USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 778 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 12 LYS NZ :NH3+ -117:sc= -0.126 (180deg=-0.219) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HE2:sc= -0.888 K(o=-0.89,f=-1.6) USER MOD Set 2.2: B 116 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 SER OG : rot 160:sc= -1.96 USER MOD Set 3.2: A 43 LYS NZ :NH3+ -117:sc= 0.276 (180deg=-0.156) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 1:sc= -7.6! USER MOD Single : A 28 SER OG : rot 180:sc= -0.133 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0.417 (180deg=0) USER MOD Single : A 40 SER OG : rot -130:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 46 SER OG : rot 111:sc= -0.445 USER MOD Single : A 48 SER OG : rot 50:sc= -0.668 USER MOD Single : A 58 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.43) USER MOD Single : A 63 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= -0.254 (180deg=-0.961) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 83:sc= 0.234 USER MOD Single : A 84 SER OG : rot 50:sc= 0.184 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -32:sc= 0.0164 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -3.860 -1.178 -18.393 1.00 0.00 N ATOM 2 CA LYS A 9 -3.217 -2.087 -17.410 1.00 0.00 C ATOM 3 C LYS A 9 -2.426 -1.301 -16.367 1.00 0.00 C ATOM 4 O LYS A 9 -1.706 -0.358 -16.700 1.00 0.00 O ATOM 5 CB LYS A 9 -2.292 -3.046 -18.165 1.00 0.00 C ATOM 6 CG LYS A 9 -2.875 -4.438 -18.341 1.00 0.00 C ATOM 7 CD LYS A 9 -1.937 -5.338 -19.132 1.00 0.00 C ATOM 8 CE LYS A 9 -1.903 -6.748 -18.563 1.00 0.00 C ATOM 9 NZ LYS A 9 -0.592 -7.060 -17.929 1.00 0.00 N ATOM 0 HA LYS A 9 -3.988 -2.647 -16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.070 -2.627 -19.146 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.346 -3.122 -17.630 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.067 -4.880 -17.363 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.834 -4.370 -18.854 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.257 -5.373 -20.173 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.932 -4.916 -19.121 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.698 -6.861 -17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.101 -7.466 -19.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.610 -8.030 -17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.165 -6.977 -18.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.414 -6.392 -17.152 1.00 0.00 H new ATOM 25 N GLU A 10 -2.564 -1.697 -15.106 1.00 0.00 N ATOM 26 CA GLU A 10 -1.863 -1.032 -14.012 1.00 0.00 C ATOM 27 C GLU A 10 -2.276 0.433 -13.909 1.00 0.00 C ATOM 28 O GLU A 10 -2.684 1.045 -14.896 1.00 0.00 O ATOM 29 CB GLU A 10 -0.350 -1.136 -14.211 1.00 0.00 C ATOM 30 CG GLU A 10 0.231 -2.470 -13.770 1.00 0.00 C ATOM 31 CD GLU A 10 1.728 -2.405 -13.537 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.238 -1.298 -13.260 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.388 -3.460 -13.628 1.00 0.00 O ATOM 0 H GLU A 10 -3.155 -2.476 -14.816 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.136 -1.532 -13.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.119 -0.979 -15.265 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.137 -0.335 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.262 -2.792 -12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.017 -3.224 -14.528 1.00 0.00 H new ATOM 40 N LYS A 11 -2.167 0.990 -12.707 1.00 0.00 N ATOM 41 CA LYS A 11 -2.528 2.382 -12.473 1.00 0.00 C ATOM 42 C LYS A 11 -1.304 3.201 -12.073 1.00 0.00 C ATOM 43 O LYS A 11 -0.542 2.805 -11.190 1.00 0.00 O ATOM 44 CB LYS A 11 -3.599 2.477 -11.383 1.00 0.00 C ATOM 45 CG LYS A 11 -4.030 3.901 -11.074 1.00 0.00 C ATOM 46 CD LYS A 11 -5.433 3.942 -10.488 1.00 0.00 C ATOM 47 CE LYS A 11 -5.480 3.298 -9.113 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.877 3.124 -8.627 1.00 0.00 N ATOM 0 H LYS A 11 -1.831 0.497 -11.880 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.928 2.789 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.472 1.901 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.219 2.016 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.328 4.351 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.997 4.498 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.769 4.976 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.123 3.427 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.985 2.327 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.924 3.913 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.865 2.681 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.342 4.052 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.401 2.516 -9.288 1.00 0.00 H new ATOM 62 N LYS A 12 -1.122 4.343 -12.729 1.00 0.00 N ATOM 63 CA LYS A 12 0.011 5.216 -12.443 1.00 0.00 C ATOM 64 C LYS A 12 -0.353 6.256 -11.388 1.00 0.00 C ATOM 65 O LYS A 12 -1.420 6.867 -11.445 1.00 0.00 O ATOM 66 CB LYS A 12 0.479 5.913 -13.721 1.00 0.00 C ATOM 67 CG LYS A 12 1.988 6.074 -13.810 1.00 0.00 C ATOM 68 CD LYS A 12 2.609 5.016 -14.708 1.00 0.00 C ATOM 69 CE LYS A 12 4.116 5.183 -14.806 1.00 0.00 C ATOM 70 NZ LYS A 12 4.783 4.992 -13.488 1.00 0.00 N ATOM 0 H LYS A 12 -1.744 4.685 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 12 0.822 4.600 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.131 5.344 -14.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.013 6.897 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.227 7.065 -14.195 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.422 6.006 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.376 4.025 -14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.169 5.079 -15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.515 4.465 -15.522 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.347 6.177 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.250 5.877 -13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.073 4.731 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.492 4.235 -13.564 1.00 0.00 H new ATOM 84 N VAL A 13 0.542 6.452 -10.425 1.00 0.00 N ATOM 85 CA VAL A 13 0.319 7.420 -9.358 1.00 0.00 C ATOM 86 C VAL A 13 1.586 8.217 -9.070 1.00 0.00 C ATOM 87 O VAL A 13 2.693 7.680 -9.110 1.00 0.00 O ATOM 88 CB VAL A 13 -0.151 6.729 -8.062 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.443 7.756 -6.977 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.374 5.866 -8.334 1.00 0.00 C ATOM 0 H VAL A 13 1.429 5.953 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.463 8.098 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 13 0.652 6.083 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.773 7.246 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.461 8.326 -6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.226 8.433 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.693 5.385 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.182 6.490 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.124 5.103 -9.072 1.00 0.00 H new ATOM 100 N PHE A 14 1.416 9.504 -8.783 1.00 0.00 N ATOM 101 CA PHE A 14 2.548 10.376 -8.490 1.00 0.00 C ATOM 102 C PHE A 14 2.360 11.082 -7.151 1.00 0.00 C ATOM 103 O PHE A 14 1.312 11.674 -6.892 1.00 0.00 O ATOM 104 CB PHE A 14 2.724 11.409 -9.604 1.00 0.00 C ATOM 105 CG PHE A 14 1.482 12.207 -9.884 1.00 0.00 C ATOM 106 CD1 PHE A 14 0.432 11.650 -10.597 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.364 13.511 -9.432 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.712 12.381 -10.855 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.221 14.246 -9.688 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.818 13.680 -10.400 1.00 0.00 C ATOM 0 H PHE A 14 0.507 9.965 -8.747 1.00 0.00 H new ATOM 0 HA PHE A 14 3.444 9.758 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.530 12.090 -9.333 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.032 10.898 -10.517 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.509 10.634 -10.955 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.173 13.958 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.523 11.936 -11.412 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.141 15.262 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.712 14.252 -10.600 1.00 0.00 H new ATOM 120 N ILE A 15 3.383 11.017 -6.307 1.00 0.00 N ATOM 121 CA ILE A 15 3.335 11.653 -4.997 1.00 0.00 C ATOM 122 C ILE A 15 4.471 12.656 -4.836 1.00 0.00 C ATOM 123 O ILE A 15 5.631 12.275 -4.674 1.00 0.00 O ATOM 124 CB ILE A 15 3.416 10.609 -3.866 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.407 9.485 -4.106 1.00 0.00 C ATOM 126 CG2 ILE A 15 3.170 11.269 -2.516 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.968 9.954 -4.109 1.00 0.00 C ATOM 0 H ILE A 15 4.256 10.530 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 15 2.381 12.176 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 15 4.417 10.178 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.627 9.008 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.531 8.725 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.231 10.519 