11.379 1.00 0.00 H new ATOM 66 N ALA A 8 -17.403 -15.408 11.306 1.00 0.00 N ATOM 67 CA ALA A 8 -18.613 -14.645 11.050 1.00 0.00 C ATOM 68 C ALA A 8 -18.478 -13.918 9.711 1.00 0.00 C ATOM 69 O ALA A 8 -17.976 -12.796 9.657 1.00 0.00 O ATOM 70 CB ALA A 8 -18.867 -13.684 12.213 1.00 0.00 C ATOM 0 H ALA A 8 -16.595 -15.124 10.752 1.00 0.00 H new ATOM 0 HA ALA A 8 -19.476 -15.307 10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.775 -13.112 12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.985 -14.252 13.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.023 -13.002 12.313 1.00 0.00 H new ATOM 76 N PRO A 9 -18.948 -14.603 8.635 1.00 0.00 N ATOM 77 CA PRO A 9 -18.885 -14.034 7.299 1.00 0.00 C ATOM 78 C PRO A 9 -19.948 -12.949 7.115 1.00 0.00 C ATOM 79 O PRO A 9 -21.059 -13.070 7.628 1.00 0.00 O ATOM 80 CB PRO A 9 -19.073 -15.215 6.360 1.00 0.00 C ATOM 81 CG PRO A 9 -19.695 -16.320 7.197 1.00 0.00 C ATOM 82 CD PRO A 9 -19.550 -15.934 8.660 1.00 0.00 C ATOM 0 HA PRO A 9 -17.939 -13.530 7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.719 -14.949 5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.120 -15.534 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.746 -16.449 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.200 -17.271 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.516 -15.922 9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.920 -16.644 9.196 1.00 0.00 H new ATOM 90 N ALA A 10 -19.569 -11.913 6.381 1.00 0.00 N ATOM 91 CA ALA A 10 -20.475 -10.807 6.123 1.00 0.00 C ATOM 92 C ALA A 10 -19.811 -9.824 5.157 1.00 0.00 C ATOM 93 O ALA A 10 -19.332 -8.769 5.570 1.00 0.00 O ATOM 94 CB ALA A 10 -20.867 -10.148 7.447 1.00 0.00 C ATOM 0 H ALA A 10 -18.646 -11.816 5.957 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.391 -11.164 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.547 -9.318 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.361 -10.880 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.973 -9.775 7.947 1.00 0.00 H new ATOM 100 N GLU A 11 -19.803 -10.205 3.888 1.00 0.00 N ATOM 101 CA GLU A 11 -19.206 -9.371 2.859 1.00 0.00 C ATOM 102 C GLU A 11 -19.409 -10.001 1.480 1.00 0.00 C ATOM 103 O GLU A 11 -19.805 -11.161 1.376 1.00 0.00 O ATOM 104 CB GLU A 11 -17.721 -9.133 3.140 1.00 0.00 C ATOM 105 CG GLU A 11 -17.467 -7.683 3.558 1.00 0.00 C ATOM 106 CD GLU A 11 -16.541 -7.618 4.775 1.00 0.00 C ATOM 107 OE1 GLU A 11 -15.736 -8.562 4.927 1.00 0.00 O ATOM 108 OE2 GLU A 11 -16.659 -6.625 5.525 1.00 0.00 O ATOM 0 H GLU A 11 -20.201 -11.081 3.549 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.704 -8.402 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.384 -9.807 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.137 -9.366 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.022 -7.134 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.414 -7.196 3.791 1.00 0.00 H new ATOM 115 N PRO A 12 -19.121 -9.188 0.428 1.00 0.00 N ATOM 116 CA PRO A 12 -19.268 -9.654 -0.940 1.00 0.00 C ATOM 117 C PRO A 12 -18.132 -10.605 -1.320 1.00 0.00 C ATOM 118 O PRO A 12 -17.251 -10.883 -0.507 1.00 0.00 O ATOM 119 CB PRO A 12 -19.293 -8.391 -1.785 1.00 0.00 C ATOM 120 CG PRO A 12 -18.695 -7.296 -0.916 1.00 0.00 C ATOM 121 CD PRO A 12 -18.650 -7.809 0.514 1.00 0.00 C ATOM 0 HA PRO A 12 -20.177 -10.236 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.716 -8.522 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.311 -8.141 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.694 -7.039 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.296 -6.389 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.640 -7.760 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.286 -7.213 1.169 1.00 0.00 H new ATOM 129 N ALA A 13 -18.188 -11.079 -2.556 1.00 0.00 N ATOM 130 CA ALA A 13 -17.174 -11.993 -3.054 1.00 0.00 C ATOM 131 C ALA A 13 -16.769 -11.577 -4.470 1.00 0.00 C ATOM 132 O ALA A 13 -17.331 -10.636 -5.029 1.00 0.00 O ATOM 133 CB ALA A 13 -17.708 -13.426 -2.998 1.00 0.00 C ATOM 0 H ALA A 13 -18.920 -10.847 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.281 -11.952 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.948 -14.112 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.954 -13.683 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.603 -13.505 -3.615 1.00 0.00 H new ATOM 139 N ALA A 14 -15.797 -12.298 -5.009 1.00 0.00 N ATOM 140 CA ALA A 14 -15.311 -12.016 -6.349 1.00 0.00 C ATOM 141 C ALA A 14 -14.652 -10.635 -6.367 1.00 0.00 C ATOM 142 O ALA A 14 -15.320 -9.628 -6.597 1.00 0.00 O ATOM 143 CB ALA A 14 -16.466 -12.124 -7.345 1.00 0.00 C ATOM 0 H ALA A 14 -15.333 -13.077 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.557 -12.745 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.101 -11.912 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.880 -13.132 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.242 -11.405 -7.082 1.00 0.00 H new ATOM 149 N PRO A 15 -13.316 -10.632 -6.114 1.00 0.00 N ATOM 150 CA PRO A 15 -12.560 -9.391 -6.099 1.00 0.00 C ATOM 151 C PRO A 15 -12.328 -8.873 -7.520 1.00 0.00 C ATOM 152 O PRO A 15 -12.792 -9.475 -8.487 1.00 0.00 O ATOM 153 CB PRO A 15 -11.269 -9.726 -5.370 1.00 0.00 C ATOM 154 CG PRO A 15 -11.146 -11.240 -5.414 1.00 0.00 C ATOM 155 CD PRO A 15 -12.492 -11.805 -5.837 1.00 0.00 C ATOM 0 HA PRO A 15 -13.088 -8.582 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.414 -9.251 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.297 -9.366 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.368 -11.540 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.859 -11.628 -4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.396 -12.439 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.929 -12.419 -5.049 1.00 0.00 H new ATOM 163 N LYS A 16 -11.609 -7.763 -7.601 1.00 0.00 N ATOM 164 CA LYS A 16 -11.310 -7.158 -8.887 1.00 0.00 C ATOM 165 C LYS A 16 -9.804 -7.239 -9.146 1.00 0.00 C ATOM 166 O LYS A 16 -9.029 -7.528 -8.236 1.00 0.00 O ATOM 167 CB LYS A 16 -11.869 -5.735 -8.953 1.00 0.00 C ATOM 168 CG LYS A 16 -13.379 -5.751 -9.201 1.00 0.00 C ATOM 169 CD LYS A 16 -13.694 -6.153 -10.643 1.00 0.00 C ATOM 170 CE LYS A 16 -14.299 -7.557 -10.701 1.00 0.00 C ATOM 171 NZ LYS A 16 -14.263 -8.081 -12.084 1.00 0.00 N ATOM 0 H LYS A 16 -11.225 -7.267 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.802 -7.707 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.655 -5.213 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.372 -5.181 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.857 -6.448 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.795 -4.765 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.388 -5.436 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.783 -6.121 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.748 -8.224 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.328 -7.531 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.677 -9.035 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.809 -7.453 -12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.277 -8.125 -12.413 1.00 0.00 H new ATOM 185 N SER A 17 -9.435 -6.977 -10.391 1.00 0.00 N ATOM 186 CA SER A 17 -8.035 -7.017 -10.781 1.00 0.00 C ATOM 187 C SER A 17 -7.812 -6.145 -12.018 1.00 0.00 C ATOM 188 O SER A 17 -8.758 -5.829 -12.738 1.00 0.00 O ATOM 189 CB SER A 17 -7.580 -8.452 -11.054 1.00 0.00 C ATOM 190 OG SER A 17 -7.932 -9.335 -9.992 1.00 0.00 O ATOM 0 H SER A 17 -10.081 -6.736 -11.143 1.00 0.00 H new ATOM 0 HA SER A 17 -7.439 -6.626 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.029 -8.804 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.499 -8.469 -11.196 1.00 0.00 H new ATOM 0 HG SER A 17 -7.626 -10.241 -10.205 1.00 0.00 H new ATOM 196 N GLY A 18 -6.555 -5.781 -12.227 1.00 0.00 N ATOM 197 CA GLY A 18 -6.195 -4.952 -13.364 1.00 0.00 C ATOM 198 C GLY A 18 -4.734 -4.508 -13.279 1.00 0.00 C ATOM 199 O GLY A 18 -4.450 -3.321 -13.121 1.00 0.00 O ATOM 0 H GLY A 18 -5.773 -6.045 -11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.357 -5.506 -14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.843 -4.076 -13.400 1.00 0.00 H new ATOM 203 N GLU A 19 -3.845 -5.484 -13.388 1.00 0.00 N ATOM 204 CA GLU A 19 -2.419 -5.209 -13.325 1.00 0.00 C ATOM 205 C GLU A 19 -1.967 -4.463 -14.582 1.00 0.00 C ATOM 206 O GLU A 19 -2.336 -4.834 -15.695 1.00 0.00 O ATOM 207 CB GLU A 19 -1.620 -6.500 -13.135 1.00 0.00 C ATOM 208 CG GLU A 19 -1.970 -7.525 -14.215 1.00 0.00 C ATOM 209 CD GLU A 19 -2.854 -8.638 -13.648 1.00 0.00 C ATOM 210 OE1 GLU A 19 -4.024 -8.330 -13.336 1.00 0.00 O ATOM 211 OE2 GLU A 19 -2.339 -9.772 -13.539 1.00 0.00 O ATOM 0 H GLU A 19 -4.084 -6.467 -13.520 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.228 -4.573 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.553 -6.280 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.827 -6.919 -12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.485 -7.030 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.055 -7.955 -14.624 1.00 0.00 H new ATOM 218 N ALA A 20 -1.173 -3.425 -14.362 1.00 0.00 N ATOM 219 CA ALA A 20 -0.666 -2.624 -15.463 1.00 0.00 C ATOM 220 C ALA A 20 0.513 -1.781 -14.973 1.00 0.00 C ATOM 221 O ALA A 20 0.938 -1.908 -13.826 1.00 0.00 O ATOM 222 CB ALA A 20 -1.798 -1.769 -16.035 1.00 0.00 C ATOM 0 H ALA A 20 -0.868 -3.120 -13.437 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.302 -3.263 -16.268 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.418 -1.168 -16.861 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.597 -2.417 -16.395 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.187 -1.112 -15.257 1.00 0.00 H new ATOM 228 N GLU A 21 1.007 -0.937 -15.868 1.00 0.00 N ATOM 229 CA GLU A 21 2.129 -0.073 -15.541 1.00 0.00 C ATOM 230 C GLU A 21 1.914 0.582 -14.175 1.00 0.00 C ATOM 231 O GLU A 21 0.797 0.602 -13.661 1.00 0.00 O ATOM 232 CB GLU A 21 2.342 0.983 -16.628 1.00 0.00 C ATOM 233 CG GLU A 21 3.566 0.651 -17.483 1.00 0.00 C ATOM 234 CD GLU A 21 4.625 1.751 -17.375 1.00 0.00 C ATOM 235 OE1 GLU A 21 4.369 2.840 -17.933 1.00 0.00 O ATOM 236 OE2 GLU A 21 5.664 1.478 -16.738 1.00 0.00 O ATOM 0 H GLU A 21 0.651 -0.833 -16.818 1.00 0.00 H new ATOM 0 HA GLU A 21 3.031 -0.683 -15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.457 1.042 -17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.470 1.963 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.991 -0.300 -17.163 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.265 0.531 -18.524 1.00 0.00 H new ATOM 243 N THR A 22 3.002 1.102 -13.626 1.00 0.00 N ATOM 244 CA THR A 22 2.947 1.755 -12.330 1.00 0.00 C ATOM 245 C THR A 22 3.716 3.078 -12.366 1.00 0.00 C ATOM 246 O THR A 22 4.923 3.104 -12.131 1.00 0.00 O ATOM 247 CB THR A 22 3.476 0.774 -11.282 1.00 0.00 C ATOM 248 OG1 THR A 22 2.470 -0.234 -11.212 1.00 0.00 O ATOM 249 CG2 THR A 22 3.500 1.375 -9.876 1.00 0.00 C ATOM 0 H THR A 22 3.927 1.084 -14.056 1.00 0.00 H new ATOM 0 HA THR A 22 1.923 2.017 -12.063 1.00 0.00 H new ATOM 0 HB THR A 22 4.482 0.456 -11.557 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.733 -0.913 -10.556 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.884 0.637 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.144 2.254 -9.867 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.489 1.662 -9.586 1.00 0.00 H new ATOM 257 N PRO A 23 2.966 4.170 -12.671 1.00 0.00 N ATOM 258 CA PRO A 23 3.564 5.493 -12.741 1.00 0.00 C ATOM 259 C PRO A 23 3.854 6.038 -11.341 1.00 0.00 C ATOM 260 O PRO A 23 3.477 5.427 -10.342 1.00 0.00 O ATOM 261 CB PRO A 23 2.562 6.337 -13.512 1.00 0.00 C ATOM 262 CG PRO A 23 1.243 5.587 -13.441 1.00 0.00 C ATOM 263 CD PRO A 23 1.534 4.176 -12.955 1.00 0.00 C ATOM 0 HA PRO A 23 4.532 5.492 -13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.470 7.331 -13.074 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.879 6.472 -14.546 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.554 6.090 -12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.765 5.562 -14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.953 3.936 -12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.277 3.435 -13.712 1.00 0.00 H new ATOM 271 N PRO A 24 4.538 7.213 -11.313 1.00 0.00 N ATOM 272 CA PRO A 24 4.883 7.848 -10.052 1.00 0.00 C ATOM 273 C PRO A 24 3.657 8.507 -9.417 1.00 0.00 C ATOM 274 O PRO A 24 2.983 9.316 -10.053 