USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 GLU N :NH3+ -169:sc= 0.581 (180deg=0.288) USER MOD Single : A 2 LYS NZ :NH3+ 131:sc= 1.26 (180deg=0.454) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.0197 (180deg=-0.197) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0244 (180deg=-0.227) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.163 USER MOD Single : A 26 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 29 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 43:sc= -0.378 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0958 (180deg=-0.587) USER MOD Single : A 48 GLN : amide:sc= 0.794 K(o=0.79,f=-0.00074) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.474 K(o=0.47,f=-4.1!) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 1.53 (180deg=1.49) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -150:sc= -1.06 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.775 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.543) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -94:sc= 0.0889 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.931) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -21.357 1.728 21.502 1.00 0.00 N ATOM 2 CA GLU A 1 -20.379 2.803 21.442 1.00 0.00 C ATOM 3 C GLU A 1 -20.137 3.153 20.006 1.00 0.00 C ATOM 4 O GLU A 1 -20.195 2.285 19.137 1.00 0.00 O ATOM 5 CB GLU A 1 -19.027 2.431 22.108 1.00 0.00 C ATOM 6 CG GLU A 1 -19.069 2.148 23.609 1.00 0.00 C ATOM 7 CD GLU A 1 -19.826 0.902 23.940 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.060 0.967 24.042 1.00 0.00 O ATOM 9 OE2 GLU A 1 -19.217 -0.167 24.051 1.00 0.00 O ATOM 0 H1 GLU A 1 -21.673 1.601 22.485 1.00 0.00 H new ATOM 0 H2 GLU A 1 -22.173 1.967 20.904 1.00 0.00 H new ATOM 0 H3 GLU A 1 -20.925 0.846 21.161 1.00 0.00 H new ATOM 0 HA GLU A 1 -20.788 3.648 21.996 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.628 1.550 21.605 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.323 3.245 21.932 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -18.050 2.061 23.987 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -19.527 2.994 24.121 1.00 0.00 H new ATOM 18 N LYS A 2 -19.865 4.405 19.755 1.00 0.00 N ATOM 19 CA LYS A 2 -19.616 4.869 18.421 1.00 0.00 C ATOM 20 C LYS A 2 -18.231 4.463 17.983 1.00 0.00 C ATOM 21 O LYS A 2 -17.264 4.650 18.724 1.00 0.00 O ATOM 22 CB LYS A 2 -19.702 6.394 18.343 1.00 0.00 C ATOM 23 CG LYS A 2 -21.066 6.999 18.645 1.00 0.00 C ATOM 24 CD LYS A 2 -21.000 8.523 18.553 1.00 0.00 C ATOM 25 CE LYS A 2 -20.580 8.982 17.162 1.00 0.00 C ATOM 26 NZ LYS A 2 -20.318 10.434 17.106 1.00 0.00 N ATOM 0 H LYS A 2 -19.810 5.130 20.470 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.372 4.425 17.774 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.977 6.816 19.039 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.402 6.705 17.342 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.805 6.617 17.941 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.391 6.701 19.642 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.974 8.946 18.798 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.293 8.903 19.291 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.683 8.441 16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.362 8.728 16.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.403 10.604 16.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.073 10.902 16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.294 10.820 18.071 1.00 0.00 H new ATOM 40 N LYS A 3 -18.136 3.881 16.830 1.00 0.00 N ATOM 41 CA LYS A 3 -16.863 3.634 16.225 1.00 0.00 C ATOM 42 C LYS A 3 -16.789 4.583 15.061 1.00 0.00 C ATOM 43 O LYS A 3 -17.192 4.252 13.939 1.00 0.00 O ATOM 44 CB LYS A 3 -16.702 2.181 15.755 1.00 0.00 C ATOM 45 CG LYS A 3 -15.273 1.840 15.351 1.00 0.00 C ATOM 46 CD LYS A 3 -15.124 0.400 14.905 1.00 0.00 C ATOM 47 CE LYS A 3 -13.654 0.019 14.835 1.00 0.00 C ATOM 48 NZ LYS A 3 -13.447 -1.350 14.330 1.00 0.00 N ATOM 0 H LYS A 3 -18.935 3.564 16.281 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.059 3.790 16.944 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.018 1.510 16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.365 2.003 14.908 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.960 2.501 14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.606 2.027 16.193 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.645 -0.259 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.589 0.265 13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.130 0.724 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.212 0.107 15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.429 -1.559 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.923 -2.028 14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.843 -1.430 13.372 1.00 0.00 H new ATOM 62 N GLU A 4 -16.387 5.786 15.340 1.00 0.00 N ATOM 63 CA GLU A 4 -16.443 6.818 14.362 1.00 0.00 C ATOM 64 C GLU A 4 -15.079 7.387 14.046 1.00 0.00 C ATOM 65 O GLU A 4 -14.173 7.420 14.900 1.00 0.00 O ATOM 66 CB GLU A 4 -17.415 7.908 14.833 1.00 0.00 C ATOM 67 CG GLU A 4 -17.559 9.076 13.887 1.00 0.00 C ATOM 68 CD GLU A 4 -18.639 10.006 14.292 1.00 0.00 C ATOM 69 OE1 GLU A 4 -18.431 10.824 15.200 1.00 0.00 O ATOM 70 OE2 GLU A 4 -19.729 9.937 13.717 1.00 0.00 O ATOM 0 H GLU A 4 -16.015 6.074 16.245 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.809 6.389 13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.396 7.459 14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.080 8.281 15.801 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.615 9.619 13.840 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.763 8.703 12.883 1.00 0.00 H new ATOM 77 N GLN A 5 -14.936 7.801 12.819 1.00 0.00 N ATOM 78 CA GLN A 5 -13.763 8.445 12.334 1.00 0.00 C ATOM 79 C GLN A 5 -14.078 9.922 12.242 1.00 0.00 C ATOM 80 O GLN A 5 -15.099 10.308 11.635 1.00 0.00 O ATOM 81 CB GLN A 5 -13.409 7.933 10.943 1.00 0.00 C ATOM 82 CG GLN A 5 -13.216 6.434 10.850 1.00 0.00 C ATOM 83 CD GLN A 5 -12.870 6.006 9.444 1.00 0.00 C ATOM 84 OE1 GLN A 5 -11.695 5.941 9.073 1.00 0.00 O ATOM 85 NE2 GLN A 5 -13.863 5.711 8.663 1.00 0.00 N ATOM 0 H GLN A 5 -15.661 7.693 12.110 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.922 8.248 12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.198 8.228 10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.494 8.425 10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.423 6.125 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.127 5.928 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.821 5.778 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.686 5.412 7.704 1.00 0.00 H new ATOM 94 N LYS A 6 -13.256 10.731 12.851 1.00 0.00 N ATOM 95 CA LYS A 6 -13.425 12.164 12.817 1.00 0.00 C ATOM 96 C LYS A 6 -13.087 12.656 11.421 1.00 0.00 C ATOM 97 O LYS A 6 -13.755 13.556 10.869 1.00 0.00 O ATOM 98 CB LYS A 6 -12.521 12.841 13.852 1.00 0.00 C ATOM 99 CG LYS A 6 -12.696 12.303 15.269 1.00 0.00 C ATOM 100 CD LYS A 6 -11.841 13.060 16.270 1.00 0.00 C ATOM 101 CE LYS A 6 -12.315 14.493 16.437 1.00 0.00 C ATOM 102 NZ LYS A 6 -11.460 15.249 17.370 1.00 0.00 N ATOM 0 H LYS A 6 -12.447 10.418 13.387 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.457 12.416 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.481 12.714 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.724 13.912 13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.744 12.376 15.558 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.432 11.246 15.291 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.871 12.551 17.234 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.802 13.056 15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.321 14.989 15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.342 14.496 16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.817 16.222 17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.474 14.790 18.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.485 15.269 17.009 1.00 0.00 H new ATOM 116 N GLU A 7 -12.070 12.038 10.845 1.00 0.00 N ATOM 117 CA GLU A 7 -11.657 12.323 9.494 1.00 0.00 C ATOM 118 C GLU A 7 -12.599 11.632 8.510 1.00 0.00 C ATOM 119 O GLU A 7 -13.274 10.645 8.850 1.00 0.00 O ATOM 120 CB GLU A 7 -10.228 11.826 9.244 1.00 0.00 C ATOM 121 CG GLU A 7 -9.160 12.453 10.119 1.00 0.00 C ATOM 122 CD GLU A 7 -7.781 11.914 9.804 1.00 0.00 C ATOM 123 OE1 GLU A 7 -7.442 10.809 10.267 1.00 0.00 O ATOM 124 OE2 GLU A 7 -7.011 12.580 9.072 1.00 0.00 O ATOM 0 H GLU A 7 -11.510 11.323 11.308 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.689 13.403 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.206 10.746 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.974 12.012 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.167 13.534 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.393 12.264 11.167 1.00 0.00 H new ATOM 131 N LYS A 8 -12.638 12.132 7.303 1.00 0.00 N ATOM 132 CA LYS A 8 -13.453 11.544 6.254 1.00 0.00 C ATOM 133 C LYS A 8 -12.529 10.852 5.265 1.00 0.00 C ATOM 134 O LYS A 8 -12.929 10.439 4.175 1.00 0.00 O ATOM 135 CB LYS A 8 -14.289 12.627 5.568 1.00 0.00 C ATOM 136 CG LYS A 8 -15.243 13.339 6.509 1.00 0.00 C ATOM 137 CD LYS A 8 -15.935 14.499 5.825 1.00 0.00 C ATOM 138 CE LYS A 8 -16.842 15.232 6.796 1.00 0.00 C ATOM 139 NZ LYS A 8 -17.410 16.460 6.213 1.00 0.00 N ATOM 0 H LYS A 8 -12.110 12.955 7.012 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.145 10.813 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.620 13.360 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.860 12.175 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.989 12.633 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.695 13.702 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.191 15.188 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.519 14.134 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.652 14.570 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.279 15.486 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.022 16.926 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.640 17.105 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.970 16.218 5.371 1.00 0.00 H new ATOM 153 N GLU A 9 -11.288 10.719 5.696 1.00 0.00 N ATOM 154 CA GLU A 9 -10.241 10.075 4.946 1.00 0.00 C ATOM 155 C GLU A 9 -10.572 8.603 4.816 1.00 0.00 C ATOM 156 O GLU A 9 -10.880 7.941 5.819 1.00 0.00 O ATOM 157 CB GLU A 9 -8.922 10.204 5.709 1.00 0.00 C ATOM 158 CG GLU A 9 -8.506 11.627 6.039 1.00 0.00 C ATOM 159 CD GLU A 9 -8.198 12.445 4.825 1.00 0.00 C ATOM 160 OE1 GLU A 9 -7.073 12.345 4.302 1.00 0.00 O ATOM 161 OE2 GLU A 9 -9.065 13.202 4.362 1.00 0.00 O ATOM 0 H GLU A 9 -10.979 11.068 6.603 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.153 10.538 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.001 9.640 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.132 9.738 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.304 12.111 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.629 11.602 6.685 1.00 0.00 H new ATOM 168 N LYS A 10 -10.548 8.097 3.629 1.00 0.00 N ATOM 169 CA LYS A 10 -10.803 6.702 3.418 1.00 0.00 C ATOM 170 C LYS A 10 -9.482 6.009 3.163 1.00 0.00 C ATOM 171 O LYS A 10 -8.984 5.982 2.039 1.00 0.00 O ATOM 172 CB LYS A 10 -11.763 6.471 2.244 1.00 0.00 C ATOM 173 CG LYS A 10 -13.118 7.152 2.374 1.00 0.00 C ATOM 174 CD LYS A 10 -13.991 6.838 1.166 1.00 0.00 C ATOM 175 CE LYS A 10 -15.336 7.547 1.226 1.00 0.00 C ATOM 176 NZ LYS A 10 -15.193 9.020 1.228 1.00 0.00 N ATOM 0 H LYS A 10 -10.353 8.629 2.781 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.283 6.291 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.284 6.821 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.922 5.399 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.614 6.817 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.983 8.230 2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.468 7.132 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.152 5.762 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.943 7.244 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.870 