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.924 12.038 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.180 11.724 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.309 9.104 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.730 10.405 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.827 10.692 -4.899 1.00 0.00 H new ATOM 139 N SER A 16 4.131 13.941 -4.887 1.00 0.00 N ATOM 140 CA SER A 16 5.123 15.002 -4.752 1.00 0.00 C ATOM 141 C SER A 16 5.023 15.682 -3.390 1.00 0.00 C ATOM 142 O SER A 16 5.984 16.289 -2.919 1.00 0.00 O ATOM 143 CB SER A 16 4.946 16.037 -5.866 1.00 0.00 C ATOM 144 OG SER A 16 6.061 16.908 -5.934 1.00 0.00 O ATOM 0 H SER A 16 3.176 14.272 -5.021 1.00 0.00 H new ATOM 0 HA SER A 16 6.111 14.549 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.819 15.529 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.039 16.615 -5.689 1.00 0.00 H new ATOM 0 HG SER A 16 5.924 17.559 -6.654 1.00 0.00 H new ATOM 150 N LEU A 17 3.855 15.579 -2.760 1.00 0.00 N ATOM 151 CA LEU A 17 3.636 16.186 -1.451 1.00 0.00 C ATOM 152 C LEU A 17 3.642 17.708 -1.549 1.00 0.00 C ATOM 153 O LEU A 17 4.154 18.277 -2.514 1.00 0.00 O ATOM 154 CB LEU A 17 4.707 15.721 -0.460 1.00 0.00 C ATOM 155 CG LEU A 17 4.286 15.755 1.012 1.00 0.00 C ATOM 156 CD1 LEU A 17 4.666 14.457 1.708 1.00 0.00 C ATOM 157 CD2 LEU A 17 4.916 16.945 1.721 1.00 0.00 C ATOM 0 H LEU A 17 3.047 15.082 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 17 2.658 15.867 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.999 14.702 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.591 16.346 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 17 3.202 15.863 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.359 14.501 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.167 13.621 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.746 14.317 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.605 16.952 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.002 16.868 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.593 17.868 1.240 1.00 0.00 H new ATOM 169 N VAL A 18 3.068 18.362 -0.544 1.00 0.00 N ATOM 170 CA VAL A 18 3.007 19.818 -0.518 1.00 0.00 C ATOM 171 C VAL A 18 4.099 20.402 0.370 1.00 0.00 C ATOM 172 O VAL A 18 5.001 21.090 -0.109 1.00 0.00 O ATOM 173 CB VAL A 18 1.636 20.314 -0.017 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.508 21.817 -0.209 1.00 0.00 C ATOM 175 CG2 VAL A 18 0.509 19.580 -0.728 1.00 0.00 C ATOM 0 H VAL A 18 2.639 17.907 0.262 1.00 0.00 H new ATOM 0 HA VAL A 18 3.158 20.157 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 18 1.561 20.100 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.534 22.148 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.293 22.324 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.605 22.058 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.451 19.944 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.578 19.759 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.591 18.511 -0.532 1.00 0.00 H new ATOM 185 N GLY A 19 4.013 20.125 1.667 1.00 0.00 N ATOM 186 CA GLY A 19 5.001 20.631 2.601 1.00 0.00 C ATOM 187 C GLY A 19 5.642 19.530 3.424 1.00 0.00 C ATOM 188 O GLY A 19 6.777 19.132 3.161 1.00 0.00 O ATOM 0 H GLY A 19 3.276 19.559 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.775 21.166 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.529 21.351 3.269 1.00 0.00 H new ATOM 192 N SER A 20 4.914 19.039 4.421 1.00 0.00 N ATOM 193 CA SER A 20 5.420 17.977 5.284 1.00 0.00 C ATOM 194 C SER A 20 4.274 17.232 5.959 1.00 0.00 C ATOM 195 O SER A 20 4.418 16.730 7.075 1.00 0.00 O ATOM 196 CB SER A 20 6.359 18.555 6.342 1.00 0.00 C ATOM 197 OG SER A 20 5.725 19.582 7.083 1.00 0.00 O ATOM 0 H SER A 20 3.973 19.358 4.652 1.00 0.00 H new ATOM 0 HA SER A 20 5.973 17.272 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.682 17.763 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.254 18.949 5.861 1.00 0.00 H new ATOM 0 HG SER A 20 6.347 19.933 7.754 1.00 0.00 H new ATOM 203 N ARG A 21 3.135 17.162 5.279 1.00 0.00 N ATOM 204 CA ARG A 21 1.965 16.476 5.814 1.00 0.00 C ATOM 205 C ARG A 21 1.994 14.992 5.464 1.00 0.00 C ATOM 206 O ARG A 21 1.468 14.159 6.201 1.00 0.00 O ATOM 207 CB ARG A 21 0.682 17.113 5.276 1.00 0.00 C ATOM 208 CG ARG A 21 0.685 17.307 3.768 1.00 0.00 C ATOM 209 CD ARG A 21 0.721 18.780 3.394 1.00 0.00 C ATOM 210 NE ARG A 21 -0.342 19.537 4.050 1.00 0.00 N ATOM 211 CZ ARG A 21 -0.331 20.861 4.193 1.00 0.00 C ATOM 212 NH1 ARG A 21 0.684 21.577 3.725 1.00 0.00 N ATOM 213 NH2 ARG A 21 -1.339 21.471 4.802 1.00 0.00 N ATOM 0 H ARG A 21 2.997 17.572 4.355 1.00 0.00 H new ATOM 0 HA ARG A 21 1.984 16.575 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.167 16.488 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.536 18.080 5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.548 16.800 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.203 16.844 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.688 19.200 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.625 18.882 2.313 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.140 19.021 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.460 21.113 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.687 22.591 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.123 20.926 5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.330 22.485 4.911 1.00 0.00 H new ATOM 227 N GLY A 22 2.613 14.670 4.332 1.00 0.00 N ATOM 228 CA GLY A 22 2.699 13.287 3.904 1.00 0.00 C ATOM 229 C GLY A 22 1.716 12.964 2.795 1.00 0.00 C ATOM 230 O GLY A 22 0.896 13.799 2.422 1.00 0.00 O ATOM 0 H GLY A 22 3.056 15.342 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.712 13.078 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.510 12.633 4.756 1.00 0.00 H new ATOM 234 N LEU A 23 1.800 11.744 2.272 1.00 0.00 N ATOM 235 CA LEU A 23 0.913 11.305 1.202 1.00 0.00 C ATOM 236 C LEU A 23 -0.546 11.383 1.652 1.00 0.00 C ATOM 237 O LEU A 23 -1.419 11.789 0.885 1.00 0.00 O ATOM 238 CB LEU A 23 1.296 9.878 0.772 1.00 0.00 C ATOM 239 CG LEU A 23 0.140 8.927 0.428 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.104 8.646 -1.067 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.275 7.628 1.210 1.00 0.00 C ATOM 0 H LEU A 23 2.475 11.041 2.573 1.00 0.00 H new ATOM 0 HA LEU A 23 1.024 11.965 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.949 9.949 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.881 9.427 1.573 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.797 9.407 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.722 7.970 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.035 9.581 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.043 8.185 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.551 6.963 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.219 7.147 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.253 7.843 2.278 1.00 0.00 H new ATOM 253 N GLY A 24 -0.798 10.990 2.895 1.00 0.00 N ATOM 254 CA GLY A 24 -2.151 11.025 3.423 1.00 0.00 C ATOM 255 C GLY A 24 -2.849 9.682 3.329 1.00 0.00 C ATOM 256 O GLY A 24 -4.062 9.620 3.135 1.00 0.00 O ATOM 0 H GLY A 24 -0.092 10.648 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.122 11.343 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.730 11.770 2.878 1.00 0.00 H new ATOM 260 N CYS A 25 -2.081 8.605 3.464 1.00 0.00 N ATOM 261 CA CYS A 25 -2.635 7.259 3.390 1.00 0.00 C ATOM 262 C CYS A 25 -1.808 6.287 4.223 1.00 0.00 C ATOM 263 O CYS A 25 -0.712 6.617 4.672 1.00 0.00 O ATOM 264 CB CYS A 25 -2.683 6.783 1.937 1.00 0.00 C ATOM 265 SG CYS A 25 -4.014 5.613 1.588 1.00 0.00 S ATOM 0 H CYS A 25 -1.074 8.639 3.625 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.648 7.288 3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.795 7.650 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.730 6.318 1.687 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.705 5.406 2.670 1.00 0.00 H new ATOM 271 N SER A 26 -2.338 5.085 4.420 1.00 0.00 N ATOM 272 CA SER A 26 -1.641 4.065 5.193 1.00 0.00 C ATOM 273 C SER A 26 -1.268 2.886 4.303 1.00 0.00 C ATOM 274 O SER A 26 -1.675 2.821 3.145 1.00 0.00 O ATOM 275 CB SER A 26 -2.516 3.590 6.355 1.00 0.00 C ATOM 276 OG SER A 26 -2.517 4.532 7.412 1.00 0.00 O ATOM 0 H SER A 26 -3.245 4.794 4.056 1.00 0.00 H new ATOM 0 HA SER A 26 -0.727 4.501 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.536 3.431 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.151 2.630 6.720 1.00 0.00 H new ATOM 0 HG SER A 26 -3.300 4.383 7.982 1.00 0.00 H new ATOM 282 N ILE A 27 -0.490 1.959 4.848 1.00 0.00 N ATOM 283 CA ILE A 27 -0.069 0.786 4.094 1.00 0.00 C ATOM 284 C ILE A 27 -0.039 -0.455 4.977 1.00 0.00 C ATOM 285 O ILE A 27 0.365 -0.395 6.139 1.00 0.00 O ATOM 286 CB ILE A 27 1.321 0.987 3.456 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.263 1.705 4.425 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.196 1.764 2.153 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.644 1.948 3.859 1.00 0.00 C ATOM 0 H ILE A 27 -0.139 1.997 5.805 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.803 