1.00 0.00 O ATOM 275 CB PRO A 24 5.979 8.842 -10.399 1.00 0.00 C ATOM 276 CG PRO A 24 5.884 9.061 -11.900 1.00 0.00 C ATOM 277 CD PRO A 24 5.001 7.965 -12.475 1.00 0.00 C ATOM 0 HA PRO A 24 5.232 7.136 -9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.842 9.779 -9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.959 8.454 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.464 10.043 -12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.875 9.031 -12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.164 8.384 -13.035 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.558 7.328 -13.163 1.00 0.00 H new ATOM 285 N LYS A 25 3.406 8.137 -8.170 1.00 0.00 N ATOM 286 CA LYS A 25 2.273 8.682 -7.441 1.00 0.00 C ATOM 287 C LYS A 25 2.698 8.995 -6.005 1.00 0.00 C ATOM 288 O LYS A 25 3.714 9.652 -5.784 1.00 0.00 O ATOM 289 CB LYS A 25 1.071 7.740 -7.536 1.00 0.00 C ATOM 290 CG LYS A 25 1.432 6.340 -7.034 1.00 0.00 C ATOM 291 CD LYS A 25 0.305 5.757 -6.179 1.00 0.00 C ATOM 292 CE LYS A 25 0.363 4.228 -6.164 1.00 0.00 C ATOM 293 NZ LYS A 25 -0.861 3.656 -6.768 1.00 0.00 N ATOM 0 H LYS A 25 3.968 7.466 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 25 1.948 9.621 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.244 8.139 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.730 7.683 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.626 5.684 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.351 6.385 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.382 6.137 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.659 6.084 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.240 3.886 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.470 3.872 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.860 2.624 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.699 4.060 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.886 3.882 -7.783 1.00 0.00 H new ATOM 307 N HIS A 26 1.898 8.510 -5.066 1.00 0.00 N ATOM 308 CA HIS A 26 2.179 8.729 -3.658 1.00 0.00 C ATOM 309 C HIS A 26 2.806 7.470 -3.057 1.00 0.00 C ATOM 310 O HIS A 26 2.375 6.356 -3.353 1.00 0.00 O ATOM 311 CB HIS A 26 0.918 9.176 -2.916 1.00 0.00 C ATOM 312 CG HIS A 26 1.182 9.735 -1.538 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.570 8.945 -0.470 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.110 11.013 -1.066 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.721 9.722 0.592 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.435 11.003 0.221 1.00 0.00 N ATOM 0 H HIS A 26 1.056 7.966 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 26 2.901 9.539 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.407 9.932 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.240 8.327 -2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.835 11.885 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.018 9.398 1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.466 11.819 0.832 1.00 0.00 H new ATOM 324 N PRO A 27 3.839 7.693 -2.202 1.00 0.00 N ATOM 325 CA PRO A 27 4.529 6.589 -1.557 1.00 0.00 C ATOM 326 C PRO A 27 3.681 5.995 -0.431 1.00 0.00 C ATOM 327 O PRO A 27 3.690 4.785 -0.214 1.00 0.00 O ATOM 328 CB PRO A 27 5.841 7.179 -1.065 1.00 0.00 C ATOM 329 CG PRO A 27 5.637 8.685 -1.039 1.00 0.00 C ATOM 330 CD PRO A 27 4.376 8.998 -1.828 1.00 0.00 C ATOM 0 HA PRO A 27 4.712 5.754 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.091 6.802 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.664 6.908 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.543 9.040 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.496 9.194 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.663 9.562 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.599 9.601 -2.708 1.00 0.00 H new ATOM 338 N GLY A 28 2.967 6.875 0.257 1.00 0.00 N ATOM 339 CA GLY A 28 2.115 6.453 1.355 1.00 0.00 C ATOM 340 C GLY A 28 1.180 5.323 0.920 1.00 0.00 C ATOM 341 O GLY A 28 0.866 4.434 1.710 1.00 0.00 O ATOM 0 H GLY A 28 2.962 7.879 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.731 6.119 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.527 7.300 1.710 1.00 0.00 H new ATOM 345 N VAL A 29 0.760 5.395 -0.334 1.00 0.00 N ATOM 346 CA VAL A 29 -0.132 4.388 -0.884 1.00 0.00 C ATOM 347 C VAL A 29 0.677 3.148 -1.265 1.00 0.00 C ATOM 348 O VAL A 29 0.375 2.043 -0.818 1.00 0.00 O ATOM 349 CB VAL A 29 -0.920 4.973 -2.058 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.973 3.982 -2.559 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.562 6.308 -1.677 1.00 0.00 C ATOM 0 H VAL A 29 1.021 6.135 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.865 4.080 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.219 5.159 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.519 4.422 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.483 3.066 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.668 3.751 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.116 6.702 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.243 6.158 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.785 7.017 -1.390 1.00 0.00 H new ATOM 361 N LEU A 30 1.691 3.372 -2.089 1.00 0.00 N ATOM 362 CA LEU A 30 2.546 2.286 -2.536 1.00 0.00 C ATOM 363 C LEU A 30 2.925 1.414 -1.338 1.00 0.00 C ATOM 364 O LEU A 30 3.021 0.194 -1.459 1.00 0.00 O ATOM 365 CB LEU A 30 3.751 2.834 -3.303 1.00 0.00 C ATOM 366 CG LEU A 30 3.433 3.734 -4.499 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.528 4.782 -4.704 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.192 2.902 -5.761 1.00 0.00 C ATOM 0 H LEU A 30 1.939 4.290 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 30 2.013 1.647 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.375 3.395 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.346 1.991 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 30 2.509 4.272 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.277 5.408 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.609 5.403 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.480 4.283 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.968 3.565 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.085 2.320 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.351 2.228 -5.597 1.00 0.00 H new ATOM 380 N LYS A 31 3.129 2.074 -0.207 1.00 0.00 N ATOM 381 CA LYS A 31 3.495 1.375 1.013 1.00 0.00 C ATOM 382 C LYS A 31 2.650 0.105 1.140 1.00 0.00 C ATOM 383 O LYS A 31 3.124 -0.912 1.642 1.00 0.00 O ATOM 384 CB LYS A 31 3.387 2.309 2.219 1.00 0.00 C ATOM 385 CG LYS A 31 4.616 2.182 3.122 1.00 0.00 C ATOM 386 CD LYS A 31 4.876 3.486 3.880 1.00 0.00 C ATOM 387 CE LYS A 31 6.149 3.385 4.723 1.00 0.00 C ATOM 388 NZ LYS A 31 7.214 4.244 4.158 1.00 0.00 N ATOM 0 H LYS A 31 3.048 3.086 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 31 4.538 1.062 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.287 3.339 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.488 2.073 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.468 1.368 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.489 1.926 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.968 4.310 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.026 3.712 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.937 3.685 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.488 2.350 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.071 4.164 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.427 3.939 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.893 5.233 4.148 1.00 0.00 H new ATOM 402 N VAL A 32 1.413 0.207 0.677 1.00 0.00 N ATOM 403 CA VAL A 32 0.497 -0.920 0.733 1.00 0.00 C ATOM 404 C VAL A 32 0.738 -1.827 -0.475 1.00 0.00 C ATOM 405 O VAL A 32 0.825 -3.046 -0.333 1.00 0.00 O ATOM 406 CB VAL A 32 -0.945 -0.418 0.826 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.012 0.928 1.550 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.585 -0.327 -0.560 1.00 0.00 C ATOM 0 H VAL A 32 1.023 1.053 0.261 1.00 0.00 H new ATOM 0 HA VAL A 32 0.678 -1.516 1.628 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.514 -1.141 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.048 1.262 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.615 0.819 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.421 1.664 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.610 0.032 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.014 0.364 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.588 -1.313 -1.025 1.00 0.00 H new ATOM 418 N GLU A 33 0.838 -1.198 -1.637 1.00 0.00 N ATOM 419 CA GLU A 33 1.066 -1.934 -2.869 1.00 0.00 C ATOM 420 C GLU A 33 2.310 -2.815 -2.738 1.00 0.00 C ATOM 421 O GLU A 33 2.350 -3.922 -3.272 1.00 0.00 O ATOM 422 CB GLU A 33 1.192 -0.982 -4.060 1.00 0.00 C ATOM 423 CG GLU A 33 -0.101 -0.189 -4.267 1.00 0.00 C ATOM 424 CD GLU A 33 -0.617 -0.347 -5.699 1.00 0.00 C ATOM 425 OE1 GLU A 33 -0.860 -1.509 -6.090 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.756 0.698 -6.370 1.00 0.00 O ATOM 0 H GLU A 33 0.765 -0.187 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 33 0.206 -2.578 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.022 -0.295 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.423 -1.550 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.859 -0.532 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.077 0.865 -4.055 1.00 0.00 H new ATOM 433 N ALA A 34 3.296 -2.290 -2.024 1.00 0.00 N ATOM 434 CA ALA A 34 4.537 -3.016 -1.816 1.00 0.00 C ATOM 435 C ALA A 34 4.246 -4.308 -1.051 1.00 0.00 C ATOM 436 O ALA A 34 4.913 -5.321 -1.259 1.00 0.00 O ATOM 437 CB ALA A 34 5.537 -2.118 -1.085 1.00 0.00 C ATOM 0 H ALA A 34 3.260 -1.371 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 34 4.984 -3.293 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.468 -2.662 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.733 -1.229 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.123 -1.822 -0.121 1.00 0.00 H new ATOM 443 N ILE A 35 3.249 -4.231 -0.181 1.00 0.00 N ATOM 444 CA ILE A 35 2.862 -5.383 0.616 1.00 0.00 C ATOM 445 C ILE A 35 1.886 -6.247 -0.185 1.00 0.00 C ATOM 446 O ILE A 35 2.032 -7.468 -0.237 1.00 0.00 O ATOM 447 CB ILE A 35 2.315 -4.935 1.973 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.386 -4.198 2.780 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.728 -6.118 2.745 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.755 -3.150 3.700 1.00 0.00 C ATOM 0 H ILE A 35 2.698 -3.390 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 35 3.731 -6.003 0.837 1.00 0.00 H new ATOM 0 HB ILE A 35 1.502 -4.230 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.955 -4.913 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.090 -3.715 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.346 -5.772 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.915 -6.561 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.504 -6.865 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.538 -2.641 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.207 -2.423 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.070 -3.639 4.393 1.00 0.00 H new ATOM 462 N LEU A 36 0.914 -5.581 -0.789 1.00 0.00 N ATOM 463 CA LEU A 36 -0.085 -6.273 -1.585 1.00 0.00 C ATOM 464 C LEU A 36 0.614 -7.216 -2.567 1.00 0.00 C ATOM 465 O LEU A 36 0.124 -8.311 -2.837 1.00 0.00 O ATOM 466 CB LEU A 36 -1.023 -5.270 -2.259 1.00 0.00 C ATOM 467 CG LEU A 36 -2.212 -4.795 -1.421 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.048 -3.768 -2.187 1.00 0.00 C ATOM 469 CD2 LEU A 36 -3.055 -5.980 -0.945 1.00 0.00 C ATOM 0 H LEU A 36 0.797 -4.569 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.719 -6.889 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.439 -4.398 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.406 -5.720 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.826 -4.296 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.886 -3.447 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.428 -2.906 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.426 -4.218 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.893 -5.615 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.433 -6.528 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.440 -6.642 -0.335 1.00 0.00 H new ATOM 481 N GLU A 37 1.749 -6.755 -3.073 