7.234 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.122 9.459 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.819 9.331 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.538 9.306 0.473 1.00 0.00 H new ATOM 190 N LYS A 11 -8.884 5.525 4.210 1.00 0.00 N ATOM 191 CA LYS A 11 -7.622 4.866 4.103 1.00 0.00 C ATOM 192 C LYS A 11 -7.766 3.404 4.414 1.00 0.00 C ATOM 193 O LYS A 11 -8.801 2.960 4.935 1.00 0.00 O ATOM 194 CB LYS A 11 -6.559 5.509 5.005 1.00 0.00 C ATOM 195 CG LYS A 11 -6.075 6.877 4.553 1.00 0.00 C ATOM 196 CD LYS A 11 -4.953 7.371 5.451 1.00 0.00 C ATOM 197 CE LYS A 11 -4.287 8.630 4.908 1.00 0.00 C ATOM 198 NZ LYS A 11 -5.193 9.791 4.850 1.00 0.00 N ATOM 0 H LYS A 11 -9.257 5.577 5.158 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.282 4.976 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.965 5.599 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.702 4.839 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.726 6.823 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.903 7.586 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.350 7.573 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.205 6.585 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.430 8.878 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.903 8.427 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.680 10.613 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.999 9.572 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.540 10.009 5.806 1.00 0.00 H new ATOM 212 N GLU A 12 -6.751 2.663 4.088 1.00 0.00 N ATOM 213 CA GLU A 12 -6.735 1.255 4.332 1.00 0.00 C ATOM 214 C GLU A 12 -6.375 1.059 5.808 1.00 0.00 C ATOM 215 O GLU A 12 -5.256 1.383 6.239 1.00 0.00 O ATOM 216 CB GLU A 12 -5.715 0.604 3.409 1.00 0.00 C ATOM 217 CG GLU A 12 -5.932 -0.868 3.182 1.00 0.00 C ATOM 218 CD GLU A 12 -7.278 -1.164 2.595 1.00 0.00 C ATOM 219 OE1 GLU A 12 -7.474 -0.929 1.377 1.00 0.00 O ATOM 220 OE2 GLU A 12 -8.162 -1.650 3.338 1.00 0.00 O ATOM 0 H GLU A 12 -5.906 3.021 3.643 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.701 0.791 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.736 1.115 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.719 0.752 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.157 -1.248 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.827 -1.398 4.129 1.00 0.00 H new ATOM 227 N GLN A 13 -7.326 0.591 6.570 1.00 0.00 N ATOM 228 CA GLN A 13 -7.206 0.513 8.013 1.00 0.00 C ATOM 229 C GLN A 13 -6.631 -0.811 8.453 1.00 0.00 C ATOM 230 O GLN A 13 -5.620 -0.859 9.151 1.00 0.00 O ATOM 231 CB GLN A 13 -8.599 0.798 8.649 1.00 0.00 C ATOM 232 CG GLN A 13 -8.687 0.964 10.189 1.00 0.00 C ATOM 233 CD GLN A 13 -8.513 -0.319 11.002 1.00 0.00 C ATOM 234 OE1 GLN A 13 -9.472 -1.037 11.251 1.00 0.00 O ATOM 235 NE2 GLN A 13 -7.319 -0.579 11.474 1.00 0.00 N ATOM 0 H GLN A 13 -8.217 0.248 6.210 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.502 1.269 8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.992 1.707 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.267 -0.015 8.364 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.926 1.678 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.655 1.400 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.537 0.037 11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.171 -1.397 12.065 1.00 0.00 H new ATOM 244 N GLU A 14 -7.215 -1.857 7.977 1.00 0.00 N ATOM 245 CA GLU A 14 -6.954 -3.233 8.461 1.00 0.00 C ATOM 246 C GLU A 14 -5.622 -3.844 7.992 1.00 0.00 C ATOM 247 O GLU A 14 -5.443 -5.066 8.027 1.00 0.00 O ATOM 248 CB GLU A 14 -8.124 -4.140 8.101 1.00 0.00 C ATOM 249 CG GLU A 14 -9.429 -3.708 8.734 1.00 0.00 C ATOM 250 CD GLU A 14 -10.567 -4.623 8.409 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.728 -5.655 9.082 1.00 0.00 O ATOM 252 OE2 GLU A 14 -11.345 -4.318 7.491 1.00 0.00 O ATOM 0 H GLU A 14 -7.905 -1.814 7.227 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.856 -3.153 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.242 -4.158 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.895 -5.159 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.304 -3.662 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.673 -2.700 8.399 1.00 0.00 H new ATOM 259 N ILE A 15 -4.676 -3.009 7.656 1.00 0.00 N ATOM 260 CA ILE A 15 -3.387 -3.456 7.175 1.00 0.00 C ATOM 261 C ILE A 15 -2.444 -3.743 8.318 1.00 0.00 C ATOM 262 O ILE A 15 -1.558 -4.604 8.197 1.00 0.00 O ATOM 263 CB ILE A 15 -2.760 -2.419 6.209 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.554 -1.039 6.869 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.617 -2.289 4.999 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.139 -0.776 7.350 1.00 0.00 C ATOM 0 H ILE A 15 -4.773 -1.995 7.707 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.550 -4.383 6.626 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.771 -2.784 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.831 -0.264 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.234 -0.950 7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.177 -1.560 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.689 -3.255 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.613 -1.957 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.086 0.216 7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.861 -1.526 8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.452 -0.829 6.505 1.00 0.00 H new ATOM 278 N LYS A 16 -2.678 -3.056 9.443 1.00 0.00 N ATOM 279 CA LYS A 16 -1.803 -3.120 10.613 1.00 0.00 C ATOM 280 C LYS A 16 -1.581 -4.532 11.102 1.00 0.00 C ATOM 281 O LYS A 16 -0.454 -4.938 11.377 1.00 0.00 O ATOM 282 CB LYS A 16 -2.273 -2.217 11.787 1.00 0.00 C ATOM 283 CG LYS A 16 -2.059 -0.704 11.612 1.00 0.00 C ATOM 284 CD LYS A 16 -2.941 -0.100 10.539 1.00 0.00 C ATOM 285 CE LYS A 16 -2.690 1.392 10.369 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.905 2.148 11.624 1.00 0.00 N ATOM 0 H LYS A 16 -3.482 -2.440 9.565 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.849 -2.728 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.336 -2.395 11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.753 -2.534 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.255 -0.203 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.014 -0.517 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.760 -0.608 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.988 -0.265 10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.668 1.549 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.351 1.783 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.923 3.167 11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.811 1.865 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.132 1.943 12.289 1.00 0.00 H new ATOM 300 N LYS A 17 -2.644 -5.268 11.175 1.00 0.00 N ATOM 301 CA LYS A 17 -2.605 -6.628 11.673 1.00 0.00 C ATOM 302 C LYS A 17 -2.530 -7.643 10.518 1.00 0.00 C ATOM 303 O LYS A 17 -2.261 -8.833 10.733 1.00 0.00 O ATOM 304 CB LYS A 17 -3.858 -6.863 12.523 1.00 0.00 C ATOM 305 CG LYS A 17 -3.916 -8.194 13.245 1.00 0.00 C ATOM 306 CD LYS A 17 -5.191 -8.303 14.038 1.00 0.00 C ATOM 307 CE LYS A 17 -5.236 -9.569 14.856 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.465 -9.642 15.669 1.00 0.00 N ATOM 0 H LYS A 17 -3.572 -4.952 10.893 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.710 -6.770 12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.929 -6.065 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.734 -6.780 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.857 -9.009 12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.057 -8.293 13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.283 -7.440 14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.044 -8.278 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.184 -10.433 14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.364 -9.614 15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.465 -10.524 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.501 -8.829 16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.296 -9.624 15.044 1.00 0.00 H new ATOM 322 N LYS A 18 -2.704 -7.169 9.297 1.00 0.00 N ATOM 323 CA LYS A 18 -2.783 -8.063 8.155 1.00 0.00 C ATOM 324 C LYS A 18 -1.398 -8.533 7.746 1.00 0.00 C ATOM 325 O LYS A 18 -1.090 -9.715 7.821 1.00 0.00 O ATOM 326 CB LYS A 18 -3.474 -7.384 6.981 1.00 0.00 C ATOM 327 CG LYS A 18 -3.934 -8.350 5.894 1.00 0.00 C ATOM 328 CD LYS A 18 -5.017 -9.275 6.420 1.00 0.00 C ATOM 329 CE LYS A 18 -6.245 -8.491 6.870 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.243 -9.362 7.510 1.00 0.00 N ATOM 0 H LYS A 18 -2.793 -6.178 9.071 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.374 -8.931 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.337 -6.830 7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.792 -6.656 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.312 -7.790 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.087 -8.938 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.301 -9.985 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.627 -9.856 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.943 -7.710 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.694 -7.994 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.063 -8.794 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.550 -10.092 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.822 -9.817 8.345 1.00 0.00 H new ATOM 344 N PHE A 19 -0.560 -7.600 7.315 1.00 0.00 N ATOM 345 CA PHE A 19 0.830 -7.922 6.978 1.00 0.00 C ATOM 346 C PHE A 19 1.583 -7.954 8.311 1.00 0.00 C ATOM 347 O PHE A 19 2.579 -8.659 8.476 1.00 0.00 O ATOM 348 CB PHE A 19 1.395 -6.817 6.041 1.00 0.00 C ATOM 349 CG PHE A 19 2.746 -7.073 5.362 1.00 0.00 C ATOM 350 CD1 PHE A 19 3.908 -7.232 6.095 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.849 -7.060 3.980 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.133 -7.365 5.474 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.077 -7.209 3.357 1.00 0.00 C ATOM 354 CZ PHE A 19 5.224 -7.353 4.103 1.00 0.00 C ATOM 0 H PHE A 19 -0.811 -6.619 7.189 1.00 0.00 H new ATOM 0 HA PHE A 19 0.927 -8.874 6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.658 -6.632 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.481 -5.898 6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.856 -7.252 7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.960 -6.932 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.027 -7.479 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.135 -7.212 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.183 -7.455 3.617 1.00 0.00 H new ATOM 364 N LYS A 20 1.005 -7.224 9.266 1.00 0.00 N ATOM 365 CA LYS A 20 1.498 -7.057 10.615 1.00 0.00 C ATOM 366 C LYS A 20 2.790 -6.292 10.635 1.00 0.00 C ATOM 367 O LYS A 20 3.886 -6.859 10.552 1.00 0.00 O ATOM 368 CB LYS A 20 1.585 -8.367 11.410 1.00 0.00 C ATOM 369 CG LYS A 20 2.038 -8.178 12.855 1.00 0.00 C ATOM 370 CD LYS A 20 2.191 -9.503 13.582 1.00 0.00 C ATOM 371 CE LYS A 20 3.221 -10.397 12.907 1.00 0.00 C ATOM 372 NZ LYS A 20 3.429 -11.638 13.659 1.00 0.00 N ATOM 0 H LYS A 20 0.138 -6.712 9.102 1.00 0.00 H new ATOM 0 HA LYS A 20 0.750 -6.460 11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.608 -8.850 11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.277 -9.042 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.988 -7.645 12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.315 -7.556 13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.488 -9.320 14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.229 -10.015 13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.892 -10.634 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.166 -9.862 12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.137 -12.224 13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.767 -11.411 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.532 -12.160 13.723 1.00 0.00 H new ATOM 386 N LEU A 21 2.655 -5.003 10.691 1.00 0.00 N ATOM 387 CA LEU A 21 3.798 -4.148 10.729 1.00 0.00 C ATOM 388 C LEU