0.646 3.300 1.00 0.00 H new ATOM 0 HB ILE A 27 1.745 0.007 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.821 2.661 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.352 1.114 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.184 1.899 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.563 1.211 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.751 2.739 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.256 2.460 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.106 0.994 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.567 2.565 2.964 1.00 0.00 H new ATOM 301 N SER A 28 -0.475 -1.578 4.420 1.00 0.00 N ATOM 302 CA SER A 28 -0.504 -2.837 5.155 1.00 0.00 C ATOM 303 C SER A 28 0.312 -3.906 4.439 1.00 0.00 C ATOM 304 O SER A 28 0.607 -3.784 3.250 1.00 0.00 O ATOM 305 CB SER A 28 -1.948 -3.315 5.331 1.00 0.00 C ATOM 306 OG SER A 28 -1.992 -4.576 5.974 1.00 0.00 O ATOM 0 H SER A 28 -0.814 -1.643 3.460 1.00 0.00 H new ATOM 0 HA SER A 28 -0.061 -2.665 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.507 -2.585 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.433 -3.382 4.357 1.00 0.00 H new ATOM 0 HG SER A 28 -2.925 -4.859 6.076 1.00 0.00 H new ATOM 312 N SER A 29 0.673 -4.954 5.169 1.00 0.00 N ATOM 313 CA SER A 29 1.456 -6.045 4.602 1.00 0.00 C ATOM 314 C SER A 29 0.583 -7.273 4.367 1.00 0.00 C ATOM 315 O SER A 29 -0.263 -7.614 5.195 1.00 0.00 O ATOM 316 CB SER A 29 2.620 -6.402 5.528 1.00 0.00 C ATOM 317 OG SER A 29 2.154 -6.758 6.818 1.00 0.00 O ATOM 0 H SER A 29 0.436 -5.072 6.154 1.00 0.00 H new ATOM 0 HA SER A 29 1.854 -5.714 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.188 -7.229 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.301 -5.554 5.605 1.00 0.00 H new ATOM 0 HG SER A 29 2.917 -6.983 7.391 1.00 0.00 H new ATOM 323 N GLY A 30 0.790 -7.931 3.232 1.00 0.00 N ATOM 324 CA GLY A 30 0.011 -9.112 2.908 1.00 0.00 C ATOM 325 C GLY A 30 0.636 -10.386 3.446 1.00 0.00 C ATOM 326 O GLY A 30 1.774 -10.370 3.917 1.00 0.00 O ATOM 0 H GLY A 30 1.483 -7.668 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.994 -9.004 3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.091 -9.190 1.826 1.00 0.00 H new ATOM 330 N PRO A 31 -0.090 -11.515 3.387 1.00 0.00 N ATOM 331 CA PRO A 31 0.413 -12.802 3.875 1.00 0.00 C ATOM 332 C PRO A 31 1.582 -13.319 3.043 1.00 0.00 C ATOM 333 O PRO A 31 2.099 -12.615 2.176 1.00 0.00 O ATOM 334 CB PRO A 31 -0.793 -13.736 3.741 1.00 0.00 C ATOM 335 CG PRO A 31 -1.648 -13.109 2.695 1.00 0.00 C ATOM 336 CD PRO A 31 -1.454 -11.626 2.840 1.00 0.00 C ATOM 0 HA PRO A 31 0.797 -12.728 4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.485 -14.740 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.328 -13.828 4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.358 -13.446 1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.695 -13.381 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.547 -11.113 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.193 -11.187 3.510 1.00 0.00 H new ATOM 344 N ILE A 32 1.993 -14.552 3.315 1.00 0.00 N ATOM 345 CA ILE A 32 3.102 -15.166 2.592 1.00 0.00 C ATOM 346 C ILE A 32 2.713 -15.481 1.151 1.00 0.00 C ATOM 347 O ILE A 32 3.572 -15.562 0.271 1.00 0.00 O ATOM 348 CB ILE A 32 3.569 -16.463 3.280 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.744 -16.238 4.787 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.867 -16.957 2.657 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.908 -17.171 5.636 1.00 0.00 C ATOM 0 H ILE A 32 1.575 -15.147 4.031 1.00 0.00 H new ATOM 0 HA ILE A 32 3.920 -14.445 2.595 1.00 0.00 H new ATOM 0 HB ILE A 32 2.805 -17.227 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.795 -16.367 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.481 -15.208 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.183 -17.874 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.709 -17.155 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.639 -16.196 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.081 -16.956 6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.853 -17.026 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.187 -18.203 5.425 1.00 0.00 H new ATOM 363 N GLN A 33 1.418 -15.661 0.916 1.00 0.00 N ATOM 364 CA GLN A 33 0.920 -15.971 -0.419 1.00 0.00 C ATOM 365 C GLN A 33 1.048 -14.766 -1.349 1.00 0.00 C ATOM 366 O GLN A 33 1.172 -14.922 -2.565 1.00 0.00 O ATOM 367 CB GLN A 33 -0.540 -16.420 -0.348 1.00 0.00 C ATOM 368 CG GLN A 33 -0.718 -17.815 0.232 1.00 0.00 C ATOM 369 CD GLN A 33 -1.652 -17.838 1.425 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.871 -17.938 1.272 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.087 -17.744 2.623 1.00 0.00 N ATOM 0 H GLN A 33 0.694 -15.598 1.632 1.00 0.00 H new ATOM 0 HA GLN A 33 1.526 -16.782 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.102 -15.709 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.969 -16.394 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.106 -18.478 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.255 -18.207 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.073 -17.663 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.667 -17.753 3.462 1.00 0.00 H new ATOM 380 N LYS A 34 1.017 -13.567 -0.775 1.00 0.00 N ATOM 381 CA LYS A 34 1.129 -12.345 -1.562 1.00 0.00 C ATOM 382 C LYS A 34 1.839 -11.243 -0.776 1.00 0.00 C ATOM 383 O LYS A 34 1.249 -10.204 -0.475 1.00 0.00 O ATOM 384 CB LYS A 34 -0.258 -11.866 -1.998 1.00 0.00 C ATOM 385 CG LYS A 34 -0.679 -12.386 -3.363 1.00 0.00 C ATOM 386 CD LYS A 34 -1.811 -11.556 -3.949 1.00 0.00 C ATOM 387 CE LYS A 34 -1.296 -10.554 -4.969 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.297 -10.281 -6.039 1.00 0.00 N ATOM 0 H LYS A 34 0.916 -13.416 0.229 1.00 0.00 H new ATOM 0 HA LYS A 34 1.725 -12.570 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.992 -12.181 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.269 -10.776 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.175 -12.368 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.995 -13.425 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.540 -12.215 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.329 -11.028 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.041 -9.622 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.379 -10.934 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.821 -10.261 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.019 -11.029 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.751 -9.362 -5.864 1.00 0.00 H new ATOM 402 N PRO A 35 3.123 -11.451 -0.434 1.00 0.00 N ATOM 403 CA PRO A 35 3.910 -10.467 0.317 1.00 0.00 C ATOM 404 C PRO A 35 4.162 -9.197 -0.490 1.00 0.00 C ATOM 405 O PRO A 35 4.669 -9.254 -1.610 1.00 0.00 O ATOM 406 CB PRO A 35 5.237 -11.191 0.597 1.00 0.00 C ATOM 407 CG PRO A 35 4.977 -12.630 0.304 1.00 0.00 C ATOM 408 CD PRO A 35 3.910 -12.652 -0.749 1.00 0.00 C ATOM 0 HA PRO A 35 3.393 -10.142 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.037 -10.801 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.549 -11.052 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.882 -13.126 -0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.651 -13.158 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.331 -12.609 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.306 -13.558 -0.695 1.00 0.00 H new ATOM 416 N GLY A 36 3.809 -8.052 0.087 1.00 0.00 N ATOM 417 CA GLY A 36 4.007 -6.787 -0.598 1.00 0.00 C ATOM 418 C GLY A 36 3.418 -5.616 0.163 1.00 0.00 C ATOM 419 O GLY A 36 2.794 -5.796 1.208 1.00 0.00 O ATOM 0 H GLY A 36 3.390 -7.978 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.074 -6.621 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.553 -6.838 -1.588 1.00 0.00 H new ATOM 423 N ILE A 37 3.615 -4.411 -0.363 1.00 0.00 N ATOM 424 CA ILE A 37 3.098 -3.206 0.273 1.00 0.00 C ATOM 425 C ILE A 37 1.694 -2.881 -0.228 1.00 0.00 C ATOM 426 O ILE A 37 1.498 -2.591 -1.407 1.00 0.00 O ATOM 427 CB ILE A 37 4.015 -1.991 0.018 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.484 -2.387 0.174 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.664 -0.858 0.970 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.858 -2.790 1.583 1.00 0.00 C ATOM 0 H ILE A 37 4.129 -4.244 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 37 3.065 -3.406 1.344 1.00 0.00 H new ATOM 0 HB ILE A 37 3.860 -1.646 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.702 -3.215 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.111 -1.551 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.318 -0.007 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.627 -0.560 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.795 -1.193 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.914 -3.057 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.673 -1.957 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.257 -3.647 1.888 1.00 0.00 H new ATOM 442 N PHE A 38 0.721 -2.941 0.676 1.00 0.00 N ATOM 443 CA PHE A 38 -0.666 -2.659 0.327 1.00 0.00 C ATOM 444 C PHE A 38 -1.083 -1.276 0.812 1.00 0.00 C