1.00 0.00 N ATOM 482 CA GLU A 37 2.521 -7.544 -4.019 1.00 0.00 C ATOM 483 C GLU A 37 2.958 -8.863 -3.378 1.00 0.00 C ATOM 484 O GLU A 37 2.941 -9.908 -4.027 1.00 0.00 O ATOM 485 CB GLU A 37 3.728 -6.757 -4.532 1.00 0.00 C ATOM 486 CG GLU A 37 3.744 -6.711 -6.061 1.00 0.00 C ATOM 487 CD GLU A 37 5.124 -7.081 -6.607 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.340 -8.292 -6.829 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.932 -6.145 -6.790 1.00 0.00 O ATOM 0 H GLU A 37 2.152 -5.846 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 37 1.887 -7.772 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.700 -5.742 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.647 -7.217 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.996 -7.398 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.470 -5.712 -6.401 1.00 0.00 H new ATOM 496 N LYS A 38 3.339 -8.771 -2.112 1.00 0.00 N ATOM 497 CA LYS A 38 3.779 -9.944 -1.377 1.00 0.00 C ATOM 498 C LYS A 38 2.562 -10.792 -1.001 1.00 0.00 C ATOM 499 O LYS A 38 2.639 -12.020 -0.980 1.00 0.00 O ATOM 500 CB LYS A 38 4.637 -9.534 -0.178 1.00 0.00 C ATOM 501 CG LYS A 38 5.914 -8.827 -0.634 1.00 0.00 C ATOM 502 CD LYS A 38 6.246 -7.648 0.284 1.00 0.00 C ATOM 503 CE LYS A 38 7.497 -7.936 1.116 1.00 0.00 C ATOM 504 NZ LYS A 38 7.218 -7.741 2.556 1.00 0.00 N ATOM 0 H LYS A 38 3.352 -7.903 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 38 4.420 -10.566 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.065 -8.874 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.895 -10.416 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.744 -9.534 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.792 -8.472 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.401 -6.750 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.403 -7.449 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.831 -8.958 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.308 -7.278 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.078 -7.941 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.921 -6.758 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.459 -8.387 2.853 1.00 0.00 H new ATOM 518 N VAL A 39 1.467 -10.104 -0.714 1.00 0.00 N ATOM 519 CA VAL A 39 0.236 -10.779 -0.340 1.00 0.00 C ATOM 520 C VAL A 39 -0.082 -11.860 -1.375 1.00 0.00 C ATOM 521 O VAL A 39 -0.411 -12.990 -1.016 1.00 0.00 O ATOM 522 CB VAL A 39 -0.892 -9.757 -0.177 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.252 -10.451 -0.093 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.653 -8.869 1.046 1.00 0.00 C ATOM 0 H VAL A 39 1.407 -9.086 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 39 0.349 -11.275 0.624 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.896 -9.118 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.036 -9.703 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.426 -11.021 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.264 -11.125 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.468 -8.152 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.610 -9.488 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.289 -8.334 0.929 1.00 0.00 H new ATOM 534 N GLN A 40 0.026 -11.475 -2.638 1.00 0.00 N ATOM 535 CA GLN A 40 -0.246 -12.398 -3.727 1.00 0.00 C ATOM 536 C GLN A 40 0.443 -13.740 -3.471 1.00 0.00 C ATOM 537 O GLN A 40 -0.150 -14.797 -3.679 1.00 0.00 O ATOM 538 CB GLN A 40 0.189 -11.806 -5.069 1.00 0.00 C ATOM 539 CG GLN A 40 -0.559 -10.503 -5.362 1.00 0.00 C ATOM 540 CD GLN A 40 -1.706 -10.739 -6.347 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.470 -11.684 -6.235 1.00 0.00 O ATOM 542 NE2 GLN A 40 -1.782 -9.831 -7.315 1.00 0.00 N ATOM 0 H GLN A 40 0.298 -10.537 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.322 -12.567 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.263 -11.618 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.000 -12.525 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.952 -10.088 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.132 -9.767 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.110 -9.065 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.513 -9.900 -8.023 1.00 0.00 H new ATOM 551 N GLY A 41 1.687 -13.654 -3.022 1.00 0.00 N ATOM 552 CA GLY A 41 2.464 -14.848 -2.735 1.00 0.00 C ATOM 553 C GLY A 41 1.836 -15.649 -1.593 1.00 0.00 C ATOM 554 O GLY A 41 1.988 -16.868 -1.528 1.00 0.00 O ATOM 0 H GLY A 41 2.176 -12.776 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.526 -15.469 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.483 -14.568 -2.470 1.00 0.00 H new ATOM 558 N LEU A 42 1.142 -14.932 -0.721 1.00 0.00 N ATOM 559 CA LEU A 42 0.491 -15.561 0.415 1.00 0.00 C ATOM 560 C LEU A 42 -0.900 -16.043 -0.003 1.00 0.00 C ATOM 561 O LEU A 42 -1.467 -16.935 0.626 1.00 0.00 O ATOM 562 CB LEU A 42 0.477 -14.614 1.617 1.00 0.00 C ATOM 563 CG LEU A 42 1.834 -14.047 2.039 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.683 -13.083 3.217 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.828 -15.170 2.341 1.00 0.00 C ATOM 0 H LEU A 42 1.017 -13.921 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 42 1.051 -16.439 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.188 -13.781 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.046 -15.144 2.467 1.00 0.00 H new ATOM 0 HG LEU A 42 2.239 -13.475 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.662 -12.694 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.033 -12.256 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.246 -13.610 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.784 -14.739 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.442 -15.790 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.967 -15.782 1.450 1.00 0.00 H new ATOM 577 N GLU A 43 -1.409 -15.433 -1.063 1.00 0.00 N ATOM 578 CA GLU A 43 -2.723 -15.789 -1.573 1.00 0.00 C ATOM 579 C GLU A 43 -2.614 -16.968 -2.542 1.00 0.00 C ATOM 580 O GLU A 43 -3.502 -17.818 -2.593 1.00 0.00 O ATOM 581 CB GLU A 43 -3.395 -14.589 -2.242 1.00 0.00 C ATOM 582 CG GLU A 43 -4.471 -15.044 -3.230 1.00 0.00 C ATOM 583 CD GLU A 43 -3.973 -14.932 -4.673 1.00 0.00 C ATOM 584 OE1 GLU A 43 -4.013 -13.799 -5.201 1.00 0.00 O ATOM 585 OE2 GLU A 43 -3.564 -15.981 -5.215 1.00 0.00 O ATOM 0 H GLU A 43 -0.936 -14.694 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.348 -16.091 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.842 -13.947 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.646 -13.992 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.752 -16.075 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.367 -14.437 -3.103 1.00 0.00 H new ATOM 592 N GLN A 44 -1.518 -16.981 -3.287 1.00 0.00 N ATOM 593 CA GLN A 44 -1.282 -18.042 -4.251 1.00 0.00 C ATOM 594 C GLN A 44 -1.103 -19.381 -3.534 1.00 0.00 C ATOM 595 O GLN A 44 -1.651 -20.396 -3.960 1.00 0.00 O ATOM 596 CB GLN A 44 -0.071 -17.724 -5.131 1.00 0.00 C ATOM 597 CG GLN A 44 1.232 -18.112 -4.430 1.00 0.00 C ATOM 598 CD GLN A 44 2.447 -17.650 -5.237 1.00 0.00 C ATOM 599 OE1 GLN A 44 2.332 -17.021 -6.276 1.00 0.00 O ATOM 600 NE2 GLN A 44 3.615 -17.997 -4.703 1.00 0.00 N ATOM 0 H GLN A 44 -0.784 -16.274 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.153 -18.115 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.153 -18.260 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.058 -16.660 -5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.261 -17.667 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.269 -19.193 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.640 -18.524 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.485 -17.736 -5.167 1.00 0.00 H new ATOM 609 N ALA A 45 -0.332 -19.341 -2.457 1.00 0.00 N ATOM 610 CA ALA A 45 -0.073 -20.539 -1.677 1.00 0.00 C ATOM 611 C ALA A 45 -1.400 -21.113 -1.176 1.00 0.00 C ATOM 612 O ALA A 45 -1.540 -22.326 -1.030 1.00 0.00 O ATOM 613 CB ALA A 45 0.886 -20.205 -0.532 1.00 0.00 C ATOM 0 H ALA A 45 0.122 -18.497 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 45 0.405 -21.301 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.081 -21.104 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.824 -19.828 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.438 -19.445 0.108 1.00 0.00 H new ATOM 619 N VAL A 46 -2.341 -20.214 -0.927 1.00 0.00 N ATOM 620 CA VAL A 46 -3.652 -20.616 -0.446 1.00 0.00 C ATOM 621 C VAL A 46 -4.374 -21.402 -1.543 1.00 0.00 C ATOM 622 O VAL A 46 -4.707 -22.571 -1.357 1.00 0.00 O ATOM 623 CB VAL A 46 -4.435 -19.389 0.025 1.00 0.00 C ATOM 624 CG1 VAL A 46 -5.940 -19.664 0.017 1.00 0.00 C ATOM 625 CG2 VAL A 46 -3.967 -18.938 1.410 1.00 0.00 C ATOM 0 H VAL A 46 -2.222 -19.208 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.557 -21.275 0.417 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.239 -18.577 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.474 -18.776 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.259 -19.915 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.161 -20.497 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.540 -18.064 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.119 -19.745 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.908 -18.683 1.371 1.00 0.00 H new ATOM 635 N ASP A 47 -4.593 -20.728 -2.662 1.00 0.00 N ATOM 636 CA ASP A 47 -5.270 -21.348 -3.789 1.00 0.00 C ATOM 637 C ASP A 47 -4.642 -22.716 -4.064 1.00 0.00 C ATOM 638 O ASP A 47 -5.294 -23.603 -4.613 1.00 0.00 O ATOM 639 CB ASP A 47 -5.126 -20.499 -5.053 1.00 0.00 C ATOM 640 CG ASP A 47 -6.256 -20.660 -6.072 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.425 -20.645 -5.630 1.00 0.00 O ATOM 642 OD2 ASP A 47 -5.925 -20.794 -7.270 1.00 0.00 O ATOM 0 H ASP A 47 -4.314 -19.759 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.326 -21.443 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.065 -19.450 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.182 -20.751 -5.537 1.00 0.00 H new ATOM 647 N SER A 48 -3.383 -22.844 -3.672 1.00 0.00 N ATOM 648 CA SER A 48 -2.660 -24.088 -3.870 1.00 0.00 C ATOM 649 C SER A 48 -2.800 -24.977 -2.633 1.00 0.00 C ATOM 650 O SER A 48 -2.748 -26.202 -2.735 1.00 0.00 O ATOM 651 CB SER A 48 -1.183 -23.826 -4.170 1.00 0.00 C ATOM 652 OG SER A 48 -0.539 -24.969 -4.725 1.00 0.00 O ATOM 0 H SER A 48 -2.845 -22.106 -3.218 1.00 0.00 H new ATOM 0 HA SER A 48 -3.092 -24.601 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.097 -22.989 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.673 -23.533 -3.252 1.00 0.00 H new ATOM 0 HG SER A 48 0.402 -24.760 -4.904 1.00 0.00 H new ATOM 658 N PHE A 49 -2.975 -24.326 -1.492 1.00 0.00 N ATOM 659 CA PHE A 49 -3.123 -25.043 -0.237 1.00 0.00 C ATOM 660 C PHE A 49 -4.411 -25.869 -0.226 1.00 0.00 C ATOM 661 O PHE A 49 -5.384 -25.518 -0.891 1.00 0.00 O ATOM 662 CB PHE A 49 -3.197 -23.991 0.872 1.00 0.00 C ATOM 663 CG PHE A 49 -3.642 -24.546 2.227 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.728 -25.096 3.070 1.00 0.00 C ATOM 665 CD2 PHE A 49 -4.952 -24.488 2.588 1.00 0.00 C ATOM 666 CE1 PHE A 49 -3.142 -25.611 4.327 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.366 -25.002 3.845 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.452 -25.553 4.688 1.00 0.00 C ATOM 0 H PHE A 49 -3.018 -23.310 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.284 -25.725 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.217 -23.527 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.888 -23.205 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.688 -25.141 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.678 -24.051 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.416 -26.049 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.406 -24.955 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.766 -25.945 5.644 1.00 0.00 H new ATOM 678 N GLU A 50 -4.375 -26.952 0.537 1.00 0.00 N ATOM 679 CA GLU A 50 -5.527 -27.831 0.644 1.00 0.00 C ATOM 680 C GLU A 50 -5.493 -28.592 1.971 1.00 0.00 C ATOM 681 O GLU A 50 -6.106 -29.651 2.099 1.00 0.00 O ATOM 682 CB GLU A 50 -5.591 -28.797 -0.541 1.00 0.00 C ATOM 683 CG GLU A 50 -7.018 -29.302 -0.760 1.00 0.00 C ATOM 684 CD GLU A 50 -7.358 -29.356 -2.251 1.00 0.00 C ATOM 685 OE1 GLU A 50 -6.768 -30.218 -2.937 1.00 0.00 O ATOM 686 OE2 GLU A 50 -8.199 -28.533 -2.672 1.00 0.00 O ATOM 0 H GLU A 50 -3.566 -27.241 1.087 