A 21 4.016 -3.787 12.168 1.00 0.00 C ATOM 389 O LEU A 21 4.981 -4.228 12.795 1.00 0.00 O ATOM 390 CB LEU A 21 3.611 -2.876 9.854 1.00 0.00 C ATOM 391 CG LEU A 21 3.092 -3.074 8.396 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.835 -4.181 7.705 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.570 -3.300 8.305 1.00 0.00 C ATOM 0 H LEU A 21 1.758 -4.519 10.711 1.00 0.00 H new ATOM 0 HA LEU A 21 4.665 -4.662 10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.918 -2.212 10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.569 -2.359 9.803 1.00 0.00 H new ATOM 0 HG LEU A 21 3.291 -2.134 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.453 -4.298 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.897 -3.938 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.695 -5.112 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.283 -3.430 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.300 -4.193 8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.049 -2.437 8.720 1.00 0.00 H new ATOM 405 N THR A 22 3.058 -3.060 12.704 1.00 0.00 N ATOM 406 CA THR A 22 2.997 -2.658 14.101 1.00 0.00 C ATOM 407 C THR A 22 4.292 -2.021 14.617 1.00 0.00 C ATOM 408 O THR A 22 5.132 -2.685 15.239 1.00 0.00 O ATOM 409 CB THR A 22 2.489 -3.808 15.027 1.00 0.00 C ATOM 410 OG1 THR A 22 3.257 -5.009 14.808 1.00 0.00 O ATOM 411 CG2 THR A 22 1.020 -4.102 14.760 1.00 0.00 C ATOM 0 H THR A 22 2.267 -2.717 12.159 1.00 0.00 H new ATOM 0 HA THR A 22 2.251 -1.864 14.141 1.00 0.00 H new ATOM 0 HB THR A 22 2.610 -3.483 16.060 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.204 -4.778 14.704 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.685 -4.906 15.415 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.429 -3.207 14.953 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.892 -4.404 13.720 1.00 0.00 H new ATOM 419 N GLY A 23 4.461 -0.760 14.320 1.00 0.00 N ATOM 420 CA GLY A 23 5.643 -0.052 14.718 1.00 0.00 C ATOM 421 C GLY A 23 5.870 1.159 13.845 1.00 0.00 C ATOM 422 O GLY A 23 4.934 1.594 13.145 1.00 0.00 O ATOM 0 H GLY A 23 3.787 -0.200 13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.552 0.258 15.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.506 -0.715 14.657 1.00 0.00 H new ATOM 426 N PRO A 24 7.067 1.756 13.887 1.00 0.00 N ATOM 427 CA PRO A 24 7.418 2.894 13.059 1.00 0.00 C ATOM 428 C PRO A 24 7.889 2.451 11.675 1.00 0.00 C ATOM 429 O PRO A 24 9.032 1.992 11.491 1.00 0.00 O ATOM 430 CB PRO A 24 8.570 3.570 13.830 1.00 0.00 C ATOM 431 CG PRO A 24 8.791 2.722 15.050 1.00 0.00 C ATOM 432 CD PRO A 24 8.179 1.386 14.752 1.00 0.00 C ATOM 0 HA PRO A 24 6.570 3.557 12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.472 3.623 13.220 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.311 4.592 14.105 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.855 2.623 15.267 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.328 3.175 15.927 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.880 0.717 14.253 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.843 0.879 15.656 1.00 0.00 H new ATOM 440 N ILE A 25 7.015 2.557 10.726 1.00 0.00 N ATOM 441 CA ILE A 25 7.294 2.142 9.378 1.00 0.00 C ATOM 442 C ILE A 25 7.315 3.373 8.478 1.00 0.00 C ATOM 443 O ILE A 25 6.739 4.414 8.830 1.00 0.00 O ATOM 444 CB ILE A 25 6.252 1.070 8.898 1.00 0.00 C ATOM 445 CG1 ILE A 25 6.576 0.545 7.490 1.00 0.00 C ATOM 446 CG2 ILE A 25 4.822 1.606 8.974 1.00 0.00 C ATOM 447 CD1 ILE A 25 5.642 -0.538 7.002 1.00 0.00 C ATOM 0 H ILE A 25 6.078 2.937 10.860 1.00 0.00 H new ATOM 0 HA ILE A 25 8.272 1.663 9.330 1.00 0.00 H new ATOM 0 HB ILE A 25 6.326 0.225 9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.546 1.378 6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.596 0.160 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.127 0.838 8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.589 1.876 10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.729 2.486 8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.940 -0.852 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.688 -1.391 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.623 -0.153 6.972 1.00 0.00 H new ATOM 459 N GLN A 26 7.997 3.283 7.367 1.00 0.00 N ATOM 460 CA GLN A 26 8.120 4.388 6.458 1.00 0.00 C ATOM 461 C GLN A 26 8.291 3.840 5.069 1.00 0.00 C ATOM 462 O GLN A 26 8.373 2.623 4.896 1.00 0.00 O ATOM 463 CB GLN A 26 9.352 5.235 6.788 1.00 0.00 C ATOM 464 CG GLN A 26 10.675 4.517 6.511 1.00 0.00 C ATOM 465 CD GLN A 26 11.857 5.438 6.581 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.745 6.634 6.304 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.998 4.910 6.897 1.00 0.00 N ATOM 0 H GLN A 26 8.484 2.438 7.067 1.00 0.00 H new ATOM 0 HA GLN A 26 7.228 5.010 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.318 6.155 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.316 5.522 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.804 3.710 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.635 4.058 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.056 3.917 7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.838 5.488 6.922 1.00 0.00 H new ATOM 476 N VAL A 27 8.379 4.722 4.097 1.00 0.00 N ATOM 477 CA VAL A 27 8.664 4.328 2.747 1.00 0.00 C ATOM 478 C VAL A 27 10.125 3.996 2.625 1.00 0.00 C ATOM 479 O VAL A 27 11.002 4.715 3.128 1.00 0.00 O ATOM 480 CB VAL A 27 8.292 5.427 1.730 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.829 5.127 0.343 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.816 5.561 1.656 1.00 0.00 C ATOM 0 H VAL A 27 8.255 5.726 4.226 1.00 0.00 H new ATOM 0 HA VAL A 27 8.056 3.453 2.518 1.00 0.00 H new ATOM 0 HB VAL A 27 8.745 6.356 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.543 5.928 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.916 5.055 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.415 4.183 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.557 6.338 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.380 4.613 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.425 5.830 2.637 1.00 0.00 H new ATOM 492 N ILE A 28 10.373 2.915 1.999 1.00 0.00 N ATOM 493 CA ILE A 28 11.699 2.450 1.770 1.00 0.00 C ATOM 494 C ILE A 28 12.123 2.873 0.367 1.00 0.00 C ATOM 495 O ILE A 28 13.266 3.259 0.139 1.00 0.00 O ATOM 496 CB ILE A 28 11.772 0.898 1.892 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.121 0.412 3.208 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.214 0.406 1.793 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.715 1.003 4.476 1.00 0.00 C ATOM 0 H ILE A 28 9.649 2.306 1.618 1.00 0.00 H new ATOM 0 HA ILE A 28 12.365 2.881 2.518 1.00 0.00 H new ATOM 0 HB ILE A 28 11.211 0.475 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.057 0.649 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.205 -0.674 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.235 -0.680 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.633 0.700 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.805 0.847 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.192 0.602 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.772 0.745 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.607 2.087 4.457 1.00 0.00 H new ATOM 511 N HIS A 29 11.163 2.872 -0.561 1.00 0.00 N ATOM 512 CA HIS A 29 11.420 3.137 -1.992 1.00 0.00 C ATOM 513 C HIS A 29 10.113 3.337 -2.684 1.00 0.00 C ATOM 514 O HIS A 29 9.060 3.060 -2.118 1.00 0.00 O ATOM 515 CB HIS A 29 12.129 1.956 -2.723 1.00 0.00 C ATOM 516 CG HIS A 29 13.584 1.744 -2.434 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.086 0.564 -1.923 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.654 2.543 -2.643 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.395 0.655 -1.837 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.765 1.835 -2.265 1.00 0.00 N ATOM 0 H HIS A 29 10.182 2.688 -0.349 1.00 0.00 H new ATOM 0 HA HIS A 29 12.069 4.012 -2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.598 1.037 -2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.017 2.108 -3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.637 3.550 -3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.056 -0.117 -1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.726 2.174 -2.310 1.00 0.00 H new ATOM 529 N LEU A 30 10.170 3.774 -3.894 1.00 0.00 N ATOM 530 CA LEU A 30 8.994 3.924 -4.694 1.00 0.00 C ATOM 531 C LEU A 30 9.018 2.889 -5.792 1.00 0.00 C ATOM 532 O LEU A 30 9.954 2.818 -6.574 1.00 0.00 O ATOM 533 CB LEU A 30 8.830 5.352 -5.282 1.00 0.00 C ATOM 534 CG LEU A 30 8.536 6.509 -4.292 1.00 0.00 C ATOM 535 CD1 LEU A 30 9.713 6.812 -3.376 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.117 7.758 -5.045 1.00 0.00 C ATOM 0 H LEU A 30 11.036 4.040 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 30 8.129 3.772 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.743 5.598 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.022 5.323 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 30 7.715 6.179 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.451 7.630 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.956 5.925 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.577 7.098 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.914 8.560 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.918 8.063 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.217 7.549 -5.623 1.00 0.00 H new ATOM 548 N ALA A 31 8.038 2.058 -5.792 1.00 0.00 N ATOM 549 CA ALA A 31 7.906 1.023 -6.792 1.00 0.00 C ATOM 550 C ALA A 31 7.060 1.483 -7.929 1.00 0.00 C ATOM 551 O ALA A 31 6.275 2.400 -7.804 1.00 0.00 O ATOM 552 CB ALA A 31 7.326 -0.264 -6.216 1.00 0.00 C ATOM 0 H ALA A 31 7.291 2.065 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 31 8.913 0.811 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.246 -1.012 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.980 -0.637 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.337 -0.065 -5.803 1.00 0.00 H new ATOM 558 N LYS A 32 7.223 0.858 -9.023 1.00 0.00 N ATOM 559 CA LYS A 32 6.441 1.130 -10.163 1.00 0.00 C ATOM 560 C LYS A 32 5.498 -0.010 -10.333 1.00 0.00 C ATOM 561 O LYS A 32 5.914 -1.171 -10.267 1.00 0.00 O ATOM 562 CB LYS A 32 7.303 1.267 -11.410 1.00 0.00 C ATOM 563 CG LYS A 32 6.502 1.631 -12.650 1.00 0.00 C ATOM 564 CD LYS A 32 7.336 1.557 -13.911 1.00 0.00 C ATOM 565 CE LYS A 32 7.778 0.135 -14.177 1.00 0.00 C ATOM 566 NZ LYS A 32 8.503 0.006 -15.444 1.00 0.00 N ATOM 0 H LYS A 32 7.919 0.125 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 32 5.911 2.073 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.062 2.030 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.829 0.328 -11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.649 0.958 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.102 2.639 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.758 1.928 -14.757 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.209 2.202 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.415 -0.204 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.905 -0.518 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.785 -0.985 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.888 0.304 -16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.351 0.608 -15.422 1.00 0.00 H new ATOM 580 N ALA A 33 4.243 0.299 -10.451 1.00 0.00 N ATOM 581 CA ALA A 33 3.258 -0.681 -10.777 1.00 0.00 C ATOM 582 C ALA A 33 3.508 -1.135 -12.190 1.00 0.00 C ATOM 583 O ALA A 33 3.284 -0.380 -13.131 1.00 0.00 O ATOM 584 CB ALA A 33 1.886 -0.086 -10.670 1.00 0.00 C ATOM 0 H ALA A 33 3.874 1.241 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 33 3.321 -1.524 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.141 -0.841 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.720 0.264 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.798 0.753 -11.360 1.00 0.00 H new ATOM 590 N CYS A 34 4.012 -2.311 -12.330 1.00 0.00 N ATOM 591 CA CYS A 34 4.357 -2.849 -13.628 1.00 0.00 C ATOM 592 C CYS A 34 3.165 -3.468 -14.337 1.00 0.00 C ATOM 593 O CYS A 34 3.259 -3.888 -15.501 1.00 0.00 O ATOM 594 CB CYS A 34 