ATOM 445 O PHE A 38 -0.341 -0.611 1.535 1.00 0.00 O ATOM 446 CB PHE A 38 -1.587 -3.726 0.923 1.00 0.00 C ATOM 447 CG PHE A 38 -1.252 -5.119 0.472 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.041 -5.698 0.813 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.146 -5.848 -0.295 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.275 -6.977 0.396 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.837 -7.129 -0.713 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.626 -7.694 -0.367 1.00 0.00 C ATOM 0 H PHE A 38 0.868 -3.183 1.656 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.753 -2.678 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.529 -3.680 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.618 -3.501 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.665 -5.143 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.095 -5.411 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.224 -7.415 0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.543 -7.687 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.383 -8.695 -0.692 1.00 0.00 H new ATOM 462 N ILE A 39 -2.271 -0.846 0.401 1.00 0.00 N ATOM 463 CA ILE A 39 -2.788 0.462 0.782 1.00 0.00 C ATOM 464 C ILE A 39 -3.920 0.338 1.799 1.00 0.00 C ATOM 465 O ILE A 39 -4.827 -0.482 1.643 1.00 0.00 O ATOM 466 CB ILE A 39 -3.286 1.242 -0.455 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.098 1.713 -1.294 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.149 2.429 -0.044 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.269 2.783 -0.619 1.00 0.00 C ATOM 0 H ILE A 39 -2.895 -1.387 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.966 1.011 1.241 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.900 0.571 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.460 0.858 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.465 2.096 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.486 2.960 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.014 2.073 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.565 3.104 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.444 3.069 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.893 3.654 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.872 2.397 0.320 1.00 0.00 H new ATOM 481 N SER A 40 -3.859 1.167 2.834 1.00 0.00 N ATOM 482 CA SER A 40 -4.871 1.174 3.880 1.00 0.00 C ATOM 483 C SER A 40 -5.768 2.400 3.745 1.00 0.00 C ATOM 484 O SER A 40 -5.710 3.114 2.744 1.00 0.00 O ATOM 485 CB SER A 40 -4.207 1.151 5.261 1.00 0.00 C ATOM 486 OG SER A 40 -4.296 -0.136 5.847 1.00 0.00 O ATOM 0 H SER A 40 -3.112 1.848 2.971 1.00 0.00 H new ATOM 0 HA SER A 40 -5.487 0.281 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.160 1.441 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.686 1.884 5.911 1.00 0.00 H new ATOM 0 HG SER A 40 -4.641 -0.056 6.761 1.00 0.00 H new ATOM 492 N HIS A 41 -6.596 2.641 4.758 1.00 0.00 N ATOM 493 CA HIS A 41 -7.505 3.784 4.750 1.00 0.00 C ATOM 494 C HIS A 41 -6.777 5.064 4.351 1.00 0.00 C ATOM 495 O HIS A 41 -5.608 5.256 4.687 1.00 0.00 O ATOM 496 CB HIS A 41 -8.149 3.959 6.128 1.00 0.00 C ATOM 497 CG HIS A 41 -9.281 4.939 6.139 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.496 4.690 5.536 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.380 6.173 6.686 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.293 5.731 5.710 1.00 0.00 C ATOM 501 NE2 HIS A 41 -10.640 6.642 6.406 1.00 0.00 N ATOM 0 H HIS A 41 -6.656 2.060 5.595 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.283 3.588 4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.513 2.992 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.388 4.287 6.837 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.611 6.692 7.239 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.305 5.820 5.345 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.011 7.549 6.690 1.00 0.00 H new ATOM 510 N VAL A 42 -7.475 5.936 3.631 1.00 0.00 N ATOM 511 CA VAL A 42 -6.892 7.198 3.185 1.00 0.00 C ATOM 512 C VAL A 42 -7.519 8.378 3.920 1.00 0.00 C ATOM 513 O VAL A 42 -8.629 8.278 4.441 1.00 0.00 O ATOM 514 CB VAL A 42 -7.065 7.405 1.665 1.00 0.00 C ATOM 515 CG1 VAL A 42 -5.963 8.303 1.123 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.085 6.071 0.927 1.00 0.00 C ATOM 0 H VAL A 42 -8.443 5.793 3.344 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.827 7.148 3.413 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.025 7.893 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.099 8.439 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.006 9.272 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.993 7.842 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.208 6.248 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.147 5.544 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.914 5.466 1.292 1.00 0.00 H new ATOM 526 N LYS A 43 -6.800 9.495 3.956 1.00 0.00 N ATOM 527 CA LYS A 43 -7.288 10.694 4.630 1.00 0.00 C ATOM 528 C LYS A 43 -7.518 11.828 3.630 1.00 0.00 C ATOM 529 O LYS A 43 -6.668 12.093 2.779 1.00 0.00 O ATOM 530 CB LYS A 43 -6.293 11.141 5.703 1.00 0.00 C ATOM 531 CG LYS A 43 -5.927 10.041 6.687 1.00 0.00 C ATOM 532 CD LYS A 43 -4.560 9.450 6.380 1.00 0.00 C ATOM 533 CE LYS A 43 -4.268 8.239 7.252 1.00 0.00 C ATOM 534 NZ LYS A 43 -2.823 7.883 7.242 1.00 0.00 N ATOM 0 H LYS A 43 -5.880 9.596 3.528 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.240 10.452 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.385 11.501 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.716 11.982 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.932 10.442 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.681 9.254 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.514 9.163 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.792 10.207 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.584 8.443 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.854 7.389 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.702 6.935 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.298 8.577 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.458 7.887 8.216 1.00 0.00 H new ATOM 548 N PRO A 44 -8.672 12.517 3.717 1.00 0.00 N ATOM 549 CA PRO A 44 -8.997 13.626 2.812 1.00 0.00 C ATOM 550 C PRO A 44 -7.923 14.709 2.815 1.00 0.00 C ATOM 551 O PRO A 44 -7.108 14.788 3.734 1.00 0.00 O ATOM 552 CB PRO A 44 -10.311 14.178 3.376 1.00 0.00 C ATOM 553 CG PRO A 44 -10.905 13.047 4.140 1.00 0.00 C ATOM 554 CD PRO A 44 -9.744 12.274 4.699 1.00 0.00 C ATOM 0 HA PRO A 44 -9.069 13.295 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.134 15.040 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.976 14.508 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.552 13.412 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.518 12.419 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.467 12.626 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.974 11.212 4.790 1.00 0.00 H new ATOM 562 N GLY A 45 -7.928 15.543 1.779 1.00 0.00 N ATOM 563 CA GLY A 45 -6.950 16.613 1.680 1.00 0.00 C ATOM 564 C GLY A 45 -5.523 16.107 1.782 1.00 0.00 C ATOM 565 O GLY A 45 -4.843 16.346 2.778 1.00 0.00 O ATOM 0 H GLY A 45 -8.592 15.497 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.081 17.134 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.131 17.341 2.471 1.00 0.00 H new ATOM 569 N SER A 46 -5.071 15.403 0.749 1.00 0.00 N ATOM 570 CA SER A 46 -3.720 14.859 0.728 1.00 0.00 C ATOM 571 C SER A 46 -3.298 14.500 -0.693 1.00 0.00 C ATOM 572 O SER A 46 -3.955 14.881 -1.662 1.00 0.00 O ATOM 573 CB SER A 46 -3.633 13.626 1.625 1.00 0.00 C ATOM 574 OG SER A 46 -4.336 13.827 2.839 1.00 0.00 O ATOM 0 H SER A 46 -5.622 15.196 -0.084 1.00 0.00 H new ATOM 0 HA SER A 46 -3.041 15.624 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.044 12.762 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.588 13.401 1.839 1.00 0.00 H new ATOM 0 HG SER A 46 -5.133 13.257 2.854 1.00 0.00 H new ATOM 580 N LEU A 47 -2.199 13.760 -0.809 1.00 0.00 N ATOM 581 CA LEU A 47 -1.693 13.345 -2.110 1.00 0.00 C ATOM 582 C LEU A 47 -2.392 12.075 -2.577 1.00 0.00 C ATOM 583 O LEU A 47 -2.798 11.966 -3.734 1.00 0.00 O ATOM 584 CB LEU A 47 -0.180 13.117 -2.047 1.00 0.00 C ATOM 585 CG LEU A 47 0.649 14.357 -1.704 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.348 15.486 -2.678 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.377 14.798 -0.274 1.00 0.00 C ATOM 0 H LEU A 47 -1.643 13.436 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.900 14.141 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.025 12.345 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.154 12.730 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 47 1.705 14.102 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.946 16.359 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.592 15.167 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.710 15.742 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.974 15.681 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.681 15.036 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.642 