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.429 -27.220 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.236 -28.297 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.926 -29.642 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.128 -30.294 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.722 -28.647 -0.246 1.00 0.00 H new ATOM 693 N GLY A 51 -4.770 -28.023 2.924 1.00 0.00 N ATOM 694 CA GLY A 51 -4.648 -28.635 4.236 1.00 0.00 C ATOM 695 C GLY A 51 -5.934 -28.459 5.045 1.00 0.00 C ATOM 696 O GLY A 51 -7.032 -28.628 4.517 1.00 0.00 O ATOM 0 H GLY A 51 -4.263 -27.145 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.425 -29.696 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.812 -28.188 4.774 1.00 0.00 H new ATOM 700 N LYS A 52 -5.756 -28.123 6.314 1.00 0.00 N ATOM 701 CA LYS A 52 -6.890 -27.922 7.201 1.00 0.00 C ATOM 702 C LYS A 52 -6.578 -26.779 8.169 1.00 0.00 C ATOM 703 O LYS A 52 -5.571 -26.089 8.017 1.00 0.00 O ATOM 704 CB LYS A 52 -7.264 -29.232 7.897 1.00 0.00 C ATOM 705 CG LYS A 52 -6.020 -29.939 8.441 1.00 0.00 C ATOM 706 CD LYS A 52 -6.041 -31.429 8.096 1.00 0.00 C ATOM 707 CE LYS A 52 -6.311 -32.276 9.340 1.00 0.00 C ATOM 708 NZ LYS A 52 -6.964 -33.552 8.968 1.00 0.00 N ATOM 0 H LYS A 52 -4.844 -27.985 6.749 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.772 -27.627 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.957 -29.029 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.781 -29.886 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.124 -29.478 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.970 -29.813 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.809 -31.622 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.087 -31.717 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.374 -32.478 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.947 -31.724 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.140 -34.115 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.867 -33.354 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.344 -34.085 8.325 1.00 0.00 H new ATOM 722 N LYS A 53 -7.461 -26.613 9.143 1.00 0.00 N ATOM 723 CA LYS A 53 -7.293 -25.565 10.136 1.00 0.00 C ATOM 724 C LYS A 53 -6.349 -26.057 11.235 1.00 0.00 C ATOM 725 O LYS A 53 -6.138 -25.367 12.231 1.00 0.00 O ATOM 726 CB LYS A 53 -8.653 -25.097 10.656 1.00 0.00 C ATOM 727 CG LYS A 53 -9.368 -24.230 9.619 1.00 0.00 C ATOM 728 CD LYS A 53 -10.533 -23.465 10.252 1.00 0.00 C ATOM 729 CE LYS A 53 -11.585 -23.101 9.202 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.882 -23.734 9.527 1.00 0.00 N ATOM 0 H LYS A 53 -8.295 -27.187 9.266 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.830 -24.686 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.270 -25.962 10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.519 -24.531 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.662 -23.525 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.738 -24.858 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.989 -24.072 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.161 -22.558 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.703 -22.018 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.252 -23.426 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.585 -23.477 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.769 -24.768 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.206 -23.403 10.458 1.00 0.00 H new ATOM 744 N THR A 54 -5.808 -27.246 11.018 1.00 0.00 N ATOM 745 CA THR A 54 -4.892 -27.839 11.978 1.00 0.00 C ATOM 746 C THR A 54 -3.474 -27.883 11.405 1.00 0.00 C ATOM 747 O THR A 54 -2.523 -27.455 12.058 1.00 0.00 O ATOM 748 CB THR A 54 -5.436 -29.216 12.363 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.878 -30.094 11.388 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.946 -29.331 12.147 1.00 0.00 C ATOM 0 H THR A 54 -5.986 -27.816 10.191 1.00 0.00 H new ATOM 0 HA THR A 54 -4.824 -27.237 12.884 1.00 0.00 H new ATOM 0 HB THR A 54 -5.203 -29.419 13.408 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.178 -31.010 11.563 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.280 -30.328 12.436 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.458 -28.586 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.177 -29.161 11.095 1.00 0.00 H new ATOM 758 N ASP A 55 -3.377 -28.405 10.192 1.00 0.00 N ATOM 759 CA ASP A 55 -2.091 -28.511 9.523 1.00 0.00 C ATOM 760 C ASP A 55 -1.292 -27.227 9.757 1.00 0.00 C ATOM 761 O ASP A 55 -1.845 -26.129 9.702 1.00 0.00 O ATOM 762 CB ASP A 55 -2.267 -28.690 8.014 1.00 0.00 C ATOM 763 CG ASP A 55 -2.276 -30.143 7.532 1.00 0.00 C ATOM 764 OD1 ASP A 55 -2.185 -31.031 8.407 1.00 0.00 O ATOM 765 OD2 ASP A 55 -2.373 -30.331 6.301 1.00 0.00 O ATOM 0 H ASP A 55 -4.168 -28.759 9.654 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.570 -29.378 9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.202 -28.218 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.463 -28.159 7.504 1.00 0.00 H new ATOM 770 N LYS A 56 -0.005 -27.406 10.011 1.00 0.00 N ATOM 771 CA LYS A 56 0.875 -26.275 10.252 1.00 0.00 C ATOM 772 C LYS A 56 0.849 -25.346 9.038 1.00 0.00 C ATOM 773 O LYS A 56 0.793 -24.126 9.186 1.00 0.00 O ATOM 774 CB LYS A 56 2.278 -26.758 10.627 1.00 0.00 C ATOM 775 CG LYS A 56 3.080 -25.643 11.300 1.00 0.00 C ATOM 776 CD LYS A 56 3.926 -24.882 10.277 1.00 0.00 C ATOM 777 CE LYS A 56 5.148 -24.244 10.942 1.00 0.00 C ATOM 778 NZ LYS A 56 4.728 -23.313 12.013 1.00 0.00 N ATOM 0 H LYS A 56 0.450 -28.318 10.055 1.00 0.00 H new ATOM 0 HA LYS A 56 0.524 -25.695 11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.205 -27.614 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.801 -27.098 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.401 -24.953 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.726 -26.068 12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.250 -25.562 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.321 -24.110 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.790 -25.021 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.737 -23.709 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.553 -22.777 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.015 -22.654 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.321 -23.853 12.803 1.00 0.00 H new ATOM 792 N LYS A 57 0.892 -25.958 7.863 1.00 0.00 N ATOM 793 CA LYS A 57 0.874 -25.200 6.623 1.00 0.00 C ATOM 794 C LYS A 57 -0.125 -24.048 6.749 1.00 0.00 C ATOM 795 O LYS A 57 0.238 -22.886 6.574 1.00 0.00 O ATOM 796 CB LYS A 57 0.601 -26.124 5.435 1.00 0.00 C ATOM 797 CG LYS A 57 0.771 -25.378 4.110 1.00 0.00 C ATOM 798 CD LYS A 57 0.843 -26.356 2.935 1.00 0.00 C ATOM 799 CE LYS A 57 2.290 -26.565 2.483 1.00 0.00 C ATOM 800 NZ LYS A 57 2.792 -27.879 2.943 1.00 0.00 N ATOM 0 H LYS A 57 0.939 -26.970 7.744 1.00 0.00 H new ATOM 0 HA LYS A 57 1.851 -24.755 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.282 -26.975 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.411 -26.523 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.063 -24.691 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.678 -24.775 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.407 -27.312 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.250 -25.975 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.350 -26.506 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.920 -25.769 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.775 -28.005 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.753 -27.921 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.201 -28.636 2.543 1.00 0.00 H new ATOM 814 N TYR A 58 -1.363 -24.411 7.052 1.00 0.00 N ATOM 815 CA TYR A 58 -2.416 -23.422 7.203 1.00 0.00 C ATOM 816 C TYR A 58 -1.979 -22.293 8.139 1.00 0.00 C ATOM 817 O TYR A 58 -2.154 -21.117 7.824 1.00 0.00 O ATOM 818 CB TYR A 58 -3.600 -24.159 7.832 1.00 0.00 C ATOM 819 CG TYR A 58 -4.805 -23.264 8.127 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.492 -22.668 7.089 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.206 -23.054 9.431 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.627 -21.825 7.367 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.340 -22.212 9.709 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.995 -21.639 8.663 1.00 0.00 C ATOM 825 OH TYR A 58 -8.066 -20.843 8.926 1.00 0.00 O ATOM 0 H TYR A 58 -1.660 -25.376 7.197 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.664 -22.977 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.912 -24.962 7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.272 -24.627 8.760 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.179 -22.833 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.669 -23.522 10.243 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.173 -21.352 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.664 -22.039 10.725 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.759 -20.003 9.327 1.00 0.00 H new ATOM 835 N LEU A 59 -1.418 -22.691 9.272 1.00 0.00 N ATOM 836 CA LEU A 59 -0.954 -21.728 10.255 1.00 0.00 C ATOM 837 C LEU A 59 0.164 -20.880 9.645 1.00 0.00 C ATOM 838 O LEU A 59 0.100 -19.652 9.670 1.00 0.00 O ATOM 839 CB LEU A 59 -0.551 -22.436 11.550 1.00 0.00 C ATOM 840 CG LEU A 59 -1.697 -23.006 12.388 1.00 0.00 C ATOM 841 CD1 LEU A 59 -2.346 -24.202 11.688 1.00 0.00 C ATOM 842 CD2 LEU A 59 -1.224 -23.356 13.800 1.00 0.00 C ATOM 0 H LEU A 59 -1.275 -23.667 9.530 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.759 -21.046 10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.129 -23.250 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.008 -21.732 12.166 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.462 -22.236 12.487 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.157 -24.588 12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.742 -23.887 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.601 -24.983 11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.059 -23.759 14.374 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.430 -24.100 13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.846 -22.459 14.290 1.00 0.00 H new ATOM 854 N MET A 60 1.162 -21.569 9.111 1.00 0.00 N ATOM 855 CA MET A 60 2.292 -20.894 8.495 1.00 0.00 C ATOM 856 C MET A 60 1.822 -19.763 7.578 1.00 0.00 C ATOM 857 O MET A 60 2.394 -18.674 7.586 1.00 0.00 O ATOM 858 CB MET A 60 3.109 -21.902 7.685 1.00 0.00 C ATOM 859 CG MET A 60 4.572 -21.906 8.130 1.00 0.00 C ATOM 860 SD MET A 60 5.501 -23.087 7.166 1.00 0.00 S ATOM 861 CE MET A 60 5.198 -22.456 5.525 1.00 0.00 C ATOM 0 H MET A 60 1.212 -22.588 9.092 1.00 0.00 H new ATOM 0 HA MET A 60 2.908 -20.464 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.686 -22.899 7.806 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.048 -21.656 6.625 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.000 -20.910 8.011 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.638 -22.156 9.189 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.132 -22.440 4.963 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.479 -23.097 5.016 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.798 -21.444 5.592 1.00 0.00 H new ATOM 871 N ILE A 61 0.784 -20.060 6.810 1.00 0.00 N ATOM 872 CA ILE A 61 0.231 -19.082 5.889 1.00 0.00 C ATOM 873 C ILE A 61 -0.622 -18.079 6.669 1.00 0.00 C ATOM 874 O ILE A 61 -0.550 -16.875 6.425 1.00 0.00 O ATOM 875 CB ILE A 61 -0.523 -19.779 4.755 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.324 -20.895 4.138 1.00 0.00 C ATOM 877 CG2 ILE A 61 -0.993 -18.770 3.706 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.516 -21.766 3.202 1.00 0.00 C ATOM 0 H ILE A 61 0.312 -20.964 6.807 1.00 0.00 H new ATOM 0 HA ILE A 61 1.030 -18.517 5.409 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.415 -20.245 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.158 -20.461 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.751 -21.512 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.526 -19.293 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.658 -18.044 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.130 -18.254 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.109 -22.551 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.335 -22.218 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.922 -21.151 2.399 1.00 0.00 H new ATOM 890 N GLU A 62 -1.411 -18.612 7.590 1.00 0.00 N ATOM 891 CA GLU A 62 -2.277 -17.779 8.407 1.00 0.00 C ATOM 892 C GLU A 62 -1.490 -16.599 8.982 1.00 0.00 C ATOM 893 O GLU A 62 -1.966 -15.465 8.969 1.00 0.00 O ATOM 894 CB GLU A 62 -2.931 -18.597 9.522 1.00 0.00 C ATOM 895 CG GLU A 62 -4.221 -17.930 10.006 1.00 0.00 C ATOM 896 CD GLU A 62 -5.271 -18.977 10.385 1.00 0.00 C ATOM 897 OE1 GLU A 62 -5.089 -19.603 11.451 1.00 0.00 O ATOM 898 OE2 GLU A 62 -6.231 -19.128 9.599 1.00 0.00 O ATOM 0 H GLU A 62 -1.469 -19.611 7.789 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.073 -17.386 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.150 -19.602 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.237 -18.703 10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.006 -17.297 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.615 -17.281 9.224 1.00 0.00 H new ATOM 905 N GLU A 63 -0.298 -16.907 9.473 1.00 0.00 N ATOM 906 CA GLU A 63 0.559 -15.886 10.051 1.00 0.00 C ATOM 907 C GLU A 63 1.128 -14.986 8.953 1.00 0.00 C ATOM 908 O GLU A 63 1.190 -13.768 9.113 1.00 0.00 O ATOM 909 CB GLU A 63 1.680 -16.516 10.879 1.00 0.00 C ATOM 910 CG GLU A 63 2.967 -16.635 10.060 1.00 0.00 C ATOM 911 CD GLU A 63 4.054 -17.368 10.849 1.00 0.00 C ATOM 912 OE1 GLU A 63 3.696 -18.361 11.519 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.217 -16.920 10.764 1.00 0.00 O ATOM 0 H GLU A 63 0.094 -17.849 9.482 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.042 -15.272 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.865 -15.912 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.372 -17.503 11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.763 -17.169 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.320 -15.641 9.785 1.00 0.00 H new ATOM 920 N TYR A 64 1.530 -15.621 7.861 1.00 0.00 N ATOM 921 CA TYR A 64 2.092 -14.893 6.736 1.00 0.00 C ATOM 922 C TYR A 64 1.119 -13.824 6.233 1.00 0.00 C ATOM 923 O TYR A 64 1.531 -12.719 5.884 1.00 0.00 O ATOM 924 CB TYR A 64 2.310 -15.928 5.631 1.00 0.00 C ATOM 925 CG TYR A 64 3.421 -16.935 5.932 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.114 -16.862 7.124 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.730 -17.918 5.014 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.160 -17.811 7.408 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.776 -18.866 5.297 1.00 0.00 C ATOM 930 CZ TYR A 64 5.439 -18.766 6.480 1.00 0.00 C ATOM 931 OH TYR A 64 6.427 -19.662 6.749 1.00 0.00 O ATOM 0 H TYR A 64 1.478 -16.631 7.732 1.00 0.00 H new ATOM 0 HA TYR A 64 3.015 -14.391 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.378 -16.469 5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.546 -15.409 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.872 -16.094 7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.187 -17.976 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.710 -17.765 8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.028 -19.639 4.586 1.00 0.00 H new ATOM 0 HH TYR A 64 6.813 -19.469 7.629 1.00 0.00 H new ATOM 941 N LEU A 65 -0.154 -14.192 6.212 1.00 0.00 N ATOM 942 CA LEU A 65 -1.189 -13.278 5.758 1.00 0.00 C ATOM 943 C LEU A 65 -1.226 -12.058 6.679 1.00 0.00 C ATOM 944 O LEU A 65 -0.719 -10.994 6.327 1.00 0.00 O ATOM 945 CB LEU A 65 -2.531 -14.004 5.644 1.00 0.00 C ATOM 946 CG LEU A 65 -2.758 -14.795 4.354 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.839 -16.017 4.292 1.00 0.00 C ATOM 948 CD2 LEU A 65 -4.231 -15.178 4.198 1.00 0.00 C ATOM 0 H LEU A 65 -0.492 -15.110 6.502 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.963 -12.914 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.624 -14.688 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.329 -13.268 5.741 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.500 -14.155 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.020 -16.562 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.799 -15.692 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.042 -16.669 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.365 -15.739 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.539 -15.793 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.840 -14.275 4.166 1.00 0.00 H new ATOM 960 N THR A 66 -1.832 -12.252 7.842 1.00 0.00 N ATOM 961 CA THR A 66 -1.942 -11.179 8.816 1.00 0.00 C ATOM 962 C THR A 66 -0.668 -10.331 8.822 1.00 0.00 C ATOM 963 O THR A 66 -0.736 -9.104 8.873 1.00 0.00 O ATOM 964 CB THR A 66 -2.261 -11.806 10.175 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.662 -12.061 10.119 1.00 0.00 O ATOM 966 CG2 THR A 66 -2.108 -10.813 11.328 1.00 0.00 C ATOM 0 H THR A 66 -2.251 -13.136 8.131 1.00 0.00 H new ATOM 0 HA THR A 66 -2.750 -10.493 8.560 1.00 0.00 H new ATOM 0 HB THR A 66 -1.606 -12.661 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.954 -12.470 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.346 -11.309 12.269 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.082 -10.448 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.787 -9.974 11.178 1.00 0.00 H new ATOM 974 N LYS A 67 0.463 -11.019 8.769 1.00 0.00 N ATOM 975 CA LYS A 67 1.749 -10.344 8.767 1.00 0.00 C ATOM 976 C LYS A 67 1.662 -9.090 7.896 1.00 0.00 C ATOM 977 O LYS A 67 2.141 -8.025 8.284 1.00 0.00 O ATOM 978 CB LYS A 67 2.860 -11.309 8.346 1.00 0.00 C ATOM 979 CG LYS A 67 3.625 -11.830 9.565 1.00 0.00 C ATOM 980 CD LYS A 67 4.420 -13.090 9.215 1.00 0.00 C ATOM 981 CE LYS A 67 5.275 -13.545 10.400 1.00 0.00 C ATOM 982 NZ LYS A 67 4.418 -14.078 11.482 1.00 0.00 N ATOM 0 H LYS A 67 0.515 -12.037 8.727 1.00 0.00 H new ATOM 0 HA LYS A 67 2.007 -10.015 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.430 -12.147 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.549 -10.803 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.302 -11.058 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.925 -12.049 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.736 -13.888 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.060 -12.894 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.979 -14.311 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.864 -12.708 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.482 -13.457 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.431 -14.119 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.737 -15.034 11.739 1.00 0.00 H new ATOM 996 N GLU A 68 1.046 -9.257 6.735 1.00 0.00 N ATOM 997 CA GLU A 68 0.889 -8.151 5.805 1.00 0.00 C ATOM 998 C GLU A 68 -0.065 -7.103 6.382 1.00 0.00 C ATOM 999 O GLU A 68 0.212 -5.906 6.323 1.00 0.00 O ATOM 1000 CB GLU A 68 0.401 -8.645 4.442 1.00 0.00 C ATOM 1001 CG GLU A 68 1.339 -9.715 3.879 1.00 0.00 C ATOM 1002 CD GLU A 68 2.729 -9.137 3.607 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.463 -8.932 4.598 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.027 -8.913 2.414 1.00 0.00 O ATOM 0 H GLU A 68 0.650 -10.141 6.417 1.00 0.00 H new ATOM 0 HA GLU A 68 1.863 -7.685 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.605 -9.052 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.341 -7.807 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.417 -10.543 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.923 -10.120 2.957 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.169 -7.592 6.928 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.165 -6.713 7.516 1.00 0.00 C ATOM 1013 C LEU A 69 -1.470 -5.689 8.415 1.00 0.00 C ATOM 1014 O LEU A 69 -1.707 -4.488 8.295 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.244 -7.528 8.231 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.292 -8.189 7.333 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.832 -9.470 7.972 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.412 -7.207 6.985 1.00 0.00 C ATOM 0 H LEU A 69 -1.395 -8.585 6.975 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.685 -6.153 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.755 -8.306 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.758 -6.874 8.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.810 -8.474 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.575 -9.920 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.013 -10.172 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.293 -9.232 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.144 -7.701 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.898 -6.870 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.993 -6.349 6.460 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.625 -6.202 9.298 1.00 0.00 N ATOM 1031 CA LEU A 70 0.107 -5.348 10.217 1.00 0.00 C ATOM 1032 C LEU A 70 0.949 -4.350 9.420 1.00 0.00 C ATOM 1033 O LEU A 70 1.075 -3.190 9.807 1.00 0.00 O ATOM 1034 CB LEU A 70 0.921 -6.192 11.200 1.00 0.00 C ATOM 1035 CG LEU A 70 0.134 -6.836 12.343 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.376 -5.777 13.323 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -1.000 -7.711 11.804 1.00 0.00 C ATOM 0 H LEU A 70 -0.431 -7.199 9.396 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.584 -4.766 10.827 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.423 -6.982 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.699 -5.562 11.631 1.00 0.00 H new ATOM 0 HG LEU A 70 0.809 -7.489 12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.932 -6.262 14.126 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.470 -5.234 13.744 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.030 -5.080 12.798 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.543 -8.157 12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.681 -7.100 11.212 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.584 -8.501 11.178 1.00 0.00 H new ATOM 1049 N ALA A 71 1.504 -4.839 8.320 1.00 0.00 N ATOM 1050 CA ALA A 71 2.330 -4.004 7.464 1.00 0.00 C ATOM 1051 C ALA A 71 1.434 -3.053 6.669 1.00 0.00 C ATOM 1052 O ALA A 71 1.898 -2.027 6.173 1.00 0.00 O ATOM 1053 CB ALA A 71 3.187 -4.892 6.559 1.00 0.00 C ATOM 0 H ALA A 71 1.398 -5.802 8.002 1.00 0.00 H new ATOM 0 HA ALA A 71 3.009 -3.395 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.807 -4.266 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.826 -5.527 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.540 -5.516 5.943 1.00 0.00 H new ATOM 1059 N LEU A 72 0.167 -3.426 6.572 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.798 -2.619 5.845 1.00 0.00 C ATOM 1061 C LEU A 72 -1.439 -1.613 6.803 1.00 0.00 C ATOM 1062 O LEU A 72 -1.900 -0.554 6.379 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.809 -3.512 5.124 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.243 -4.418 4.029 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.207 -5.564 3.712 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -0.884 -3.610 2.780 1.00 0.00 C ATOM 0 H LEU A 72 -0.214 -4.277 6.985 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.302 -2.044 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.305 -4.138 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.575 -2.875 4.681 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.321 -4.866 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.780 -6.193 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.370 -6.161 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.158 -5.155 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.484 -4.278 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.777 -3.116 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.135 -2.860 3.035 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.447 -1.978 8.076 1.00 0.00 N ATOM 1079 CA ASP A 73 -2.023 -1.121 9.098 1.00 0.00 C ATOM 1080 C ASP A 73 -0.905 -0.347 9.799 1.00 0.00 C ATOM 1081 O ASP A 73 -1.165 0.639 10.487 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.763 -1.944 10.154 1.00 0.00 C ATOM 1083 CG ASP A 73 -4.176 -1.457 10.480 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -5.097 -1.838 9.726 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.304 -0.714 11.477 1.00 0.00 O ATOM 0 H ASP A 73 -1.063 -2.857 8.424 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.725 -0.443 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.821 -2.978 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.174 -1.944 11.071 1.00 0.00 H new ATOM 1090 N SER A 74 0.315 -0.824 9.601 1.00 