5.481 -3.836 -13.487 1.00 0.00 C ATOM 595 SG CYS A 34 6.959 -3.103 -12.787 1.00 0.00 S ATOM 0 H CYS A 34 4.203 -2.942 -11.551 1.00 0.00 H new ATOM 0 HA CYS A 34 4.686 -2.020 -14.255 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.156 -4.663 -12.856 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.716 -4.255 -14.465 1.00 0.00 H new ATOM 0 HG CYS A 34 6.632 -2.330 -11.794 1.00 0.00 H new ATOM 601 N CYS A 35 2.052 -3.523 -13.657 1.00 0.00 N ATOM 602 CA CYS A 35 0.867 -4.087 -14.212 1.00 0.00 C ATOM 603 C CYS A 35 -0.342 -3.560 -13.455 1.00 0.00 C ATOM 604 O CYS A 35 -0.264 -3.298 -12.266 1.00 0.00 O ATOM 605 CB CYS A 35 0.928 -5.620 -14.137 1.00 0.00 C ATOM 606 SG CYS A 35 -0.373 -6.463 -15.059 1.00 0.00 S ATOM 0 H CYS A 35 1.948 -3.176 -12.703 1.00 0.00 H new ATOM 0 HA CYS A 35 0.782 -3.801 -15.260 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.896 -5.952 -14.512 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.871 -5.923 -13.092 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.231 -7.749 -14.933 1.00 0.00 H new ATOM 612 N ASP A 36 -1.403 -3.333 -14.178 1.00 0.00 N ATOM 613 CA ASP A 36 -2.681 -2.914 -13.621 1.00 0.00 C ATOM 614 C ASP A 36 -3.446 -4.071 -13.058 1.00 0.00 C ATOM 615 O ASP A 36 -3.897 -4.971 -13.789 1.00 0.00 O ATOM 616 CB ASP A 36 -3.484 -2.146 -14.662 1.00 0.00 C ATOM 617 CG ASP A 36 -4.991 -2.128 -14.466 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.492 -1.390 -13.612 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.707 -2.810 -15.236 1.00 0.00 O ATOM 0 H ASP A 36 -1.415 -3.433 -15.193 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.487 -2.241 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.128 -1.116 -14.678 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.271 -2.572 -15.642 1.00 0.00 H new ATOM 624 N VAL A 37 -3.497 -4.092 -11.773 1.00 0.00 N ATOM 625 CA VAL A 37 -4.206 -5.103 -11.036 1.00 0.00 C ATOM 626 C VAL A 37 -5.388 -4.441 -10.285 1.00 0.00 C ATOM 627 O VAL A 37 -5.405 -3.221 -10.082 1.00 0.00 O ATOM 628 CB VAL A 37 -3.272 -5.847 -10.042 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.936 -4.970 -8.889 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.856 -7.165 -9.563 1.00 0.00 C ATOM 0 H VAL A 37 -3.040 -3.396 -11.183 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.585 -5.848 -11.736 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.358 -6.089 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.281 -5.507 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.429 -4.074 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.851 -4.685 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.161 -7.641 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.803 -6.980 -9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.024 -7.821 -10.417 1.00 0.00 H new ATOM 640 N LYS A 38 -6.326 -5.222 -9.848 1.00 0.00 N ATOM 641 CA LYS A 38 -7.487 -4.707 -9.152 1.00 0.00 C ATOM 642 C LYS A 38 -7.536 -5.232 -7.710 1.00 0.00 C ATOM 643 O LYS A 38 -8.597 -5.244 -7.083 1.00 0.00 O ATOM 644 CB LYS A 38 -8.721 -5.156 -9.912 1.00 0.00 C ATOM 645 CG LYS A 38 -8.911 -6.665 -9.902 1.00 0.00 C ATOM 646 CD LYS A 38 -9.907 -7.115 -10.928 1.00 0.00 C ATOM 647 CE LYS A 38 -11.258 -6.446 -10.750 1.00 0.00 C ATOM 648 NZ LYS A 38 -12.267 -7.017 -11.657 1.00 0.00 N ATOM 0 H LYS A 38 -6.318 -6.236 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.439 -3.619 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.601 -4.682 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.651 -4.811 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.954 -7.152 -10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.242 -6.982 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.524 -6.895 -11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.028 -8.196 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.589 -6.561 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.163 -5.376 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.178 -6.537 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.962 -6.885 -12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.375 -8.033 -11.461 1.00 0.00 H new ATOM 662 N GLY A 39 -6.396 -5.621 -7.173 1.00 0.00 N ATOM 663 CA GLY A 39 -6.403 -6.180 -5.839 1.00 0.00 C ATOM 664 C GLY A 39 -6.631 -7.670 -5.871 1.00 0.00 C ATOM 665 O GLY A 39 -7.622 -8.170 -5.331 1.00 0.00 O ATOM 0 H GLY A 39 -5.482 -5.563 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.454 -5.966 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.184 -5.703 -5.247 1.00 0.00 H new ATOM 669 N GLY A 40 -5.741 -8.366 -6.526 1.00 0.00 N ATOM 670 CA GLY A 40 -5.886 -9.789 -6.711 1.00 0.00 C ATOM 671 C GLY A 40 -5.377 -10.571 -5.523 1.00 0.00 C ATOM 672 O GLY A 40 -4.204 -10.463 -5.179 1.00 0.00 O ATOM 0 H GLY A 40 -4.900 -7.968 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.936 -10.027 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.343 -10.095 -7.605 1.00 0.00 H new ATOM 676 N LYS A 41 -6.267 -11.351 -4.901 1.00 0.00 N ATOM 677 CA LYS A 41 -5.936 -12.179 -3.720 1.00 0.00 C ATOM 678 C LYS A 41 -5.532 -11.293 -2.542 1.00 0.00 C ATOM 679 O LYS A 41 -4.556 -11.585 -1.839 1.00 0.00 O ATOM 680 CB LYS A 41 -4.810 -13.237 -3.994 1.00 0.00 C ATOM 681 CG LYS A 41 -5.189 -14.553 -4.722 1.00 0.00 C ATOM 682 CD LYS A 41 -5.282 -14.482 -6.256 1.00 0.00 C ATOM 683 CE LYS A 41 -6.532 -13.801 -6.767 1.00 0.00 C ATOM 684 NZ LYS A 41 -6.620 -13.854 -8.248 1.00 0.00 N ATOM 0 H LYS A 41 -7.240 -11.431 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.842 -12.735 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.031 -12.748 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.367 -13.505 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.454 -15.313 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.150 -14.892 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.410 -13.952 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.242 -15.494 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.410 -14.279 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.540 -12.762 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.490 -13.377 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.795 -13.376 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.638 -14.846 -8.559 1.00 0.00 H new ATOM 698 N ASN A 42 -6.322 -10.243 -2.322 1.00 0.00 N ATOM 699 CA ASN A 42 -6.072 -9.227 -1.289 1.00 0.00 C ATOM 700 C ASN A 42 -4.776 -8.497 -1.595 1.00 0.00 C ATOM 701 O ASN A 42 -3.679 -8.887 -1.155 1.00 0.00 O ATOM 702 CB ASN A 42 -6.068 -9.811 0.137 1.00 0.00 C ATOM 703 CG ASN A 42 -5.974 -8.748 1.216 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.454 -7.619 1.056 1.00 0.00 O ATOM 705 ND2 ASN A 42 -5.349 -9.081 2.316 1.00 0.00 N ATOM 0 H ASN A 42 -7.169 -10.067 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.899 -8.517 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.977 -10.393 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.229 -10.499 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.247 -8.402 3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.964 -10.020 2.419 1.00 0.00 H new ATOM 712 N GLU A 43 -4.897 -7.487 -2.410 1.00 0.00 N ATOM 713 CA GLU A 43 -3.766 -6.754 -2.896 1.00 0.00 C ATOM 714 C GLU A 43 -4.177 -5.297 -3.047 1.00 0.00 C ATOM 715 O GLU A 43 -5.289 -4.932 -2.653 1.00 0.00 O ATOM 716 CB GLU A 43 -3.374 -7.387 -4.219 1.00 0.00 C ATOM 717 CG GLU A 43 -2.005 -7.063 -4.724 1.00 0.00 C ATOM 718 CD GLU A 43 -1.455 -8.229 -5.462 1.00 0.00 C ATOM 719 OE1 GLU A 43 -0.929 -9.142 -4.798 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.559 -8.289 -6.689 1.00 0.00 O ATOM 0 H GLU A 43 -5.794 -7.147 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.910 -6.785 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.455 -8.469 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.099 -7.082 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.045 -6.192 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.351 -6.806 -3.891 1.00 0.00 H new ATOM 727 N LEU A 44 -3.327 -4.472 -3.594 1.00 0.00 N ATOM 728 CA LEU A 44 -3.651 -3.082 -3.772 1.00 0.00 C ATOM 729 C LEU A 44 -4.168 -2.934 -5.180 1.00 0.00 C ATOM 730 O LEU A 44 -3.898 -3.776 -6.036 1.00 0.00 O ATOM 731 CB LEU A 44 -2.371 -2.233 -3.651 1.00 0.00 C ATOM 732 CG LEU A 44 -2.495 -0.866 -2.919 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.210 -0.146 -2.959 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.584 0.032 -3.448 1.00 0.00 C ATOM 0 H LEU A 44 -2.400 -4.739 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.377 -2.759 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.618 -2.827 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.993 -2.046 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.772 -1.114 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.312 0.809 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.442 -0.744 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.924 0.031 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.597 0.962 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.396 0.252 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.548 -0.468 -3.349 1.00 0.00 H new ATOM 746 N SER A 45 -4.943 -1.935 -5.403 1.00 0.00 N ATOM 747 CA SER A 45 -5.445 -1.682 -6.694 1.00 0.00 C ATOM 748 C SER A 45 -4.641 -0.560 -7.315 1.00 0.00 C ATOM 749 O SER A 45 -4.630 0.563 -6.805 1.00 0.00 O ATOM 750 CB SER A 45 -6.913 -1.343 -6.622 1.00 0.00 C ATOM 751 OG SER A 45 -7.591 -2.282 -5.797 1.00 0.00 O ATOM 0 H SER A 45 -5.245 -1.271 -4.690 1.00 0.00 H new ATOM 0 HA SER A 45 -5.348 -2.569 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.043 -0.337 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.345 -1.348 -7.623 1.00 0.00 H new ATOM 0 HG SER A 45 -8.543 -2.053 -5.755 1.00 0.00 H new ATOM 757 N PHE A 46 -3.958 -0.875 -8.366 1.00 0.00 N ATOM 758 CA PHE A 46 -3.101 0.051 -9.028 1.00 0.00 C ATOM 759 C PHE A 46 -3.047 -0.275 -10.477 1.00 0.00 C ATOM 760 O PHE A 46 -3.334 -1.396 -10.874 1.00 0.00 O ATOM 761 CB PHE A 46 -1.692 0.035 -8.419 1.00 0.00 C ATOM 762 CG PHE A 46 -1.094 -1.339 -8.250 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.396 -1.947 -9.276 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.211 -2.006 -7.053 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.176 -3.185 -9.110 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.649 -3.244 -6.882 1.00 0.00 C ATOM 767 CZ PHE A 46 0.049 -3.838 -7.911 1.00 0.00 C ATOM 0 H PHE A 46 -3.981 -1.800 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.504 1.055 -8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.031 0.629 -9.051 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.726 0.524 -7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.298 -1.440 -10.225 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.752 -1.549 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.724 -3.642 -9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.754 -3.756 -5.937 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.494 -4.813 -7.774 1.00 0.00 H new ATOM 777 N LYS A 47 -2.669 0.678 -11.247 1.00 0.00 N ATOM 778 CA LYS A 47 -2.611 0.527 -12.662 1.00 0.00 C ATOM 779 C LYS A 47 -1.163 0.588 -13.061 1.00 0.00 C ATOM 780 O LYS A 47 -0.349 1.135 -12.317 1.00 0.00 O ATOM 781 CB LYS A 47 -3.391 1.656 -13.333 1.00 0.00 C ATOM 782 CG LYS A 47 -4.769 1.865 -12.744 1.00 0.00 C ATOM 783 CD LYS A 47 -5.531 2.959 -13.452 1.00 0.00 C ATOM 784 CE LYS A 47 -6.876 3.194 -12.789 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.618 1.932 -12.605 1.00 0.00 N ATOM 0 H LYS A 47 -2.386 1.599 -10.912 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.052 -0.421 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.823 2.582 -13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.487 1.439 -14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.333 0.934 -12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.677 2.114 -11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.949 3.880 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.678 2.688 -14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.727 3.673 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.467 3.879 -13.