13.993 0.412 1.00 0.00 H new ATOM 599 N SER A 48 -2.532 11.116 -1.665 1.00 0.00 N ATOM 600 CA SER A 48 -3.189 9.851 -1.981 1.00 0.00 C ATOM 601 C SER A 48 -4.592 10.088 -2.529 1.00 0.00 C ATOM 602 O SER A 48 -5.030 9.407 -3.457 1.00 0.00 O ATOM 603 CB SER A 48 -3.261 8.966 -0.737 1.00 0.00 C ATOM 604 OG SER A 48 -3.499 9.740 0.426 1.00 0.00 O ATOM 0 H SER A 48 -2.200 11.191 -0.703 1.00 0.00 H new ATOM 0 HA SER A 48 -2.599 9.346 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.055 8.229 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.328 8.413 -0.625 1.00 0.00 H new ATOM 0 HG SER A 48 -4.259 10.339 0.271 1.00 0.00 H new ATOM 610 N ALA A 49 -5.292 11.057 -1.949 1.00 0.00 N ATOM 611 CA ALA A 49 -6.644 11.385 -2.378 1.00 0.00 C ATOM 612 C ALA A 49 -6.645 11.983 -3.781 1.00 0.00 C ATOM 613 O ALA A 49 -7.472 11.626 -4.618 1.00 0.00 O ATOM 614 CB ALA A 49 -7.293 12.345 -1.391 1.00 0.00 C ATOM 0 H ALA A 49 -4.944 11.629 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.224 10.463 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.303 12.582 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.335 11.880 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.706 13.261 -1.335 1.00 0.00 H new ATOM 620 N GLU A 50 -5.709 12.894 -4.031 1.00 0.00 N ATOM 621 CA GLU A 50 -5.601 13.539 -5.335 1.00 0.00 C ATOM 622 C GLU A 50 -5.314 12.511 -6.423 1.00 0.00 C ATOM 623 O GLU A 50 -5.919 12.541 -7.495 1.00 0.00 O ATOM 624 CB GLU A 50 -4.498 14.599 -5.313 1.00 0.00 C ATOM 625 CG GLU A 50 -5.001 15.994 -4.977 1.00 0.00 C ATOM 626 CD GLU A 50 -5.817 16.605 -6.099 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.309 16.662 -7.239 1.00 0.00 O ATOM 628 OE2 GLU A 50 -6.963 17.026 -5.839 1.00 0.00 O ATOM 0 H GLU A 50 -5.016 13.202 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.553 14.022 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.742 14.309 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.009 14.623 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.609 15.949 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.151 16.640 -4.758 1.00 0.00 H new ATOM 635 N VAL A 51 -4.390 11.600 -6.139 1.00 0.00 N ATOM 636 CA VAL A 51 -4.025 10.558 -7.092 1.00 0.00 C ATOM 637 C VAL A 51 -5.136 9.521 -7.227 1.00 0.00 C ATOM 638 O VAL A 51 -5.248 8.849 -8.253 1.00 0.00 O ATOM 639 CB VAL A 51 -2.721 9.848 -6.679 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.558 10.828 -6.671 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.877 9.185 -5.318 1.00 0.00 C ATOM 0 H VAL A 51 -3.880 11.562 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.872 11.049 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.507 9.071 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.646 10.308 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.430 11.249 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.763 11.630 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.945 8.690 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.118 9.941 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.680 8.449 -5.362 1.00 0.00 H new ATOM 651 N GLY A 52 -5.956 9.396 -6.187 1.00 0.00 N ATOM 652 CA GLY A 52 -7.045 8.437 -6.213 1.00 0.00 C ATOM 653 C GLY A 52 -6.660 7.110 -5.594 1.00 0.00 C ATOM 654 O GLY A 52 -6.632 6.084 -6.274 1.00 0.00 O ATOM 0 H GLY A 52 -5.885 9.941 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.901 8.849 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.360 8.276 -7.244 1.00 0.00 H new ATOM 658 N LEU A 53 -6.358 7.129 -4.300 1.00 0.00 N ATOM 659 CA LEU A 53 -5.969 5.917 -3.588 1.00 0.00 C ATOM 660 C LEU A 53 -7.096 5.423 -2.685 1.00 0.00 C ATOM 661 O LEU A 53 -8.045 6.154 -2.404 1.00 0.00 O ATOM 662 CB LEU A 53 -4.711 6.174 -2.757 1.00 0.00 C ATOM 663 CG LEU A 53 -3.391 5.986 -3.507 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.228 6.503 -2.675 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.187 4.521 -3.866 1.00 0.00 C ATOM 0 H LEU A 53 -6.375 7.970 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.760 5.144 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.750 7.193 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.720 5.506 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.433 6.562 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.297 6.361 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.371 7.564 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.182 5.955 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.243 4.405 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.165 3.923 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.006 4.185 -4.501 1.00 0.00 H new ATOM 677 N GLU A 54 -6.978 4.180 -2.234 1.00 0.00 N ATOM 678 CA GLU A 54 -7.980 3.581 -1.361 1.00 0.00 C ATOM 679 C GLU A 54 -7.571 2.167 -0.964 1.00 0.00 C ATOM 680 O GLU A 54 -6.714 1.556 -1.603 1.00 0.00 O ATOM 681 CB GLU A 54 -9.343 3.552 -2.056 1.00 0.00 C ATOM 682 CG GLU A 54 -10.451 2.960 -1.200 1.00 0.00 C ATOM 683 CD GLU A 54 -11.834 3.298 -1.720 1.00 0.00 C ATOM 684 OE1 GLU A 54 -12.291 4.438 -1.492 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.460 2.424 -2.356 1.00 0.00 O ATOM 0 H GLU A 54 -6.196 3.566 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.054 4.190 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.618 4.568 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.259 2.975 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.336 1.877 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.351 3.327 -0.179 1.00 0.00 H new ATOM 692 N ILE A 55 -8.187 1.650 0.095 1.00 0.00 N ATOM 693 CA ILE A 55 -7.881 0.307 0.572 1.00 0.00 C ATOM 694 C ILE A 55 -8.092 -0.725 -0.531 1.00 0.00 C ATOM 695 O ILE A 55 -9.009 -0.604 -1.342 1.00 0.00 O ATOM 696 CB ILE A 55 -8.750 -0.069 1.790 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.665 1.022 2.862 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.316 -1.413 2.356 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.009 1.402 3.442 1.00 0.00 C ATOM 0 H ILE A 55 -8.899 2.140 0.637 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.833 0.306 0.872 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.787 -0.152 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.014 0.680 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.200 1.909 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.939 -1.664 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.425 -2.182 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.273 -1.357 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.874 2.179 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.656 1.774 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.467 0.527 3.903 1.00 0.00 H new ATOM 711 N GLY A 56 -7.232 -1.737 -0.557 1.00 0.00 N ATOM 712 CA GLY A 56 -7.337 -2.772 -1.568 1.00 0.00 C ATOM 713 C GLY A 56 -6.211 -2.701 -2.579 1.00 0.00 C ATOM 714 O GLY A 56 -5.740 -3.726 -3.068 1.00 0.00 O ATOM 0 H GLY A 56 -6.464 -1.859 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.330 -3.750 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.293 -2.678 -2.084 1.00 0.00 H new ATOM 718 N ASP A 57 -5.776 -1.485 -2.889 1.00 0.00 N ATOM 719 CA ASP A 57 -4.694 -1.280 -3.845 1.00 0.00 C ATOM 720 C ASP A 57 -3.385 -1.844 -3.303 1.00 0.00 C ATOM 721 O ASP A 57 -3.254 -2.088 -2.103 1.00 0.00 O ATOM 722 CB ASP A 57 -4.534 0.210 -4.153 1.00 0.00 C ATOM 723 CG ASP A 57 -5.590 0.717 -5.115 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.923 -0.016 -6.070 1.00 0.00 O ATOM 725 OD2 ASP A 57 -6.082 1.847 -4.914 1.00 0.00 O ATOM 0 H ASP A 57 -6.156 -0.626 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.945 -1.807 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.589 0.778 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.545 0.387 -4.577 1.00 0.00 H new ATOM 730 N GLN A 58 -2.418 -2.053 -4.191 1.00 0.00 N ATOM 731 CA GLN A 58 -1.123 -2.592 -3.791 1.00 0.00 C ATOM 732 C GLN A 58 0.005 -1.983 -4.616 1.00 0.00 C ATOM 733 O GLN A 58 0.060 -2.153 -5.833 1.00 0.00 O ATOM 734 CB GLN A 58 -1.115 -4.115 -3.946 1.00 0.00 C ATOM 735 CG GLN A 58 -0.147 -4.816 -3.008 1.00 0.00 C ATOM 736 CD GLN A 58 1.129 -5.246 -3.703 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.155 -6.250 -4.414 1.00 0.00 O ATOM 738 NE2 GLN A 58 2.200 -4.486 -3.499 1.00 0.00 N ATOM 0 H GLN A 58 -2.506 -1.858 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.960 -2.334 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.121 -4.495 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.857 -4.366 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.100 -4.149 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.634 -5.691 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.134 -3.662 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.088 -4.727 -3.940 1.00 0.00 H new ATOM 747 N ILE A 59 0.910 -1.276 -3.943 1.00 0.00 N ATOM 748 CA ILE A 59 2.042 -0.649 -4.614 1.00 0.00 C ATOM 749 C ILE A 59 3.017 -1.707 -5.115 1.00 0.00 C ATOM 750 O ILE A 59 3.592 -2.459 -4.328 1.00 0.00 O ATOM 751 CB ILE A 59 2.786 0.323 -3.678 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.803 1.302 -3.036 