0.00 N ATOM 1091 CA SER A 74 1.474 -0.189 10.206 1.00 0.00 C ATOM 1092 C SER A 74 1.674 1.207 9.614 1.00 0.00 C ATOM 1093 O SER A 74 2.048 2.139 10.325 1.00 0.00 O ATOM 1094 CB SER A 74 2.732 -1.036 10.006 1.00 0.00 C ATOM 1095 OG SER A 74 3.918 -0.316 10.333 1.00 0.00 O ATOM 0 H SER A 74 0.526 -1.643 9.030 1.00 0.00 H new ATOM 0 HA SER A 74 1.295 -0.100 11.278 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.669 -1.931 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.784 -1.369 8.969 1.00 0.00 H new ATOM 0 HG SER A 74 4.699 -0.891 10.194 1.00 0.00 H new ATOM 1101 N VAL A 75 1.416 1.309 8.318 1.00 0.00 N ATOM 1102 CA VAL A 75 1.563 2.576 7.623 1.00 0.00 C ATOM 1103 C VAL A 75 0.517 3.563 8.144 1.00 0.00 C ATOM 1104 O VAL A 75 -0.621 3.182 8.414 1.00 0.00 O ATOM 1105 CB VAL A 75 1.477 2.356 6.111 1.00 0.00 C ATOM 1106 CG1 VAL A 75 2.402 1.220 5.668 1.00 0.00 C ATOM 1107 CG2 VAL A 75 0.035 2.089 5.677 1.00 0.00 C ATOM 0 H VAL A 75 1.106 0.534 7.731 1.00 0.00 H new ATOM 0 HA VAL A 75 2.544 3.008 7.820 1.00 0.00 H new ATOM 0 HB VAL A 75 1.811 3.270 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.321 1.085 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.432 1.467 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.113 0.298 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.002 1.936 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.338 1.197 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.589 2.943 5.942 1.00 0.00 H new ATOM 1117 N ASP A 76 0.940 4.812 8.270 1.00 0.00 N ATOM 1118 CA ASP A 76 0.054 5.857 8.754 1.00 0.00 C ATOM 1119 C ASP A 76 -0.224 6.848 7.622 1.00 0.00 C ATOM 1120 O ASP A 76 0.692 7.500 7.123 1.00 0.00 O ATOM 1121 CB ASP A 76 0.693 6.628 9.911 1.00 0.00 C ATOM 1122 CG ASP A 76 2.043 7.273 9.592 1.00 0.00 C ATOM 1123 OD1 ASP A 76 2.948 6.517 9.176 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.140 8.506 9.771 1.00 0.00 O ATOM 0 H ASP A 76 1.885 5.124 8.045 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.867 5.386 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.002 7.407 10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.822 5.948 10.753 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.527 6.934 7.241 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.938 7.835 6.177 1.00 0.00 C ATOM 1131 C PRO A 77 -1.948 9.286 6.661 1.00 0.00 C ATOM 1132 O PRO A 77 -1.869 10.213 5.857 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.311 7.341 5.751 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.816 6.477 6.896 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.639 6.178 7.809 1.00 0.00 C ATOM 0 HA PRO A 77 -1.249 7.831 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.986 8.176 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.250 6.767 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.603 6.993 7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.248 5.552 6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.845 6.486 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.420 5.111 7.835 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.047 9.438 7.974 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.069 10.760 8.575 1.00 0.00 C ATOM 1145 C GLU A 78 -3.216 11.589 7.993 1.00 0.00 C ATOM 1146 O GLU A 78 -3.106 12.808 7.870 1.00 0.00 O ATOM 1147 CB GLU A 78 -0.728 11.472 8.384 1.00 0.00 C ATOM 1148 CG GLU A 78 0.053 11.532 9.699 1.00 0.00 C ATOM 1149 CD GLU A 78 0.357 12.979 10.090 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.723 13.749 9.176 1.00 0.00 O ATOM 1151 OE2 GLU A 78 0.216 13.283 11.295 1.00 0.00 O ATOM 0 H GLU A 78 -2.113 8.667 8.638 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.234 10.647 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.139 10.949 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.898 12.482 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.522 11.051 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.985 10.975 9.599 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.291 10.894 7.650 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.457 11.550 7.084 1.00 0.00 C ATOM 1160 C GLY A 79 -5.497 11.382 5.564 1.00 0.00 C ATOM 1161 O GLY A 79 -6.555 11.509 4.950 1.00 0.00 O ATOM 0 H GLY A 79 -4.379 9.883 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.363 11.132 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.440 12.610 7.336 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.331 11.099 5.001 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.220 10.913 3.565 1.00 0.00 C ATOM 1167 C ARG A 80 -5.227 9.865 3.085 1.00 0.00 C ATOM 1168 O ARG A 80 -4.968 8.666 3.171 1.00 0.00 O ATOM 1169 CB ARG A 80 -2.808 10.469 3.175 1.00 0.00 C ATOM 1170 CG ARG A 80 -1.816 11.627 3.300 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.546 12.267 1.937 1.00 0.00 C ATOM 1172 NE ARG A 80 -2.706 13.089 1.525 1.00 0.00 N ATOM 1173 CZ ARG A 80 -3.061 14.237 2.118 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -2.350 14.705 3.152 1.00 0.00 N ATOM 1175 NH2 ARG A 80 -4.129 14.916 1.677 1.00 0.00 N ATOM 0 H ARG A 80 -3.456 10.994 5.514 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.433 11.870 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.493 9.644 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.810 10.096 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.211 12.376 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.881 11.265 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.651 12.886 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.356 11.493 1.194 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.270 12.761 0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.538 14.188 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.621 15.579 3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.671 14.559 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.400 15.790 2.128 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.354 10.357 2.592 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.401 9.478 2.099 1.00 0.00 C ATOM 1191 C ALA A 81 -6.811 8.520 1.062 1.00 0.00 C ATOM 1192 O ALA A 81 -7.057 7.316 1.113 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.547 10.318 1.531 1.00 0.00 C ATOM 0 H ALA A 81 -6.565 11.353 2.523 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.809 8.875 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.333 9.659 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.951 10.960 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.175 10.934 0.713 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.043 9.091 0.145 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.416 8.303 -0.902 1.00 0.00 C ATOM 1201 C ASP A 82 -4.660 7.132 -0.270 1.00 0.00 C ATOM 1202 O ASP A 82 -4.734 6.005 -0.758 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.411 9.141 -1.695 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.877 9.561 -3.090 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.231 8.649 -3.869 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.870 10.784 -3.347 1.00 0.00 O ATOM 0 H ASP A 82 -5.841 10.090 0.106 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.199 7.949 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.176 10.038 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.485 8.574 -1.793 1.00 0.00 H new ATOM 1211 N VAL A 83 -3.951 7.439 0.806 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.183 6.426 1.510 1.00 0.00 C ATOM 1213 C VAL A 83 -4.136 5.527 2.300 1.00 0.00 C ATOM 1214 O VAL A 83 -4.073 4.303 2.193 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.122 7.091 2.389 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.302 6.044 3.145 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.216 8.003 1.560 1.00 0.00 C ATOM 0 H VAL A 83 -3.892 8.375 1.208 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.649 5.791 0.803 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.636 7.709 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.555 6.543 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.962 5.454 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.803 5.388 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.471 8.463 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.714 7.416 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.816 8.781 1.088 1.00 0.00 H new ATOM 1227 N ARG A 84 -4.998 6.168 3.076 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.962 5.442 3.883 1.00 0.00 C ATOM 1229 C ARG A 84 -6.690 4.400 3.032 1.00 0.00 C ATOM 1230 O ARG A 84 -6.807 3.241 3.428 1.00 0.00 O ATOM 1231 CB ARG A 84 -6.990 6.392 4.502 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.615 6.742 5.943 1.00 0.00 C ATOM 1233 CD ARG A 84 -7.826 7.279 6.710 1.00 0.00 C ATOM 1234 NE ARG A 84 -7.410 8.379 7.607 1.00 0.00 N ATOM 1235 CZ ARG A 84 -8.116 8.790 8.670 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -9.277 8.195 8.973 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -7.660 9.796 9.428 1.00 0.00 N ATOM 0 H ARG A 84 -5.048 7.183 3.162 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.415 4.945 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.053 7.303 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.977 5.929 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.225 5.857 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.819 7.487 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.581 7.636 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.283 6.478 7.291 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.531 8.855 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.624 7.429 8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.814 8.507 9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.776 10.249 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.197 10.109 10.237 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.160 4.849 1.877 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.873 3.970 0.966 1.00 0.00 C ATOM 1253 C GLN A 85 -7.061 2.698 0.712 1.00 0.00 C ATOM 1254 O GLN A 85 -7.527 1.594 0.988 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.196 4.686 -0.346 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.628 3.688 -1.423 1.00 0.00 C ATOM 1257 CD GLN A 85 -9.958 4.104 -2.055 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.754 4.821 -1.472 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.153 3.616 -3.277 1.00 0.00 N ATOM 0 H GLN A 85 -7.061 5.811 1.551 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.818 3.688 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.990 5.415 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.321 5.239 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.860 3.624 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.724 2.694 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.445 3.021 -3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.010 3.837 -3.783 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.860 2.896 0.187 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.979 1.779 -0.108 1.00 0.00 C ATOM 1270 C ALA A 86 -4.700 1.001 1.180 1.00 0.00 C ATOM 1271 O ALA A 86 -4.592 -0.224 1.158 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.699 2.298 -0.764 1.00 0.00 C ATOM 0 H ALA A 86 -5.477 3.813 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.451 1.093 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.038 1.460 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.949 2.817 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.196 2.987 -0.086 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.592 1.745 2.271 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.328 1.140 3.566 1.00 0.00 C ATOM 1280 C ARG A 87 -5.491 0.235 3.976 1.00 0.00 C ATOM 1281 O ARG A 87 -5.278 -0.860 4.494 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.119 2.209 4.640 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.960 1.573 6.023 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.817 2.229 6.800 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.227 2.460 8.203 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.300 3.177 8.564 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.078 3.737 7.628 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.596 3.334 9.862 1.00 0.00 N ATOM 0 H ARG A 87 -4.682 2.761 2.285 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.417 