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.624 2.141 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.520 1.344 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.234 1.420 -11.786 1.00 0.00 H new ATOM 799 N GLN A 48 -0.830 0.022 -14.186 1.00 0.00 N ATOM 800 CA GLN A 48 0.535 0.051 -14.666 1.00 0.00 C ATOM 801 C GLN A 48 1.001 1.503 -14.842 1.00 0.00 C ATOM 802 O GLN A 48 0.313 2.317 -15.456 1.00 0.00 O ATOM 803 CB GLN A 48 0.658 -0.704 -15.976 1.00 0.00 C ATOM 804 CG GLN A 48 2.084 -0.900 -16.439 1.00 0.00 C ATOM 805 CD GLN A 48 2.146 -1.518 -17.810 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.153 -0.817 -18.817 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.216 -2.815 -17.863 1.00 0.00 N ATOM 0 H GLN A 48 -1.484 -0.469 -14.795 1.00 0.00 H new ATOM 0 HA GLN A 48 1.172 -0.437 -13.929 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.184 -1.680 -15.867 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.107 -0.166 -16.747 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.598 0.061 -16.450 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.613 -1.536 -15.729 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.207 -3.362 -17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.280 -3.286 -18.766 1.00 0.00 H new ATOM 816 N GLY A 49 2.126 1.820 -14.245 1.00 0.00 N ATOM 817 CA GLY A 49 2.670 3.153 -14.328 1.00 0.00 C ATOM 818 C GLY A 49 2.039 4.116 -13.339 1.00 0.00 C ATOM 819 O GLY A 49 2.069 5.332 -13.540 1.00 0.00 O ATOM 0 H GLY A 49 2.684 1.168 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.745 3.112 -14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.528 3.535 -15.339 1.00 0.00 H new ATOM 823 N GLU A 50 1.440 3.584 -12.287 1.00 0.00 N ATOM 824 CA GLU A 50 0.821 4.434 -11.269 1.00 0.00 C ATOM 825 C GLU A 50 1.763 4.841 -10.182 1.00 0.00 C ATOM 826 O GLU A 50 1.538 5.856 -9.523 1.00 0.00 O ATOM 827 CB GLU A 50 -0.411 3.801 -10.668 1.00 0.00 C ATOM 828 CG GLU A 50 -1.640 3.914 -11.528 1.00 0.00 C ATOM 829 CD GLU A 50 -2.049 5.337 -11.757 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.659 5.939 -10.848 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.761 5.883 -12.834 1.00 0.00 O ATOM 0 H GLU A 50 1.366 2.582 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 50 0.527 5.338 -11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.209 2.747 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.612 4.266 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.453 3.434 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.461 3.374 -11.056 1.00 0.00 H new ATOM 838 N GLN A 51 2.790 4.047 -9.998 1.00 0.00 N ATOM 839 CA GLN A 51 3.811 4.247 -8.962 1.00 0.00 C ATOM 840 C GLN A 51 3.247 3.968 -7.558 1.00 0.00 C ATOM 841 O GLN A 51 2.172 4.444 -7.172 1.00 0.00 O ATOM 842 CB GLN A 51 4.492 5.622 -9.070 1.00 0.00 C ATOM 843 CG GLN A 51 5.597 5.858 -8.060 1.00 0.00 C ATOM 844 CD GLN A 51 6.374 7.110 -8.359 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.046 8.205 -7.884 1.00 0.00 O ATOM 846 NE2 GLN A 51 7.380 6.972 -9.165 1.00 0.00 N ATOM 0 H GLN A 51 2.956 3.220 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 51 4.599 3.514 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.905 5.731 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.736 6.398 -8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.166 5.928 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.274 5.003 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.616 6.051 -9.533 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.936 7.785 -9.431 1.00 0.00 H new ATOM 855 N ILE A 52 3.959 3.170 -6.831 1.00 0.00 N ATOM 856 CA ILE A 52 3.571 2.700 -5.533 1.00 0.00 C ATOM 857 C ILE A 52 4.721 2.995 -4.583 1.00 0.00 C ATOM 858 O ILE A 52 5.809 3.269 -5.031 1.00 0.00 O ATOM 859 CB ILE A 52 3.333 1.158 -5.591 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.447 0.818 -6.791 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.710 0.632 -4.300 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.944 -0.587 -6.802 1.00 0.00 C ATOM 0 H ILE A 52 4.864 2.811 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 52 2.655 3.188 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 52 4.301 0.670 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.595 1.497 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.010 0.997 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.560 -0.445 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.375 0.844 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.750 1.120 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.325 -0.745 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.789 -1.276 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.351 -0.768 -5.906 1.00 0.00 H new ATOM 874 N GLU A 53 4.496 2.992 -3.316 1.00 0.00 N ATOM 875 CA GLU A 53 5.589 3.158 -2.398 1.00 0.00 C ATOM 876 C GLU A 53 5.756 1.850 -1.666 1.00 0.00 C ATOM 877 O GLU A 53 4.758 1.237 -1.283 1.00 0.00 O ATOM 878 CB GLU A 53 5.297 4.250 -1.385 1.00 0.00 C ATOM 879 CG GLU A 53 4.638 5.506 -1.960 1.00 0.00 C ATOM 880 CD GLU A 53 4.177 6.473 -0.885 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.198 6.170 -0.166 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.768 7.575 -0.751 1.00 0.00 O ATOM 0 H GLU A 53 3.578 2.878 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 53 6.488 3.439 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.650 3.841 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.231 4.537 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.344 6.012 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.784 5.215 -2.571 1.00 0.00 H new ATOM 889 N ILE A 54 6.971 1.395 -1.503 1.00 0.00 N ATOM 890 CA ILE A 54 7.206 0.174 -0.772 1.00 0.00 C ATOM 891 C ILE A 54 7.509 0.541 0.672 1.00 0.00 C ATOM 892 O ILE A 54 8.390 1.370 0.942 1.00 0.00 O ATOM 893 CB ILE A 54 8.355 -0.731 -1.387 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.442 -2.065 -0.657 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.699 -0.055 -1.379 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.238 -2.936 -0.850 1.00 0.00 C ATOM 0 H ILE A 54 7.811 1.848 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 54 6.306 -0.438 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 54 8.085 -0.903 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.326 -2.601 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.578 -1.878 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.444 -0.722 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.649 0.862 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.979 0.186 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.372 -3.868 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.352 -2.420 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.113 -3.154 -1.911 1.00 0.00 H new ATOM 908 N ILE A 55 6.747 0.007 1.569 1.00 0.00 N ATOM 909 CA ILE A 55 6.927 0.297 2.975 1.00 0.00 C ATOM 910 C ILE A 55 7.426 -0.905 3.752 1.00 0.00 C ATOM 911 O ILE A 55 8.229 -0.769 4.674 1.00 0.00 O ATOM 912 CB ILE A 55 5.665 0.916 3.664 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.360 0.182 3.285 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.555 2.404 3.357 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.759 0.606 1.958 1.00 0.00 C ATOM 0 H ILE A 55 5.985 -0.639 1.363 1.00 0.00 H new ATOM 0 HA ILE A 55 7.700 1.065 2.999 1.00 0.00 H new ATOM 0 HB ILE A 55 5.799 0.787 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.557 -0.890 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.624 0.348 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.671 2.812 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.443 2.918 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.473 2.548 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.846 0.039 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.525 1.670 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.473 0.414 1.157 1.00 0.00 H new ATOM 927 N ARG A 56 6.973 -2.083 3.391 1.00 0.00 N ATOM 928 CA ARG A 56 7.437 -3.258 4.080 1.00 0.00 C ATOM 929 C ARG A 56 7.773 -4.363 3.092 1.00 0.00 C ATOM 930 O ARG A 56 6.981 -4.677 2.194 1.00 0.00 O ATOM 931 CB ARG A 56 6.413 -3.776 5.081 1.00 0.00 C ATOM 932 CG ARG A 56 6.981 -4.826 6.029 1.00 0.00 C ATOM 933 CD ARG A 56 7.489 -4.247 7.338 1.00 0.00 C ATOM 934 NE ARG A 56 8.510 -3.215 7.188 1.00 0.00 N ATOM 935 CZ ARG A 56 8.920 -2.430 8.180 1.00 0.00 C ATOM 936 NH1 ARG A 56 8.512 -2.667 9.428 1.00 0.00 N ATOM 937 NH2 ARG A 56 9.777 -1.446 7.930 1.00 0.00 N ATOM 0 H ARG A 56 6.300 -2.249 2.643 1.00 0.00 H new ATOM 0 HA ARG A 56 8.334 -2.967 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.028 -2.939 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.568 -4.203 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.210 -5.566 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.797 -5.350 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.645 -3.829 7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.895 -5.056 7.945 1.00 0.00 H new ATOM 0 HE ARG A 56 8.934 -3.089 6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.886 -3.449 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.826 -2.066 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.118 -1.295 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.094 -0.841 8.688 1.00 0.00 H new ATOM 951 N ILE A 57 8.944 -4.914 3.260 1.00 0.00 N ATOM 952 CA ILE A 57 9.458 -6.026 2.466 1.00 0.00 C ATOM 953 C ILE A 57 10.000 -7.105 3.386 1.00 0.00 C ATOM 954 O ILE A 57 10.542 -8.108 2.935 1.00 0.00 O ATOM 955 CB ILE A 57 10.613 -5.615 1.460 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.665 -4.668 2.084 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.068 -5.025 0.183 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.167 -3.247 2.276 1.00 0.00 C ATOM 0 H ILE A 57 9.599 -4.599 3.976 1.00 0.00 H new ATOM 0 HA ILE A 57 8.615 -6.382 1.873 1.00 0.00 H new ATOM 0 HB ILE A 57 11.126 -6.547 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.975 -5.069 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.549 -4.651 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.894 -4.758 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.430 -5.757 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.485 -4.133 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.958 -2.641 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.884 -2.827 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.301 -3.251 2.938 1.00 0.00 H new ATOM 970 N THR A 58 9.861 -6.886 4.668 1.00 0.00 N ATOM 971 CA THR A 58 10.398 -7.777 5.655 1.00 0.00 C ATOM 972 C THR A 58 9.292 -8.400 6.517 1.00 0.00 C ATOM 973 O THR A 58 8.195 -7.838 6.623 1.00 0.00 O ATOM 974 CB THR A 58 11.414 -7.016 6.530 1.00 0.00 C ATOM 975 OG1 THR A 58 10.835 -5.760 6.956 1.00 0.00 O ATOM 976 CG2 THR A 58 12.689 -6.739 5.747 1.00 0.00 C ATOM 0 H THR A 58 9.370 -6.080 5.055 1.00 0.00 H new ATOM 0 HA THR A 58 10.903 -8.597 5.145 1.00 0.00 H new ATOM 0 HB THR A 58 11.658 -7.629 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.479 -5.276 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.395 -6.201 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.133 -7.682 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.454 -6.135 4.871 1.00 0.00 H new ATOM 984 N ASP A 59 9.581 -9.593 7.070 1.00 0.00 N ATOM 985 CA ASP A 59 8.682 -10.350 7.989 1.00 0.00 C ATOM 986 C ASP A 59 7.391 -10.787 7.275 1.00 0.00 C ATOM 987 O ASP A 59 6.400 -11.175 7.889 1.00 0.00 O ATOM 988 CB ASP A 59 8.385 -9.518 9.267 1.00 0.00 C ATOM 989 CG ASP A 59 7.728 -10.313 10.388 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.350 -11.271 10.899 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.591 -9.998 10.794 1.00 0.00 O ATOM 0 H ASP A 59 10.462 -10.075 6.893 1.00 0.00 H new ATOM 0 HA ASP A 59 9.195 -11.261 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.319 -9.093 9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.738 -8.682 9.001 1.00 0.00 H new ATOM 996 N ASN A 60 7.459 -10.784 5.966 1.00 0.00 N ATOM 997 CA ASN A 60 6.341 -11.109 