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.865 1.074 -4.443 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.384 2.054 -1.856 1.00 0.00 C ATOM 0 H ILE A 59 0.880 -1.124 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 59 1.646 -0.085 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 59 3.264 -0.254 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.474 2.019 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.919 0.755 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.381 1.757 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.580 0.363 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.408 1.642 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.632 2.731 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.688 1.345 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.251 2.629 -2.182 1.00 0.00 H new ATOM 766 N VAL A 60 3.193 -1.768 -6.431 1.00 0.00 N ATOM 767 CA VAL A 60 4.089 -2.746 -7.035 1.00 0.00 C ATOM 768 C VAL A 60 5.437 -2.127 -7.404 1.00 0.00 C ATOM 769 O VAL A 60 6.420 -2.840 -7.602 1.00 0.00 O ATOM 770 CB VAL A 60 3.458 -3.380 -8.291 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.167 -4.102 -7.930 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.203 -2.325 -9.357 1.00 0.00 C ATOM 0 H VAL A 60 2.728 -1.153 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 60 4.255 -3.521 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 60 4.159 -4.109 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.734 -4.544 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.380 -4.888 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.461 -3.392 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.758 -2.794 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.523 -1.569 -8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.146 -1.855 -9.636 1.00 0.00 H new ATOM 782 N GLU A 61 5.479 -0.799 -7.498 1.00 0.00 N ATOM 783 CA GLU A 61 6.712 -0.103 -7.847 1.00 0.00 C ATOM 784 C GLU A 61 6.718 1.320 -7.295 1.00 0.00 C ATOM 785 O GLU A 61 5.669 1.949 -7.160 1.00 0.00 O ATOM 786 CB GLU A 61 6.891 -0.072 -9.367 1.00 0.00 C ATOM 787 CG GLU A 61 8.322 0.194 -9.807 1.00 0.00 C ATOM 788 CD GLU A 61 8.398 1.044 -11.060 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.877 2.179 -11.041 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.980 0.575 -12.060 1.00 0.00 O ATOM 0 H GLU A 61 4.678 -0.188 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 61 7.542 -0.648 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.563 -1.025 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.242 0.698 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.859 0.693 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.826 -0.756 -9.986 1.00 0.00 H new ATOM 797 N VAL A 62 7.910 1.821 -6.982 1.00 0.00 N ATOM 798 CA VAL A 62 8.060 3.171 -6.450 1.00 0.00 C ATOM 799 C VAL A 62 9.333 3.828 -6.972 1.00 0.00 C ATOM 800 O VAL A 62 10.414 3.639 -6.414 1.00 0.00 O ATOM 801 CB VAL A 62 8.089 3.170 -4.907 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.165 4.593 -4.368 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.871 2.445 -4.354 1.00 0.00 C ATOM 0 H VAL A 62 8.787 1.311 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 62 7.195 3.742 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 62 8.982 2.638 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.184 4.569 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.071 5.074 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.294 5.156 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.906 2.453 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.964 2.947 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.869 1.415 -4.709 1.00 0.00 H new ATOM 813 N ASN A 63 9.198 4.600 -8.045 1.00 0.00 N ATOM 814 CA ASN A 63 10.338 5.285 -8.643 1.00 0.00 C ATOM 815 C ASN A 63 11.398 4.286 -9.096 1.00 0.00 C ATOM 816 O ASN A 63 12.597 4.548 -8.990 1.00 0.00 O ATOM 817 CB ASN A 63 10.943 6.274 -7.645 1.00 0.00 C ATOM 818 CG ASN A 63 11.670 7.415 -8.329 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.102 7.293 -9.476 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.810 8.533 -7.628 1.00 0.00 N ATOM 0 H ASN A 63 8.310 4.767 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 63 9.985 5.831 -9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.152 6.678 -7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.636 5.746 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.291 9.334 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.437 8.591 -6.681 1.00 0.00 H new ATOM 827 N GLY A 64 10.948 3.142 -9.602 1.00 0.00 N ATOM 828 CA GLY A 64 11.872 2.122 -10.063 1.00 0.00 C ATOM 829 C GLY A 64 12.129 1.055 -9.017 1.00 0.00 C ATOM 830 O GLY A 64 12.400 -0.098 -9.351 1.00 0.00 O ATOM 0 H GLY A 64 9.961 2.903 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.473 1.655 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.817 2.590 -10.339 1.00 0.00 H new ATOM 834 N VAL A 65 12.043 1.442 -7.749 1.00 0.00 N ATOM 835 CA VAL A 65 12.267 0.510 -6.649 1.00 0.00 C ATOM 836 C VAL A 65 11.213 -0.591 -6.637 1.00 0.00 C ATOM 837 O VAL A 65 10.026 -0.324 -6.456 1.00 0.00 O ATOM 838 CB VAL A 65 12.254 1.233 -5.289 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.685 0.289 -4.177 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.146 2.464 -5.330 1.00 0.00 C ATOM 0 H VAL A 65 11.820 2.394 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 65 13.250 0.066 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 65 11.235 1.559 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.669 0.818 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.000 -0.558 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.695 -0.071 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.124 2.962 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.168 2.165 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.786 3.149 -6.098 1.00 0.00 H new ATOM 850 N ASP A 66 11.655 -1.830 -6.834 1.00 0.00 N ATOM 851 CA ASP A 66 10.747 -2.971 -6.846 1.00 0.00 C ATOM 852 C ASP A 66 10.110 -3.174 -5.476 1.00 0.00 C ATOM 853 O ASP A 66 10.805 -3.399 -4.485 1.00 0.00 O ATOM 854 CB ASP A 66 11.493 -4.239 -7.266 1.00 0.00 C ATOM 855 CG ASP A 66 10.552 -5.379 -7.603 1.00 0.00 C ATOM 856 OD1 ASP A 66 9.666 -5.183 -8.461 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.699 -6.467 -7.007 1.00 0.00 O ATOM 0 H ASP A 66 12.635 -2.068 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 66 9.957 -2.766 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.118 -4.020 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.160 -4.548 -6.461 1.00 0.00 H new ATOM 862 N PHE A 67 8.785 -3.092 -5.426 1.00 0.00 N ATOM 863 CA PHE A 67 8.054 -3.267 -4.176 1.00 0.00 C ATOM 864 C PHE A 67 7.538 -4.696 -4.036 1.00 0.00 C ATOM 865 O PHE A 67 6.584 -4.951 -3.299 1.00 0.00 O ATOM 866 CB PHE A 67 6.887 -2.280 -4.103 1.00 0.00 C ATOM 867 CG PHE A 67 7.172 -1.072 -3.254 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.406 -0.445 -3.310 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.205 -0.565 -2.402 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.671 0.667 -2.530 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.461 0.545 -1.620 1.00 0.00 C ATOM 872 CZ PHE A 67 7.696 1.162 -1.685 1.00 0.00 C ATOM 0 H PHE A 67 8.195 -2.905 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 67 8.742 -3.070 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.635 -1.953 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.012 -2.794 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.170 -0.828 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.238 -1.043 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.637 1.147 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.698 0.930 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.899 2.030 -1.076 1.00 0.00 H new ATOM 882 N SER A 68 8.173 -5.628 -4.741 1.00 0.00 N ATOM 883 CA SER A 68 7.775 -7.030 -4.687 1.00 0.00 C ATOM 884 C SER A 68 8.330 -7.698 -3.433 1.00 0.00 C ATOM 885 O SER A 68 7.578 -8.210 -2.605 1.00 0.00 O ATOM 886 CB SER A 68 8.263 -7.772 -5.932 1.00 0.00 C ATOM 887 OG SER A 68 7.634 -9.035 -6.053 1.00 0.00 O ATOM 0 H SER A 68 8.964 -5.437 -5.356 1.00 0.00 H new ATOM 0 HA SER A 68 6.686 -7.074 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.057 -7.174 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.344 -7.904 -5.880 1.00 0.00 H new ATOM 0 HG SER A 68 7.962 -9.488 -6.858 1.00 0.00 H new ATOM 893 N ASN A 69 9.652 -7.680 -3.300 1.00 0.00 N ATOM 894 CA ASN A 69 10.312 -8.278 -2.144 1.00 0.00 C ATOM 895 C ASN A 69 10.789 -7.198 -1.179 1.00 0.00 C ATOM 896 O ASN A 69 11.775 -7.380 -0.466 1.00 0.00 O ATOM 897 CB ASN A 69 11.495 -9.137 -2.594 1.00 0.00 C ATOM 898 CG ASN A 69 11.070 -10.530 -3.015 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.834 -11.399 -2.175 1.00 0.00 O ATOM 900 ND2 ASN A 69 10.970 -10.751 -4.320 1.00 0.00 N ATOM 0 H ASN A 69 10.287 -7.258 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 69 9.591 -8.911 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.001 -8.647 