0.548 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.234 2.799 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.967 2.894 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.890 1.674 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.766 0.506 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.933 1.591 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.543 3.175 6.332 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.657 2.048 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.854 3.618 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.895 4.283 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.004 2.908 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.413 3.880 10.136 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.697 0.726 3.729 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.894 -0.025 4.067 1.00 0.00 C ATOM 1304 C ARG A 88 -8.197 -1.058 2.980 1.00 0.00 C ATOM 1305 O ARG A 88 -8.877 -2.051 3.234 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.100 0.904 4.228 1.00 0.00 C ATOM 1307 CG ARG A 88 -9.980 0.881 2.976 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.119 1.896 3.089 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.401 1.264 2.704 1.00 0.00 N ATOM 1310 CZ ARG A 88 -12.705 0.883 1.455 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -11.822 1.069 0.464 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -13.892 0.317 1.198 1.00 0.00 N ATOM 0 H ARG A 88 -6.871 1.634 3.299 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.711 -0.532 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.686 0.598 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.757 1.921 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.375 1.104 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.391 -0.118 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.182 2.272 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.919 2.753 2.445 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.096 1.109 3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.919 1.500 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.053 0.779 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.564 0.176 1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.124 0.027 0.248 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.676 -0.790 1.791 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.882 -1.684 0.665 1.00 0.00 C ATOM 1328 C ASP A 89 -6.931 -2.876 0.785 1.00 0.00 C ATOM 1329 O ASP A 89 -7.340 -4.022 0.606 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.589 -0.977 -0.660 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.116 -1.693 -1.905 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.933 -2.621 -1.723 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -7.691 -1.295 -3.011 1.00 0.00 O ATOM 0 H ASP A 89 -7.112 0.034 1.584 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.922 -2.009 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.021 0.023 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.510 -0.855 -0.759 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.679 -2.565 1.088 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.666 -3.596 1.234 1.00 0.00 C ATOM 1340 C GLY A 90 -5.079 -4.624 2.289 1.00 0.00 C ATOM 1341 O GLY A 90 -4.996 -5.829 2.053 1.00 0.00 O ATOM 0 H GLY A 90 -5.343 -1.613 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.509 -4.094 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.717 -3.141 1.516 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.514 -4.111 3.431 1.00 0.00 N ATOM 1346 CA VAL A 91 -5.940 -4.970 4.523 1.00 0.00 C ATOM 1347 C VAL A 91 -7.111 -5.837 4.058 1.00 0.00 C ATOM 1348 O VAL A 91 -7.144 -7.038 4.322 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.274 -4.124 5.753 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.046 -3.349 6.236 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.442 -3.178 5.468 1.00 0.00 C ATOM 0 H VAL A 91 -5.581 -3.112 3.624 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.134 -5.643 4.816 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.578 -4.801 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.311 -2.756 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.254 -4.050 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.697 -2.688 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.659 -2.589 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.178 -2.511 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.323 -3.759 5.195 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.046 -5.194 3.372 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.216 -5.892 2.867 1.00 0.00 C ATOM 1363 C ARG A 92 -8.794 -7.066 1.982 1.00 0.00 C ATOM 1364 O ARG A 92 -9.334 -8.165 2.103 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.113 -4.950 2.060 1.00 0.00 C ATOM 1366 CG ARG A 92 -10.994 -5.734 1.086 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.178 -4.887 0.615 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.151 -5.736 -0.109 1.00 0.00 N ATOM 1369 CZ ARG A 92 -12.953 -6.222 -1.342 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -11.816 -5.946 -1.996 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -13.891 -6.983 -1.921 1.00 0.00 N ATOM 0 H ARG A 92 -8.017 -4.198 3.155 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.776 -6.263 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.740 -4.370 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.497 -4.240 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.402 -6.048 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.360 -6.640 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.661 -4.414 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.827 -4.086 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.027 -5.965 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.102 -5.366 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.665 -6.316 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.756 -7.193 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.740 -7.353 -2.860 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.832 -6.794 1.113 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.331 -7.815 0.208 1.00 0.00 C ATOM 1387 C LYS A 93 -6.862 -9.024 1.020 1.00 0.00 C ATOM 1388 O LYS A 93 -7.205 -10.161 0.701 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.253 -7.235 -0.710 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.363 -8.342 -1.278 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.129 -9.198 -2.288 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.173 -9.863 -3.280 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.428 -9.375 -4.653 1.00 0.00 N ATOM 0 H LYS A 93 -7.386 -5.882 1.016 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.126 -8.163 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.722 -6.686 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.643 -6.522 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.490 -7.901 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.997 -8.971 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.702 -9.962 -1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.845 -8.577 -2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.142 -9.651 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.297 -10.945 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.770 -9.837 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.406 -9.600 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.287 -8.345 -4.687 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.084 -8.737 2.053 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.564 -9.787 2.913 1.00 0.00 C ATOM 1409 C VAL A 94 -6.726 -10.468 3.638 1.00 0.00 C ATOM 1410 O VAL A 94 -6.861 -11.690 3.590 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.518 -9.210 3.869 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.745 -10.326 4.574 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.566 -8.263 3.134 1.00 0.00 C ATOM 0 H VAL A 94 -5.801 -7.793 2.314 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.058 -10.550 2.322 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.042 -8.633 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.008 -9.889 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.438 -10.943 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.238 -10.942 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.833 -7.867 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.052 -8.807 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.134 -7.440 2.700 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.535 -9.649 4.293 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.681 -10.157 5.027 1.00 0.00 C ATOM 1425 C GLN A 95 -9.369 -11.270 4.234 1.00 0.00 C ATOM 1426 O GLN A 95 -9.499 -12.393 4.718 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.663 -9.032 5.358 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.124 -8.146 6.483 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.261 -7.412 7.196 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.310 -7.966 7.480 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.996 -6.137 7.468 1.00 0.00 N ATOM 0 H GLN A 95 -7.419 -8.636 4.331 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.327 -10.575 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.842 -8.428 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.622 -9.457 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.575 -8.756 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.419 -7.422 6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.097 -5.735 7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.692 -5.561 7.942 1.00 0.00 H new ATOM 1440 N THR A 96 -9.790 -10.919 3.028 1.00 0.00 N ATOM 1441 CA THR A 96 -10.461 -11.874 2.163 1.00 0.00 C ATOM 1442 C THR A 96 -9.647 -13.165 2.061 1.00 0.00 C ATOM 1443 O THR A 96 -10.152 -14.247 2.360 1.00 0.00 O ATOM 1444 CB THR A 96 -10.702 -11.200 0.811 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.821 -10.348 1.042 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.195 -12.182 -0.254 1.00 0.00 C ATOM 0 H THR A 96 -9.679 -9.987 2.629 1.00 0.00 H new ATOM 0 HA THR A 96 -11.427 -12.167 2.573 1.00 0.00 H new ATOM 0 HB THR A 96 -9.779 -10.729 0.471 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.044 -9.870 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.350 -11.652 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.452 -12.966 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.135 -12.629 0.070 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.401 -13.010 1.639 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.512 -14.150 1.494 1.00 0.00 C ATOM 1456 C ILE A 97 -7.589 -15.015 2.754 1.00 0.00 C ATOM 1457 O ILE A 97 -7.762 -16.229 2.667 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.095 -13.685 1.153 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.064 -12.960 -0.194 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.108 -14.853 1.198 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.841 -12.048 -0.298 1.00 0.00 C ATOM 0 H ILE A 97 -7.986 -12.112 1.393 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.827 -14.775 0.658 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.780 -12.968 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.048 -13.690 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.973 -12.371 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.109 -14.494 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.102 -15.286 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.409 -15.612 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.843 -11.545 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.873 -11.304 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.933 -12.644 -0.201 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.457 -14.355 3.895 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.510 -15.048 5.171 1.00 0.00 C ATOM 1475 C LEU A 98 -8.823 -15.827 5.269 1.00 0.00 C ATOM 1476 O LEU A 98 -8.894 -16.847 5.953 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.289 -14.066 6.323 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.870 -14.005 6.890 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.652 -12.717 7.687 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.556 -15.251 7.719 1.00 0.00 C ATOM 0 H LEU A 98 -7.313 -13.347 3.963 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.702 -15.776 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.566 -13.068 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.971 -14.327 7.132 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.170 -13.989 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.635 -12.699 8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.805 -11.856 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.360 -12.677 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.541 -15.182 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.260 -15.323 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.643 -16.137 7.091 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.830 -15.317 4.575 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.137 -15.952 4.576 1.00 0.00 C ATOM 1494 C GLU A 99 -11.171 -17.096 3.561 1.00 0.00 C ATOM 1495 O GLU A 99 -11.916 -18.060 3.732 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.242 -14.933 4.291 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.369 -15.562 3.469 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.524 -14.577 3.279 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.731 -13.761 4.203 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.174 -14.663 2.215 1.00 0.00 O ATOM 0 H GLU A 99 -9.767 -14.471 4.008 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.318 -16.366 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.642 -14.552 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.826 -14.081 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.986 -15.871 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.731 -16.460 3.969 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.356 -16.952 2.527 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.283 -17.962 1.484 1.00 0.00 C ATOM 1509 C LYS A 100 -9.554 -19.194 2.023 1.00 0.00 C ATOM 1510 O LYS A 100 -9.985 -20.324 1.797 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.654 -17.380 0.217 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.194 -17.816 0.080 1.00 0.00 C ATOM 1513 CD LYS A 100 -7.492 -17.041 -1.037 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.084 -17.393 -2.403 1.00 0.00 C ATOM 1515 NZ LYS A 100 -7.524 -16.512 -3.453 1.00 0.00 N ATOM 0 H LYS A 100 -9.740 -16.151 2.389 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.283 -18.284 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.218 -17.707 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.711 -16.292 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.672 -17.654 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.148 -18.885 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.590 -15.970 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.426 -17.269 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.869 -18.435 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.169 -17.290 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.185 -16.464 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.380 -15.558 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.613 -16.895 -3.778 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.461 -18.935 2.727 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.667 -20.009 3.300 1.00 0.00 C ATOM 1531 C LEU A 101 -8.578 -20.932 4.111 1.00 0.00 C ATOM 1532 O LEU A 101 -8.644 -22.132 3.849 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.496 -19.439 4.102 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.374 -20.423 4.441 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.954 -21.223 3.206 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.189 -19.703 5.088 1.00 0.00 C ATOM 0 H LEU A 101 -8.107 -17.997 2.913 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.218 -20.615 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.067 -18.609 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.885 -19.027 5.033 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.755 -21.136 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.155 -21.915 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.809 -21.784 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.598 -20.541 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.406 -20.426 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.799 -18.953 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.516 -19.217 6.007 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.257 -20.338 5.081 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.161 -21.093 5.933 1.00 0.00 C ATOM 1550 C GLU A 102 -10.889 -22.163 5.118 1.00 0.00 C ATOM 1551 O GLU A 102 -10.807 -23.350 5.431 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.156 -20.166 6.633 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.438 -19.214 7.592 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.427 -18.250 8.251 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.033 -17.457 7.499 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.555 -18.329 9.492 1.00 0.00 O ATOM 0 H GLU A 102 -9.200 -19.343 5.296 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.572 -21.590 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.708 -19.591 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.886 -20.759 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.919 -19.788 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.680 -18.649 7.049 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.585 -21.706 4.087 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.326 -22.609 3.224 1.00 0.00 C ATOM 1565 C GLN A 103 -11.410 -23.719 2.704 1.00 0.00 C ATOM 1566 O GLN A 103 -11.805 -24.882 2.651 1.00 0.00 O ATOM 1567 CB GLN A 103 -12.980 -21.851 2.068 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.193 -21.053 2.551 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.495 -21.672 2.040 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.834 -21.592 0.870 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.204 -22.293 2.978 1.00 0.00 N ATOM 0 H GLN A 103 -11.651 -20.721 3.830 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.122 -23.067 3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.254 -21.177 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.288 -22.555 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.203 -21.024 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.116 -20.022 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.863 -22.323 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.089 -22.739 2.737 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.202 -23.319 2.333 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.226 -24.265 1.819 1.00 0.00 C ATOM 1582 C LYS A 104 -8.919 -25.309 2.894 1.00 0.00 C ATOM 1583 O LYS A 104 -8.749 -26.488 2.588 1.00 0.00 O ATOM 1584 CB LYS A 104 -7.987 -23.529 1.304 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.376 -22.411 0.335 1.00 0.00 C ATOM 1586 CD LYS A 104 -7.889 -22.721 -1.082 1.00 0.00 C ATOM 1587 CE LYS A 104 -8.693 -23.866 -1.701 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.034 -23.560 -3.108 1.00 0.00 N ATOM 0 H LYS A 104 -9.877 -22.353 2.378 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.630 -24.801 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.433 -23.110 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.323 -24.234 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.459 -22.287 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.948 -21.467 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.980 -21.831 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.832 -22.986 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.117 -24.790 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.605 -24.029 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.580 -24.348 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.602 -22.690 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.160 -23.427 -3.656 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.857 -24.838 4.131 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.573 -25.717 5.253 1.00 0.00 C ATOM 1604 C ALA A 105 -9.888 -26.131 5.916 1.00 0.00 C ATOM 1605 O ALA A 105 -9.954 -26.273 7.136 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.625 -25.013 6.226 1.00 0.00 C ATOM 0 H ALA A 105 -8.999 -23.859 4.381 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.075 -26.625 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.412 -25.672 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.695 -24.766 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.092 -24.098 6.591 1.00 0.00 H new ATOM 1612 N SER A 106 -10.902 -26.313 5.083 1.00 0.00 N ATOM 1613 CA SER A 106 -12.212 -26.708 5.573 1.00 0.00 C ATOM 1614 C SER A 106 -12.792 -27.810 4.685 1.00 0.00 C ATOM 1615 O SER A 106 -13.958 -28.177 4.827 1.00 0.00 O ATOM 1616 CB SER A 106 -13.164 -25.512 5.625 1.00 0.00 C ATOM 1617 OG SER A 106 -14.522 -25.901 5.435 1.00 0.00 O ATOM 0 H SER A 106 -10.843 -26.194 4.072 1.00 0.00 H new ATOM 0 HA SER A 106 -12.097 -27.090 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.062 -25.009 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.883 -24.791 4.857 1.00 0.00 H new ATOM 0 HG SER A 106 -14.641 -26.828 5.731 1.00 0.00 H new ATOM 1623 N GLY A 107 -11.952 -28.309 3.790 1.00 0.00 N ATOM 1624 CA GLY A 107 -12.368 -29.362 2.879 1.00 0.00 C ATOM 1625 C GLY A 107 -11.161 -30.148 2.363 1.00 0.00 C ATOM 1626 O GLY A 107 -10.046 -29.629 2.329 1.00 0.00 O ATOM 0 H GLY A 107 -10.985 -28.004 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.056 -30.037 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.910 -28.928 2.039 1.00 0.00 H new ATOM 1630 N PRO A 108 -11.431 -31.420 1.965 1.00 0.00 N ATOM 1631 CA PRO A 108 -10.380 -32.283 1.453 1.00 0.00 C ATOM 1632 C PRO A 108 -9.988 -31.884 0.029 1.00 0.00 C ATOM 1633 O PRO A 108 -10.365 -30.813 -0.445 1.00 0.00 O ATOM 1634 CB PRO A 108 -10.949 -33.690 1.540 1.00 0.00 C ATOM 1635 CG PRO A 108 -12.455 -33.524 1.659 1.00 0.00 C ATOM 1636 CD PRO A 108 -12.739 -32.068 1.992 1.00 0.00 C ATOM 0 HA PRO A 108 -9.456 -32.205 2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -10.689 -34.272 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.545 -34.222 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.945 -33.805 0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -12.851 -34.178 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -13.418 -31.621 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -13.209 -31.970 2.970 1.00 0.00 H new ATOM 1644 N SER A 109 -9.237 -32.766 -0.614 1.00 0.00 N ATOM 1645 CA SER A 109 -8.790 -32.519 -1.974 1.00 0.00 C ATOM 1646 C SER A 109 -9.991 -32.479 -2.920 1.00 0.00 C ATOM 1647 O SER A 109 -10.957 -33.219 -2.735 1.00 0.00 O ATOM 1648 CB SER A 109 -7.792 -33.585 -2.428 1.00 0.00 C ATOM 1649 OG SER A 109 -7.142 -33.226 -3.644 1.00 0.00 O ATOM 0 H SER A 109 -8.927 -33.653 -0.218 1.00 0.00 H new ATOM 0 HA SER A 109 -8.284 -31.554 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.045 -33.737 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.311 -34.534 -2.561 1.00 0.00 H new ATOM 0 HG SER A 109 -6.941 -32.267 -3.637 1.00 0.00 H new ATOM 1655 N SER A 110 -9.893 -31.608 -3.914 1.00 0.00 N ATOM 1656 CA SER A 110 -10.960 -31.463 -4.890 1.00 0.00 C ATOM 1657 C SER A 110 -10.373 -31.402 -6.302 1.00 0.00 C ATOM 1658 O SER A 110 -9.364 -30.737 -6.530 1.00 0.00 O ATOM 1659 CB SER A 110 -11.796 -30.213 -4.609 1.00 0.00 C ATOM 1660 OG SER A 110 -10.983 -29.084 -4.300 1.00 0.00 O ATOM 0 H SER A 110 -9.091 -30.996 -4.064 1.00 0.00 H new ATOM 0 HA SER A 110 -11.615 -32.331 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.414 -29.987 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.474 -30.410 -3.778 1.00 0.00 H new ATOM 0 HG SER A 110 -11.554 -28.306 -4.129 1.00 0.00 H new ATOM 1666 N GLY A 111 -11.030 -32.106 -7.212 1.00 0.00 N ATOM 1667 CA GLY A 111 -10.586 -32.141 -8.595 1.00 0.00 C ATOM 1668 C GLY A 111 -9.226 -32.830 -8.717 1.00 0.00 C ATOM 1669 O GLY A 111 -8.977 -33.555 -9.679 1.00 0.00 O ATOM 0 H GLY A 111 -11.866 -32.657 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.321 -32.669 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.519 -31.125 -8.985 1.00 0.00 H new TER 1673 GLY A 111