5.102 1.00 0.00 C ATOM 998 C ASN A 60 6.090 -12.628 5.017 1.00 0.00 C ATOM 999 O ASN A 60 6.895 -13.382 4.453 1.00 0.00 O ATOM 1000 CB ASN A 60 6.519 -10.462 3.708 1.00 0.00 C ATOM 1001 CG ASN A 60 7.797 -10.840 2.952 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.835 -11.167 3.544 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.743 -10.735 1.653 1.00 0.00 N ATOM 0 H ASN A 60 8.311 -10.551 5.456 1.00 0.00 H new ATOM 0 HA ASN A 60 5.443 -10.683 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.662 -10.733 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.497 -9.379 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.573 -10.925 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.871 -10.463 1.199 1.00 0.00 H new ATOM 1010 N PRO A 61 4.952 -13.080 5.590 1.00 0.00 N ATOM 1011 CA PRO A 61 4.592 -14.503 5.682 1.00 0.00 C ATOM 1012 C PRO A 61 4.317 -15.139 4.327 1.00 0.00 C ATOM 1013 O PRO A 61 4.987 -16.097 3.944 1.00 0.00 O ATOM 1014 CB PRO A 61 3.315 -14.502 6.536 1.00 0.00 C ATOM 1015 CG PRO A 61 3.281 -13.162 7.175 1.00 0.00 C ATOM 1016 CD PRO A 61 3.922 -12.235 6.206 1.00 0.00 C ATOM 0 HA PRO A 61 5.408 -15.089 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.430 -14.669 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.339 -15.295 7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.257 -12.857 7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.817 -13.168 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.210 -11.862 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.354 -11.365 6.701 1.00 0.00 H new ATOM 1024 N GLU A 62 3.349 -14.591 3.597 1.00 0.00 N ATOM 1025 CA GLU A 62 2.988 -15.106 2.288 1.00 0.00 C ATOM 1026 C GLU A 62 4.123 -14.898 1.296 1.00 0.00 C ATOM 1027 O GLU A 62 4.326 -15.704 0.386 1.00 0.00 O ATOM 1028 CB GLU A 62 1.648 -14.489 1.815 1.00 0.00 C ATOM 1029 CG GLU A 62 1.247 -14.802 0.374 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.222 -14.583 0.112 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.717 -13.446 0.248 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.934 -15.554 -0.213 1.00 0.00 O ATOM 0 H GLU A 62 2.800 -13.785 3.896 1.00 0.00 H new ATOM 0 HA GLU A 62 2.831 -16.183 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.855 -14.837 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.707 -13.407 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.829 -14.177 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.500 -15.838 0.149 1.00 0.00 H new ATOM 1039 N GLY A 63 4.880 -13.849 1.500 1.00 0.00 N ATOM 1040 CA GLY A 63 6.007 -13.587 0.647 1.00 0.00 C ATOM 1041 C GLY A 63 5.737 -12.440 -0.274 1.00 0.00 C ATOM 1042 O GLY A 63 6.484 -12.191 -1.209 1.00 0.00 O ATOM 0 H GLY A 63 4.736 -13.168 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.884 -13.368 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.239 -14.478 0.063 1.00 0.00 H new ATOM 1046 N LYS A 64 4.684 -11.731 0.000 1.00 0.00 N ATOM 1047 CA LYS A 64 4.316 -10.610 -0.783 1.00 0.00 C ATOM 1048 C LYS A 64 4.734 -9.342 -0.043 1.00 0.00 C ATOM 1049 O LYS A 64 5.004 -9.390 1.158 1.00 0.00 O ATOM 1050 CB LYS A 64 2.815 -10.648 -1.103 1.00 0.00 C ATOM 1051 CG LYS A 64 1.845 -10.308 0.017 1.00 0.00 C ATOM 1052 CD LYS A 64 0.386 -10.622 -0.400 1.00 0.00 C ATOM 1053 CE LYS A 64 0.124 -10.242 -1.859 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.305 -10.304 -2.268 1.00 0.00 N ATOM 0 H LYS A 64 4.057 -11.923 0.781 1.00 0.00 H new ATOM 0 HA LYS A 64 4.830 -10.627 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.630 -9.959 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.574 -11.648 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.102 -10.876 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.935 -9.252 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.187 -11.684 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.303 -10.080 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.494 -9.231 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.702 -10.905 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.406 -9.936 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.632 -11.291 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.878 -9.729 -1.617 1.00 0.00 H new ATOM 1068 N TRP A 65 4.806 -8.257 -0.743 1.00 0.00 N ATOM 1069 CA TRP A 65 5.279 -6.992 -0.206 1.00 0.00 C ATOM 1070 C TRP A 65 4.118 -6.138 0.240 1.00 0.00 C ATOM 1071 O TRP A 65 2.972 -6.510 0.075 1.00 0.00 O ATOM 1072 CB TRP A 65 6.068 -6.215 -1.260 1.00 0.00 C ATOM 1073 CG TRP A 65 7.398 -6.784 -1.616 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.173 -7.613 -0.857 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.136 -6.530 -2.821 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.339 -7.896 -1.520 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.342 -7.245 -2.728 1.00 0.00 C ATOM 1078 CE3 TRP A 65 7.888 -5.775 -3.972 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.294 -7.225 -3.738 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 8.838 -5.757 -4.972 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.026 -6.478 -4.850 1.00 0.00 C ATOM 0 H TRP A 65 4.536 -8.209 -1.725 1.00 0.00 H new ATOM 0 HA TRP A 65 5.923 -7.219 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.465 -6.152 -2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.213 -5.196 -0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.907 -7.990 0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.086 -8.496 -1.171 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.970 -5.216 -4.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.215 -7.781 -3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.659 -5.175 -5.864 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.749 -6.445 -5.652 1.00 0.00 H new ATOM 1092 N LEU A 66 4.416 -5.004 0.815 1.00 0.00 N ATOM 1093 CA LEU A 66 3.402 -4.064 1.206 1.00 0.00 C ATOM 1094 C LEU A 66 3.626 -2.770 0.465 1.00 0.00 C ATOM 1095 O LEU A 66 4.650 -2.099 0.683 1.00 0.00 O ATOM 1096 CB LEU A 66 3.447 -3.813 2.717 1.00 0.00 C ATOM 1097 CG LEU A 66 2.397 -2.851 3.274 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.000 -3.381 3.044 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.631 -2.603 4.743 1.00 0.00 C ATOM 0 H LEU A 66 5.369 -4.706 1.025 1.00 0.00 H new ATOM 0 HA LEU A 66 2.422 -4.472 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.339 -4.770 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.434 -3.427 2.971 1.00 0.00 H new ATOM 0 HG LEU A 66 2.493 -1.904 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.273 -2.678 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.829 -3.504 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.890 -4.344 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.874 -1.916 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.569 -3.546 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.620 -2.167 4.885 1.00 0.00 H new ATOM 1111 N GLY A 67 2.709 -2.430 -0.403 1.00 0.00 N ATOM 1112 CA GLY A 67 2.827 -1.217 -1.153 1.00 0.00 C ATOM 1113 C GLY A 67 1.698 -0.283 -0.824 1.00 0.00 C ATOM 1114 O GLY A 67 0.663 -0.725 -0.353 1.00 0.00 O ATOM 0 H GLY A 67 1.874 -2.979 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.780 -0.737 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.823 -1.440 -2.220 1.00 0.00 H new ATOM 1118 N ARG A 68 1.888 0.989 -1.051 1.00 0.00 N ATOM 1119 CA ARG A 68 0.869 1.983 -0.751 1.00 0.00 C ATOM 1120 C ARG A 68 0.716 2.990 -1.885 1.00 0.00 C ATOM 1121 O ARG A 68 1.639 3.218 -2.678 1.00 0.00 O ATOM 1122 CB ARG A 68 1.213 2.702 0.574 1.00 0.00 C ATOM 1123 CG ARG A 68 0.278 3.833 1.009 1.00 0.00 C ATOM 1124 CD ARG A 68 0.915 4.641 2.109 1.00 0.00 C ATOM 1125 NE ARG A 68 0.090 5.778 2.519 1.00 0.00 N ATOM 1126 CZ ARG A 68 0.231 7.030 2.059 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.113 7.304 1.101 1.00 0.00 N ATOM 1128 NH2 ARG A 68 -0.515 8.005 2.561 1.00 0.00 N ATOM 0 H ARG A 68 2.746 1.373 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.086 1.469 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.237 1.956 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.221 3.109 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.054 4.477 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.669 3.419 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.095 3.998 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.887 5.004 1.773 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.646 5.606 3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.689 6.559 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.213 8.259 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.194 7.802 3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.410 8.958 2.213 1.00 0.00 H new ATOM 1142 N THR A 69 -0.460 3.540 -1.970 1.00 0.00 N ATOM 1143 CA THR A 69 -0.775 4.605 -2.898 1.00 0.00 C ATOM 1144 C THR A 69 -0.861 5.882 -2.066 1.00 0.00 C ATOM 1145 O THR A 69 -1.138 5.779 -0.881 1.00 0.00 O ATOM 1146 CB THR A 69 -2.137 4.320 -3.585 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.104 3.009 -4.172 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.429 5.332 -4.679 1.00 0.00 C ATOM 0 H THR A 69 -1.249 3.260 -1.387 1.00 0.00 H new ATOM 0 HA THR A 69 -0.021 4.692 -3.680 1.00 0.00 H new ATOM 0 HB THR A 69 -2.918 4.389 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.963 2.823 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.390 5.103 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.462 6.333 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.645 5.287 -5.435 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.623 7.058 -2.668 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.632 8.360 -1.953 1.00 0.00 C ATOM 1158 C ALA A 70 -1.883 8.558 -1.079 1.00 0.00 C ATOM 1159 O ALA A 70 -1.816 9.183 -0.024 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.480 9.508 -2.938 1.00 0.00 C ATOM 0 H ALA A 70 -0.418 7.141 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 70 0.222 8.351 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.489 10.455 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.463 9.405 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.306 9.489 -3.649 1.00 0.00 H new ATOM 1166 N ARG A 71 -3.006 8.026 -1.542 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.279 8.006 -0.799 1.00 0.00 C ATOM 1168 C ARG A 71 -4.086 7.377 0.592 1.00 0.00 C ATOM 1169 O ARG A 71 -4.568 7.874 1.609 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.266 7.119 -1.559 1.00 0.00 C ATOM 1171 CG ARG A 71 -6.623 6.977 -0.900 1.00 0.00 C ATOM 1172 CD ARG A 71 -7.378 5.797 -1.476 1.00 0.00 C ATOM 1173 NE ARG A 71 -8.744 5.737 -0.969 1.00 0.00 N ATOM 1174 CZ ARG A 71 -9.620 4.746 -1.140 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -9.333 3.695 -1.896 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -10.805 4.838 -0.565 1.00 0.00 N ATOM 0 H ARG A 71 -3.069 7.586 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.640 9.030 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.404 7.527 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.828 6.128 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.499 6.846 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.200 7.890 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.395 5.871 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.856 4.873 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.064 6.539 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.427 3.633 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.018 2.948 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.037 5.656 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.489 4.091 -0.684 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.347 6.309 0.602 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.170 5.518 1.760 1.00 0.00 C ATOM 1192 C GLY A 72 -3.991 4.286 1.669 1.00 0.00 C ATOM 1193 O GLY A 72 -5.108 4.200 2.161 1.00 0.00 O ATOM 0 H GLY A 72 -2.844 5.965 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.118 5.255 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.453 6.088 2.645 1.00 0.00 H new ATOM 1197 N SER A 73 -3.445 3.356 1.010 