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.217 -9.210 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.688 -11.670 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.175 -10.002 -4.981 1.00 0.00 H new ATOM 907 N LEU A 70 10.082 -6.071 -1.166 1.00 0.00 N ATOM 908 CA LEU A 70 10.431 -4.958 -0.292 1.00 0.00 C ATOM 909 C LEU A 70 9.740 -5.092 1.061 1.00 0.00 C ATOM 910 O LEU A 70 8.629 -5.615 1.154 1.00 0.00 O ATOM 911 CB LEU A 70 10.043 -3.632 -0.947 1.00 0.00 C ATOM 912 CG LEU A 70 10.484 -2.379 -0.186 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.669 -1.722 -0.880 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.329 -1.396 -0.051 1.00 0.00 C ATOM 0 H LEU A 70 9.264 -5.906 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 70 11.509 -4.976 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.472 -3.600 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.960 -3.605 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 70 10.795 -2.679 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.969 -0.833 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.502 -2.423 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.386 -1.438 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.664 -0.513 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.984 -1.102 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.511 -1.868 0.493 1.00 0.00 H new ATOM 926 N ASP A 71 10.405 -4.615 2.108 1.00 0.00 N ATOM 927 CA ASP A 71 9.854 -4.679 3.457 1.00 0.00 C ATOM 928 C ASP A 71 8.891 -3.523 3.707 1.00 0.00 C ATOM 929 O ASP A 71 8.751 -2.628 2.873 1.00 0.00 O ATOM 930 CB ASP A 71 10.981 -4.652 4.491 1.00 0.00 C ATOM 931 CG ASP A 71 10.695 -5.546 5.680 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.574 -5.471 6.226 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.594 -6.324 6.068 1.00 0.00 O ATOM 0 H ASP A 71 11.326 -4.180 2.049 1.00 0.00 H new ATOM 0 HA ASP A 71 9.303 -5.614 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.911 -4.967 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.129 -3.629 4.836 1.00 0.00 H new ATOM 938 N HIS A 72 8.229 -3.551 4.859 1.00 0.00 N ATOM 939 CA HIS A 72 7.278 -2.504 5.219 1.00 0.00 C ATOM 940 C HIS A 72 7.996 -1.184 5.482 1.00 0.00 C ATOM 941 O HIS A 72 7.669 -0.158 4.884 1.00 0.00 O ATOM 942 CB HIS A 72 6.479 -2.917 6.455 1.00 0.00 C ATOM 943 CG HIS A 72 5.097 -2.344 6.493 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.212 -2.582 7.523 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.447 -1.538 5.620 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.078 -1.948 7.282 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.194 -1.308 6.134 1.00 0.00 N ATOM 0 H HIS A 72 8.333 -4.286 5.559 1.00 0.00 H new ATOM 0 HA HIS A 72 6.594 -2.365 4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.414 -4.005 6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.019 -2.602 7.348 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.403 -3.158 8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.840 -1.149 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.204 -1.953 7.917 1.00 0.00 H new ATOM 956 N LYS A 73 8.976 -1.219 6.379 1.00 0.00 N ATOM 957 CA LYS A 73 9.743 -0.026 6.721 1.00 0.00 C ATOM 958 C LYS A 73 10.384 0.585 5.480 1.00 0.00 C ATOM 959 O LYS A 73 10.433 1.806 5.332 1.00 0.00 O ATOM 960 CB LYS A 73 10.821 -0.366 7.752 1.00 0.00 C ATOM 961 CG LYS A 73 10.291 -0.485 9.171 1.00 0.00 C ATOM 962 CD LYS A 73 11.422 -0.607 10.181 1.00 0.00 C ATOM 963 CE LYS A 73 10.962 -0.239 11.583 1.00 0.00 C ATOM 964 NZ LYS A 73 11.424 -1.223 12.600 1.00 0.00 N ATOM 0 H LYS A 73 9.258 -2.060 6.882 1.00 0.00 H new ATOM 0 HA LYS A 73 9.057 0.705 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.297 -1.306 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.593 0.403 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.683 0.388 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.640 -1.356 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.804 -1.628 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.246 0.042 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.339 0.751 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.874 -0.181 11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.088 -0.933 13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.044 -2.163 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.463 -1.260 12.600 1.00 0.00 H new ATOM 978 N GLU A 74 10.871 -0.273 4.590 1.00 0.00 N ATOM 979 CA GLU A 74 11.508 0.182 3.359 1.00 0.00 C ATOM 980 C GLU A 74 10.535 1.003 2.518 1.00 0.00 C ATOM 981 O GLU A 74 10.900 2.042 1.967 1.00 0.00 O ATOM 982 CB GLU A 74 12.019 -1.013 2.552 1.00 0.00 C ATOM 983 CG GLU A 74 13.398 -1.486 2.974 1.00 0.00 C ATOM 984 CD GLU A 74 13.742 -2.853 2.416 1.00 0.00 C ATOM 985 OE1 GLU A 74 12.849 -3.726 2.388 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.905 -3.051 2.006 1.00 0.00 O ATOM 0 H GLU A 74 10.837 -1.287 4.698 1.00 0.00 H new ATOM 0 HA GLU A 74 12.353 0.816 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.314 -1.838 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.044 -0.744 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.143 -0.764 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.450 -1.518 4.062 1.00 0.00 H new ATOM 993 N ALA A 75 9.296 0.529 2.426 1.00 0.00 N ATOM 994 CA ALA A 75 8.271 1.219 1.655 1.00 0.00 C ATOM 995 C ALA A 75 8.013 2.614 2.215 1.00 0.00 C ATOM 996 O ALA A 75 7.943 3.592 1.470 1.00 0.00 O ATOM 997 CB ALA A 75 6.984 0.408 1.643 1.00 0.00 C ATOM 0 H ALA A 75 8.979 -0.330 2.876 1.00 0.00 H new ATOM 0 HA ALA A 75 8.630 1.325 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.227 0.936 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.172 -0.566 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.630 0.273 2.665 1.00 0.00 H new ATOM 1003 N VAL A 76 7.871 2.697 3.533 1.00 0.00 N ATOM 1004 CA VAL A 76 7.621 3.973 4.194 1.00 0.00 C ATOM 1005 C VAL A 76 8.848 4.876 4.128 1.00 0.00 C ATOM 1006 O VAL A 76 8.728 6.087 3.944 1.00 0.00 O ATOM 1007 CB VAL A 76 7.223 3.773 5.669 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.810 5.095 6.297 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.107 2.746 5.789 1.00 0.00 C ATOM 0 H VAL A 76 7.925 1.898 4.164 1.00 0.00 H new ATOM 0 HA VAL A 76 6.795 4.447 3.664 1.00 0.00 H new ATOM 0 HB VAL A 76 8.091 3.396 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.533 4.932 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.643 5.797 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.958 5.505 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.841 2.619 6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.235 3.089 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.445 1.793 5.383 1.00 0.00 H new ATOM 1019 N ASN A 77 10.026 4.280 4.281 1.00 0.00 N ATOM 1020 CA ASN A 77 11.274 5.035 4.242 1.00 0.00 C ATOM 1021 C ASN A 77 11.458 5.725 2.895 1.00 0.00 C ATOM 1022 O ASN A 77 11.674 6.934 2.835 1.00 0.00 O ATOM 1023 CB ASN A 77 12.463 4.112 4.527 1.00 0.00 C ATOM 1024 CG ASN A 77 13.177 4.472 5.815 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.149 5.622 6.254 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.823 3.487 6.430 1.00 0.00 N ATOM 0 H ASN A 77 10.143 3.278 4.433 1.00 0.00 H new ATOM 0 HA ASN A 77 11.226 5.803 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.114 3.081 4.584 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.168 4.164 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.321 3.670 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.820 2.548 6.031 1.00 0.00 H new ATOM 1033 N VAL A 78 11.372 4.952 1.817 1.00 0.00 N ATOM 1034 CA VAL A 78 11.530 5.503 0.475 1.00 0.00 C ATOM 1035 C VAL A 78 10.485 6.578 0.202 1.00 0.00 C ATOM 1036 O VAL A 78 10.796 7.637 -0.346 1.00 0.00 O ATOM 1037 CB VAL A 78 11.424 4.404 -0.600 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.544 3.390 -0.434 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.067 3.720 -0.538 1.00 0.00 C ATOM 0 H VAL A 78 11.195 3.948 1.845 1.00 0.00 H new ATOM 0 HA VAL A 78 12.524 5.947 0.426 1.00 0.00 H new ATOM 0 HB VAL A 78 11.524 4.871 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.455 2.621 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.507 3.892 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.475 2.930 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.013 2.948 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.933 3.266 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.281 4.455 -0.708 1.00 0.00 H new ATOM 1049 N LEU A 79 9.245 6.303 0.593 1.00 0.00 N ATOM 1050 CA LEU A 79 8.153 7.250 0.400 1.00 0.00 C ATOM 1051 C LEU A 79 8.390 8.518 1.215 1.00 0.00 C ATOM 1052 O LEU A 79 8.042 9.619 0.793 1.00 0.00 O ATOM 1053 CB LEU A 79 6.821 6.612 0.809 1.00 0.00 C ATOM 1054 CG LEU A 79 6.031 5.950 -0.324 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.372 7.003 -1.203 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.932 5.047 -1.155 1.00 0.00 C ATOM 0 H LEU A 79 8.971 5.431 1.046 1.00 0.00 H new ATOM 0 HA LEU A 79 8.113 7.516 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.017 