1.00 0.00 N ATOM 1198 CA SER A 73 -3.989 2.117 0.759 1.00 0.00 C ATOM 1199 C SER A 73 -2.800 1.290 0.634 1.00 0.00 C ATOM 1200 O SER A 73 -1.911 1.606 -0.130 1.00 0.00 O ATOM 1201 CB SER A 73 -4.777 2.095 -0.527 1.00 0.00 C ATOM 1202 OG SER A 73 -5.838 3.042 -0.494 1.00 0.00 O ATOM 0 H SER A 73 -2.518 3.463 0.598 1.00 0.00 H new ATOM 0 HA SER A 73 -4.691 1.795 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.116 2.314 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.182 1.096 -0.692 1.00 0.00 H new ATOM 0 HG SER A 73 -6.580 2.722 -1.048 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.763 0.344 1.397 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.665 -0.509 1.551 1.00 0.00 C ATOM 1210 C TYR A 74 -2.076 -1.833 1.065 1.00 0.00 C ATOM 1211 O TYR A 74 -2.703 -2.612 1.783 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.331 -0.628 2.998 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.610 0.510 3.678 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.290 1.609 4.170 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.753 0.449 3.880 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.622 2.614 4.846 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.425 1.452 4.545 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.735 2.526 5.025 1.00 0.00 C ATOM 1219 OH TYR A 74 1.405 3.522 5.702 1.00 0.00 O ATOM 0 H TYR A 74 -3.549 0.094 1.997 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.802 -0.127 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.263 -0.797 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.723 -1.524 3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.358 1.684 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.305 -0.402 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.166 3.464 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.494 1.388 4.685 1.00 0.00 H new ATOM 0 HH TYR A 74 2.360 3.305 5.742 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.824 -2.065 -0.134 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.164 -3.267 -0.668 1.00 0.00 C ATOM 1231 C GLY A 75 -0.985 -4.086 -0.756 1.00 0.00 C ATOM 1232 O GLY A 75 -0.071 -3.796 -1.526 1.00 0.00 O ATOM 0 H GLY A 75 -1.370 -1.413 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.917 -3.755 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.603 -3.130 -1.656 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.928 -4.970 0.152 1.00 0.00 N ATOM 1237 CA TYR A 76 0.034 -6.039 0.182 1.00 0.00 C ATOM 1238 C TYR A 76 0.071 -6.694 -1.215 1.00 0.00 C ATOM 1239 O TYR A 76 -0.826 -7.435 -1.595 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.357 -7.071 1.276 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.495 -6.591 2.175 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.808 -6.697 1.748 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.262 -6.011 3.424 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.848 -6.248 2.508 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.319 -5.561 4.196 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.614 -5.685 3.722 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.681 -5.252 4.478 1.00 0.00 O ATOM 0 H TYR A 76 -1.572 -4.988 0.942 1.00 0.00 H new ATOM 0 HA TYR A 76 1.025 -5.657 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.650 -8.005 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.517 -7.288 1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.014 -7.147 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.251 -5.913 3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.860 -6.340 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.135 -5.116 5.163 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.467 -5.804 4.281 1.00 0.00 H new ATOM 1257 N ILE A 77 1.048 -6.277 -1.979 1.00 0.00 N ATOM 1258 CA ILE A 77 1.294 -6.674 -3.327 1.00 0.00 C ATOM 1259 C ILE A 77 2.066 -7.897 -3.454 1.00 0.00 C ATOM 1260 O ILE A 77 3.000 -8.139 -2.712 1.00 0.00 O ATOM 1261 CB ILE A 77 2.161 -5.646 -4.036 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.211 -5.054 -3.079 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.341 -4.587 -4.672 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.115 -4.041 -3.705 1.00 0.00 C ATOM 0 H ILE A 77 1.737 -5.603 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 77 0.295 -6.794 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 77 2.696 -6.159 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.697 -4.593 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.818 -5.866 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.995 -3.870 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.671 -5.036 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.754 -4.075 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.823 -3.676 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.660 -4.500 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.522 -3.207 -4.081 1.00 0.00 H new ATOM 1276 N LYS A 78 1.731 -8.649 -4.416 1.00 0.00 N ATOM 1277 CA LYS A 78 2.578 -9.654 -4.810 1.00 0.00 C ATOM 1278 C LYS A 78 3.659 -8.951 -5.622 1.00 0.00 C ATOM 1279 O LYS A 78 3.402 -8.221 -6.574 1.00 0.00 O ATOM 1280 CB LYS A 78 1.888 -10.755 -5.604 1.00 0.00 C ATOM 1281 CG LYS A 78 1.240 -10.272 -6.847 1.00 0.00 C ATOM 1282 CD LYS A 78 0.754 -11.417 -7.704 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.212 -10.945 -8.765 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.463 -10.465 -8.154 1.00 0.00 N ATOM 0 H LYS A 78 0.861 -8.575 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 78 2.984 -10.183 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.620 -11.521 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.137 -11.230 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.400 -9.626 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.947 -9.667 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.606 -11.905 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.269 -12.163 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.244 -10.145 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.428 -11.760 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.232 -10.515 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.700 -11.061 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.342 -9.480 -7.842 1.00 0.00 H new ATOM 1298 N THR A 79 4.777 -9.087 -5.112 1.00 0.00 N ATOM 1299 CA THR A 79 6.073 -8.583 -5.572 1.00 0.00 C ATOM 1300 C THR A 79 6.219 -8.566 -7.108 1.00 0.00 C ATOM 1301 O THR A 79 6.746 -7.632 -7.666 1.00 0.00 O ATOM 1302 CB THR A 79 7.170 -9.520 -4.989 1.00 0.00 C ATOM 1303 OG1 THR A 79 7.040 -10.828 -5.572 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.982 -9.696 -3.497 1.00 0.00 C ATOM 0 H THR A 79 4.881 -9.615 -4.246 1.00 0.00 H new ATOM 0 HA THR A 79 6.167 -7.551 -5.234 1.00 0.00 H new ATOM 0 HB THR A 79 8.140 -9.073 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.731 -11.419 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.759 -10.354 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.049 -8.726 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.003 -10.135 -3.303 1.00 0.00 H new ATOM 1312 N THR A 80 5.696 -9.577 -7.752 1.00 0.00 N ATOM 1313 CA THR A 80 5.746 -9.723 -9.193 1.00 0.00 C ATOM 1314 C THR A 80 4.903 -8.640 -9.938 1.00 0.00 C ATOM 1315 O THR A 80 5.078 -8.424 -11.148 1.00 0.00 O ATOM 1316 CB THR A 80 5.294 -11.165 -9.587 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.230 -11.335 -11.000 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.949 -11.506 -8.970 1.00 0.00 C ATOM 0 H THR A 80 5.211 -10.342 -7.283 1.00 0.00 H new ATOM 0 HA THR A 80 6.778 -9.569 -9.509 1.00 0.00 H new ATOM 0 HB THR A 80 6.049 -11.847 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.945 -12.250 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.660 -12.516 -9.262 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.022 -11.449 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.198 -10.798 -9.321 1.00 0.00 H new ATOM 1326 N ALA A 81 4.019 -7.946 -9.228 1.00 0.00 N ATOM 1327 CA ALA A 81 3.177 -6.950 -9.851 1.00 0.00 C ATOM 1328 C ALA A 81 3.893 -5.611 -9.940 1.00 0.00 C ATOM 1329 O ALA A 81 3.469 -4.706 -10.680 1.00 0.00 O ATOM 1330 CB ALA A 81 1.872 -6.813 -9.083 1.00 0.00 C ATOM 0 H ALA A 81 3.873 -8.060 -8.225 1.00 0.00 H new ATOM 0 HA ALA A 81 2.951 -7.276 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.246 -6.060 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.350 -7.770 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.083 -6.511 -8.057 1.00 0.00 H new ATOM 1336 N VAL A 82 4.987 -5.479 -9.216 1.00 0.00 N ATOM 1337 CA VAL A 82 5.710 -4.231 -9.198 1.00 0.00 C ATOM 1338 C VAL A 82 7.186 -4.454 -9.283 1.00 0.00 C ATOM 1339 O VAL A 82 7.674 -5.580 -9.233 1.00 0.00 O ATOM 1340 CB VAL A 82 5.444 -3.393 -7.913 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.012 -2.935 -7.825 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.823 -4.175 -6.668 1.00 0.00 C ATOM 0 H VAL A 82 5.389 -6.217 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 82 5.347 -3.683 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 82 6.073 -2.505 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.871 -2.354 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.774 -2.316 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.353 -3.803 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.628 -3.568 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.231 -5.089 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.882 -4.430 -6.707 1.00 0.00 H new ATOM 1352 N GLU A 83 7.877 -3.380 -9.433 1.00 0.00 N ATOM 1353 CA GLU A 83 9.310 -3.357 -9.360 1.00 0.00 C ATOM 1354 C GLU A 83 9.667 -2.134 -8.600 1.00 0.00 C ATOM 1355 O GLU A 83 9.238 -1.044 -8.975 1.00 0.00 O ATOM 1356 CB GLU A 83 9.916 -3.300 -10.749 1.00 0.00 C ATOM 1357 CG GLU A 83 9.727 -4.568 -11.559 1.00 0.00 C ATOM 1358 CD GLU A 83 10.128 -4.388 -12.988 1.00 0.00 C ATOM 1359 OE1 GLU A 83 11.232 -3.883 -13.256 1.00 0.00 O ATOM 1360 OE2 GLU A 83 9.327 -4.739 -13.888 1.00 0.00 O ATOM 0 H GLU A 83 7.460 -2.467 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 83 9.691 -4.257 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.474 -2.465 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.983 -3.094 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.316 -5.371 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.682 -4.875 -11.512 1.00 0.00 H new ATOM 1367 N ILE A 84 10.390 -2.275 -7.514 1.00 0.00 N ATOM 1368 CA ILE A 84 10.720 -1.106 -6.731 1.00 0.00 C ATOM 1369 C ILE A 84 11.839 -0.320 -7.376 1.00 0.00 C ATOM 1370 O ILE A 84 12.436 -0.769 -8.361 1.00 0.00 O ATOM 1371 CB ILE A 84 11.115 -1.414 -5.263 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.443 -2.159 -5.197 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.016 -2.214 -4.571 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.045 -2.169 -3.824 1.00 0.00 C ATOM 0 H ILE A 84 10.753 -3.160 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 84 9.801 -0.521 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 84 11.236 -0.465 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.293 -3.186 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.146 -1.699 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.310 -2.421 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.090 -1.639 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.862 -3.154 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.988 -2.715 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.225 -1.145 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.360 -2.655 -3.130 1.00 0.00 H new ATOM 1386 N ASP A 85 12.101 0.843 -6.857 1.00 0.00 N ATOM 1387 CA ASP A 85 13.238 1.615 -7.299 1.00 0.00 C ATOM 1388 C ASP A 85 14.462 1.046 -6.635 1.00 0.00 C ATOM 1389 O ASP A 85 14.658 1.195 -5.429 1.00 0.00 O ATOM 1390 CB ASP A 85 13.079 3.090 -6.942 1.00 0.00 C ATOM 1391 CG ASP A 85 14.220 3.947 -7.438 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.213 4.329 -8.628 1.00 0.00 O ATOM 1393 OD2 ASP A 85 15.144 4.273 -6.658 1.00 0.00 O ATOM 0 H ASP A 85 11.545 1.284 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 85 13.324 1.556 -8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.145 3.461 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.002 3.189 -5.859 1.00 0.00 H new ATOM 1398 N TYR A 86 15.225 0.311 -7.384 1.00 0.00 N ATOM 1399 CA TYR A 86 16.416 -0.297 -6.860 1.00 0.00 C ATOM 1400 C TYR A 86 17.548 0.684 -6.899 1.00 0.00 C ATOM 1401 O TYR A 86 18.227 0.859 -7.924 1.00 0.00 O ATOM 1402 CB TYR A 86 16.784 -1.573 -7.597 1.00 0.00 C ATOM 1403 CG TYR A 86 15.774 -2.700 -7.467 1.00 0.00 C ATOM 1404 CD1 TYR A 86 14.728 -2.829 -8.360 1.00 0.00 C ATOM 1405 CD2 TYR A 86 15.872 -3.633 -6.445 1.00 0.00 C ATOM 1406 CE1 TYR A 86 13.807 -3.837 -8.251 1.00 0.00 C ATOM 1407 CE2 TYR A 86 14.949 -4.659 -6.326 1.00 0.00 C ATOM 1408 CZ TYR A 86 13.918 -4.749 -7.238 1.00 0.00 C ATOM 1409 OH TYR A 86 12.986 -5.750 -7.128 1.00 0.00 O ATOM 0 H TYR A 86 15.045 0.115 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 86 16.217 -0.578 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.913 -1.340 -8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.748 -1.924 -7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.634 -2.116 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.680 -3.558 -5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.997 -3.911 -8.962 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.036 -5.381 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 86 13.204 -6.317 -6.359 1.00 0.00 H new ATOM 1419 N ASP A 87 17.687 1.379 -5.822 1.00 0.00 N ATOM 1420 CA ASP A 87 18.735 2.357 -5.672 1.00 0.00 C ATOM 1421 C ASP A 87 20.008 1.686 -5.250 1.00 0.00 C ATOM 1422 O ASP A 87 20.220 1.386 -4.061 1.00 0.00 O ATOM 1423 CB ASP A 87 18.371 3.465 -4.688 1.00 0.00 C ATOM 1424 CG ASP A 87 19.468 4.514 -4.567 1.00 0.00 C ATOM 1425 OD1 ASP A 87 19.518 5.437 -5.406 1.00 0.00 O ATOM 1426 OD2 ASP A 87 20.298 4.441 -3.633 1.00 0.00 O ATOM 0 H ASP A 87 17.077 1.291 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 87 18.873 2.830 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.447 3.945 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 87 18.179 3.029 -3.708 1.00 0.00 H new ATOM 1431 N SER A 88 20.769 1.352 -6.239 1.00 0.00 N ATOM 1432 CA SER A 88 22.063 0.771 -6.130 1.00 0.00 C ATOM 1433 C SER A 88 22.532 0.638 -7.552 1.00 0.00 C ATOM 1434 O SER A 88 21.729 0.318 -8.436 1.00 0.00 O ATOM 1435 CB SER A 88 22.001 -0.609 -5.446 1.00 0.00 C ATOM 1436 OG SER A 88 23.298 -1.111 -5.150 1.00 0.00 O ATOM 0 H SER A 88 20.483 1.488 -7.209 1.00 0.00 H new ATOM 0 HA SER A 88 22.734 1.376 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.422 -0.533 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.478 -1.313 -6.094 1.00 0.00 H new ATOM 0 HG SER A 88 23.601 -1.686 -5.883 1.00 0.00 H new ATOM 1442 N LEU A 89 23.762 0.927 -7.809 1.00 0.00 N ATOM 1443 CA LEU A 89 24.250 0.892 -9.162 1.00 0.00 C ATOM 1444 C LEU A 89 25.289 -0.187 -9.325 1.00 0.00 C ATOM 1445 O LEU A 89 25.885 -0.337 -10.385 1.00 0.00 O ATOM 1446 CB LEU A 89 24.816 2.256 -9.547 1.00 0.00 C ATOM 1447 CG LEU A 89 23.833 3.425 -9.501 1.00 0.00 C ATOM 1448 CD1 LEU A 89 24.535 4.719 -9.837 1.00 0.00 C ATOM 1449 CD2 LEU A 89 22.673 3.194 -10.451 1.00 0.00 C ATOM 0 H LEU A 89 24.454 1.191 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 89 23.420 0.660 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.650 2.482 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.222 2.187 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 89 23.437 3.495 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 89 23.820 5.541 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 89 25.332 4.898 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 89 24.960 4.653 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 89 21.987 4.040 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 89 23.051 3.094 -11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.147 2.282 -10.168 1.00 0.00 H new ATOM 1461 N LYS A 90 25.473 -0.965 -8.299 1.00 0.00 N ATOM 1462 CA LYS A 90 26.450 -2.018 -8.312 1.00 0.00 C ATOM 1463 C LYS A 90 25.929 -3.187 -7.507 1.00 0.00 C ATOM 1464 O LYS A 90 25.341 -2.985 -6.430 1.00 0.00 O ATOM 1465 CB LYS A 90 27.770 -1.512 -7.707 1.00 0.00 C ATOM 1466 CG LYS A 90 28.901 -2.537 -7.702 1.00 0.00 C ATOM 1467 CD LYS A 90 30.139 -2.004 -6.994 1.00 0.00 C ATOM 1468 CE LYS A 90 30.723 -0.786 -7.692 1.00 0.00 C ATOM 1469 NZ LYS A 90 31.883 -0.248 -6.959 1.00 0.00 N ATOM 0 H LYS A 90 24.950 -0.888 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 90 26.633 -2.335 -9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 90 28.096 -0.633 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 90 27.585 -1.190 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 90 28.564 -3.449 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 90 29.155 -2.804 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 90 29.884 -1.744 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 90 30.894 -2.789 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 90 31.024 -1.055 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 90 29.958 -0.015 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 32.257 0.582 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 31.589 0.031 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 32.622 -0.977 -6.896 1.00 0.00 H new ATOM 1483 N LEU A 91 26.099 -4.384 -8.034 1.00 0.00 N ATOM 1484 CA LEU A 91 25.721 -5.599 -7.334 1.00 0.00 C ATOM 1485 C LEU A 91 26.588 -5.717 -6.081 1.00 0.00 C ATOM 1486 O LEU A 91 27.807 -5.512 -6.154 1.00 0.00 O ATOM 1487 CB LEU A 91 25.936 -6.817 -8.251 1.00 0.00 C ATOM 1488 CG LEU A 91 25.521 -8.183 -7.690 1.00 0.00 C ATOM 1489 CD1 LEU A 91 24.025 -8.233 -7.427 1.00 0.00 C ATOM 1490 CD2 LEU A 91 25.932 -9.293 -8.644 1.00 0.00 C ATOM 0 H LEU A 91 26.502 -4.543 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 91 24.668 -5.565 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 91 25.386 -6.648 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 91 26.993 -6.863 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 91 26.035 -8.331 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 23.758 -9.212 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 91 23.757 -7.463 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 91 23.486 -8.060 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 91 25.631 -10.256 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 91 25.446 -9.142 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 91 27.014 -9.277 -8.776 1.00 0.00 H new ATOM 1502 N LYS A 92 25.974 -6.007 -4.950 1.00 0.00 N ATOM 1503 CA LYS A 92 26.687 -6.072 -3.692 1.00 0.00 C ATOM 1504 C LYS A 92 27.598 -7.272 -3.605 1.00 0.00 C ATOM 1505 O LYS A 92 27.164 -8.395 -3.349 1.00 0.00 O ATOM 1506 CB LYS A 92 25.743 -6.030 -2.487 1.00 0.00 C ATOM 1507 CG LYS A 92 25.003 -4.713 -2.328 1.00 0.00 C ATOM 1508 CD LYS A 92 24.124 -4.698 -1.083 1.00 0.00 C ATOM 1509 CE LYS A 92 24.934 -4.856 0.212 1.00 0.00 C ATOM 1510 NZ LYS A 92 25.970 -3.804 0.368 1.00 0.00 N ATOM 0 H LYS A 92 24.975 -6.202 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 92 27.311 -5.179 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.014 -6.835 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 92 26.318 -6.224 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 92 25.723 -3.897 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.386 -4.535 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.567 -3.762 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.392 -5.502 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.257 -4.824 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.412 -5.836 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.384 -3.863 1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.716 -3.944 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.537 -2.868 0.236 1.00 0.00 H new ATOM 1524 N LYS A 93 28.850 -7.027 -3.845 1.00 0.00 N ATOM 1525 CA LYS A 93 29.872 -8.031 -3.721 1.00 0.00 C ATOM 1526 C LYS A 93 30.871 -7.507 -2.689 1.00 0.00 C ATOM 1527 O LYS A 93 31.993 -7.999 -2.533 1.00 0.00 O ATOM 1528 CB LYS A 93 30.549 -8.267 -5.072 1.00 0.00 C ATOM 1529 CG LYS A 93 31.408 -9.522 -5.120 1.00 0.00 C ATOM 1530 CD LYS A 93 32.164 -9.653 -6.425 1.00 0.00 C ATOM 1531 CE LYS A 93 33.207 -8.561 -6.584 1.00 0.00 C ATOM 1532 NZ LYS A 93 34.002 -8.752 -7.806 1.00 0.00 N ATOM 0 H LYS A 93 29.199 -6.114 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 93 29.456 -8.987 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 93 29.783 -8.333 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 93 31.170 -7.404 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 93 32.117 -9.506 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 93 30.775 -10.398 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 93 32.649 -10.628 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 93 31.462 -9.609 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 93 32.716 -7.589 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 93 33.866 -8.557 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 34.705 -7.990 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 34.489 -9.670 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 33.374 -8.732 -8.635 1.00 0.00 H new ATOM 1546 N ASP A 94 30.427 -6.491 -1.976 1.00 0.00 N ATOM 1547 CA ASP A 94 31.201 -5.850 -0.926 1.00 0.00 C ATOM 1548 C ASP A 94 31.072 -6.648 0.356 1.00 0.00 C ATOM 1549 O ASP A 94 31.781 -6.409 1.330 1.00 0.00 O ATOM 1550 CB ASP A 94 30.710 -4.414 -0.690 1.00 0.00 C ATOM 1551 CG ASP A 94 29.313 -4.332 -0.085 1.00 0.00 C ATOM 1552 OD1 ASP A 94 28.304 -4.445 -0.832 1.00 0.00 O ATOM 1553 OD2 ASP A 94 29.197 -4.122 1.142 1.00 0.00 O ATOM 0 H ASP A 94 29.504 -6.079 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 94 32.246 -5.814 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 94 31.412 -3.904 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 94 30.717 -3.877 -1.639 1.00 0.00 H new ATOM 1558 N LEU A 95 30.171 -7.585 0.336 1.00 0.00 N ATOM 1559 CA LEU A 95 29.920 -8.457 1.442 1.00 0.00 C ATOM 1560 C LEU A 95 30.667 -9.766 1.248 1.00 0.00 C ATOM 1561 O LEU A 95 30.987 -10.136 0.108 1.00 0.00 O ATOM 1562 CB LEU A 95 28.387 -8.656 1.614 1.00 0.00 C ATOM 1563 CG LEU A 95 27.542 -8.985 0.349 1.00 0.00 C ATOM 1564 CD1 LEU A 95 27.767 -10.401 -0.164 1.00 0.00 C ATOM 1565 CD2 LEU A 95 26.065 -8.737 0.608 1.00 0.00 C ATOM 0 H LEU A 95 29.575 -7.768 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 95 30.292 -8.013 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 95 28.234 -9.459 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 95 27.981 -7.747 2.059 1.00 0.00 H new ATOM 0 HG LEU A 95 27.883 -8.310 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 95 27.151 -10.570 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 95 28.817 -10.531 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 95 27.494 -11.117 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 95 25.493 -8.973 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 95 25.728 -9.369 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 95 25.912 -7.690 0.870 1.00 0.00 H new ATOM 1577 N GLU A 96 30.979 -10.433 2.324 1.00 0.00 N ATOM 1578 CA GLU A 96 31.635 -11.704 2.256 1.00 0.00 C ATOM 1579 C GLU A 96 30.996 -12.682 3.225 1.00 0.00 C ATOM 1580 O GLU A 96 30.276 -13.580 2.768 1.00 0.00 O ATOM 1581 CB GLU A 96 33.171 -11.602 2.424 1.00 0.00 C ATOM 1582 CG GLU A 96 33.666 -10.919 3.690 1.00 0.00 C ATOM 1583 CD GLU A 96 35.167 -10.964 3.799 1.00 0.00 C ATOM 1584 OE1 GLU A 96 35.844 -10.066 3.266 1.00 0.00 O ATOM 1585 OE2 GLU A 96 35.710 -11.917 4.398 1.00 0.00 O ATOM 1586 OXT GLU A 96 31.136 -12.514 4.451 1.00 0.00 O ATOM 0 H GLU A 96 30.785 -10.109 3.271 1.00 0.00 H new ATOM 0 HA GLU A 96 31.492 -12.096 1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 33.586 -12.609 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 96 33.574 -11.065 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 96 33.332 -9.881 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 96 33.224 -11.403 4.561 1.00 0.00 H new TER 1593 GLU A 96