5.864 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.195 7.380 1.264 1.00 0.00 H new ATOM 0 HG LEU A 79 5.249 5.334 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.815 6.513 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.690 7.604 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.138 7.647 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.350 4.588 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.739 5.638 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.353 4.268 -0.519 1.00 0.00 H new ATOM 1068 N LYS A 80 8.983 8.345 2.393 1.00 0.00 N ATOM 1069 CA LYS A 80 9.268 9.463 3.286 1.00 0.00 C ATOM 1070 C LYS A 80 10.567 10.172 2.906 1.00 0.00 C ATOM 1071 O LYS A 80 10.747 11.353 3.199 1.00 0.00 O ATOM 1072 CB LYS A 80 9.359 8.966 4.731 1.00 0.00 C ATOM 1073 CG LYS A 80 8.044 9.044 5.492 1.00 0.00 C ATOM 1074 CD LYS A 80 6.907 8.394 4.720 1.00 0.00 C ATOM 1075 CE LYS A 80 5.558 8.712 5.344 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.403 10.167 5.621 1.00 0.00 N ATOM 0 H LYS A 80 9.277 7.437 2.752 1.00 0.00 H new ATOM 0 HA LYS A 80 8.452 10.179 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.706 7.933 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.110 9.553 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.154 8.554 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.799 10.088 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.922 8.741 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.053 7.314 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.762 8.383 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.446 8.152 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.392 10.406 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.856 10.398 6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.853 10.715 4.860 1.00 0.00 H new ATOM 1090 N SER A 81 11.475 9.441 2.268 1.00 0.00 N ATOM 1091 CA SER A 81 12.762 10.002 1.870 1.00 0.00 C ATOM 1092 C SER A 81 12.672 10.713 0.524 1.00 0.00 C ATOM 1093 O SER A 81 12.812 11.934 0.447 1.00 0.00 O ATOM 1094 CB SER A 81 13.820 8.899 1.804 1.00 0.00 C ATOM 1095 OG SER A 81 15.112 9.415 2.077 1.00 0.00 O ATOM 0 H SER A 81 11.345 8.461 2.016 1.00 0.00 H new ATOM 0 HA SER A 81 13.049 10.738 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.579 8.116 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.810 8.439 0.816 1.00 0.00 H new ATOM 0 HG SER A 81 15.770 8.690 2.030 1.00 0.00 H new ATOM 1101 N SER A 82 12.449 9.944 -0.535 1.00 0.00 N ATOM 1102 CA SER A 82 12.355 10.498 -1.882 1.00 0.00 C ATOM 1103 C SER A 82 11.337 11.634 -1.950 1.00 0.00 C ATOM 1104 O SER A 82 11.544 12.618 -2.659 1.00 0.00 O ATOM 1105 CB SER A 82 11.976 9.404 -2.881 1.00 0.00 C ATOM 1106 OG SER A 82 12.308 8.119 -2.380 1.00 0.00 O ATOM 0 H SER A 82 12.329 8.932 -0.488 1.00 0.00 H new ATOM 0 HA SER A 82 13.334 10.902 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.907 9.452 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.493 9.574 -3.825 1.00 0.00 H new ATOM 0 HG SER A 82 11.596 7.807 -1.783 1.00 0.00 H new ATOM 1112 N ARG A 83 10.239 11.492 -1.214 1.00 0.00 N ATOM 1113 CA ARG A 83 9.190 12.507 -1.202 1.00 0.00 C ATOM 1114 C ARG A 83 8.502 12.573 -2.563 1.00 0.00 C ATOM 1115 O ARG A 83 7.364 12.127 -2.716 1.00 0.00 O ATOM 1116 CB ARG A 83 9.771 13.877 -0.835 1.00 0.00 C ATOM 1117 CG ARG A 83 8.950 14.629 0.200 1.00 0.00 C ATOM 1118 CD ARG A 83 9.732 15.784 0.805 1.00 0.00 C ATOM 1119 NE ARG A 83 10.454 16.552 -0.208 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.717 16.316 -0.565 1.00 0.00 C ATOM 1121 NH1 ARG A 83 12.410 15.338 0.007 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.290 17.064 -1.496 1.00 0.00 N ATOM 0 H ARG A 83 10.052 10.685 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 83 8.452 12.231 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.784 13.743 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.847 14.484 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.039 15.009 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.644 13.943 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.048 16.443 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.440 15.397 1.538 1.00 0.00 H new ATOM 0 HE ARG A 83 9.961 17.316 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.977 14.759 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.375 15.166 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.765 17.819 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.256 16.885 -1.771 1.00 0.00 H new ATOM 1136 N SER A 84 9.204 13.117 -3.551 1.00 0.00 N ATOM 1137 CA SER A 84 8.670 13.222 -4.903 1.00 0.00 C ATOM 1138 C SER A 84 9.032 11.978 -5.705 1.00 0.00 C ATOM 1139 O SER A 84 10.048 11.951 -6.401 1.00 0.00 O ATOM 1140 CB SER A 84 9.209 14.473 -5.597 1.00 0.00 C ATOM 1141 OG SER A 84 10.612 14.587 -5.427 1.00 0.00 O ATOM 0 H SER A 84 10.146 13.493 -3.440 1.00 0.00 H new ATOM 0 HA SER A 84 7.585 13.302 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.970 14.434 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.717 15.358 -5.192 1.00 0.00 H new ATOM 0 HG SER A 84 11.040 13.738 -5.665 1.00 0.00 H new ATOM 1147 N LEU A 85 8.205 10.945 -5.591 1.00 0.00 N ATOM 1148 CA LEU A 85 8.453 9.690 -6.294 1.00 0.00 C ATOM 1149 C LEU A 85 7.213 9.210 -7.039 1.00 0.00 C ATOM 1150 O LEU A 85 6.084 9.397 -6.580 1.00 0.00 O ATOM 1151 CB LEU A 85 8.908 8.606 -5.307 1.00 0.00 C ATOM 1152 CG LEU A 85 8.511 8.840 -3.846 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.996 8.883 -3.704 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.102 7.757 -2.955 1.00 0.00 C ATOM 0 H LEU A 85 7.359 10.951 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 85 9.241 9.875 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.497 7.649 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.993 8.521 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 85 8.912 9.803 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.733 9.050 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.596 9.694 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.572 7.936 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.811 7.938 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.730 6.782 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.189 7.774 -3.034 1.00 0.00 H new ATOM 1166 N THR A 86 7.434 8.572 -8.183 1.00 0.00 N ATOM 1167 CA THR A 86 6.342 8.039 -8.986 1.00 0.00 C ATOM 1168 C THR A 86 6.114 6.573 -8.639 1.00 0.00 C ATOM 1169 O THR A 86 6.996 5.736 -8.833 1.00 0.00 O ATOM 1170 CB THR A 86 6.653 8.185 -10.477 1.00 0.00 C ATOM 1171 OG1 THR A 86 6.920 9.536 -10.803 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.527 7.710 -11.372 1.00 0.00 C ATOM 0 H THR A 86 8.362 8.412 -8.575 1.00 0.00 H new ATOM 0 HA THR A 86 5.436 8.604 -8.766 1.00 0.00 H new ATOM 0 HB THR A 86 7.526 7.557 -10.654 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.118 9.609 -11.760 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.812 7.841 -12.416 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.329 6.656 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.628 8.291 -11.166 1.00 0.00 H new ATOM 1180 N ILE A 87 4.936 6.270 -8.110 1.00 0.00 N ATOM 1181 CA ILE A 87 4.607 4.904 -7.722 1.00 0.00 C ATOM 1182 C ILE A 87 3.540 4.304 -8.629 1.00 0.00 C ATOM 1183 O ILE A 87 2.478 4.890 -8.831 1.00 0.00 O ATOM 1184 CB ILE A 87 4.125 4.842 -6.257 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.940 5.788 -6.045 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.269 5.187 -5.311 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.550 5.965 -4.593 1.00 0.00 C ATOM 0 H ILE A 87 4.194 6.949 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 87 5.521 4.319 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 87 3.793 3.827 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.186 6.763 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.081 5.409 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.916 5.140 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.083 4.475 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.628 6.194 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.704 6.649 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.272 4.999 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.393 6.375 -4.037 1.00 0.00 H new ATOM 1199 N SER A 88 3.836 3.125 -9.171 1.00 0.00 N ATOM 1200 CA SER A 88 2.906 2.433 -10.054 1.00 0.00 C ATOM 1201 C SER A 88 2.137 1.363 -9.289 1.00 0.00 C ATOM 1202 O SER A 88 2.692 0.328 -8.921 1.00 0.00 O ATOM 1203 CB SER A 88 3.659 1.800 -11.227 1.00 0.00 C ATOM 1204 OG SER A 88 3.052 2.133 -12.464 1.00 0.00 O ATOM 0 H SER A 88 4.714 2.630 -9.013 1.00 0.00 H new ATOM 0 HA SER A 88 2.195 3.162 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.695 2.140 -11.224 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.679 0.717 -11.108 1.00 0.00 H new ATOM 0 HG SER A 88 3.553 1.718 -13.197 1.00 0.00 H new ATOM 1210 N ILE A 89 0.857 1.621 -9.047 1.00 0.00 N ATOM 1211 CA ILE A 89 0.014 0.680 -8.320 1.00 0.00 C ATOM 1212 C ILE A 89 -1.001 0.021 -9.246 1.00 0.00 C ATOM 1213 O ILE A 89 -1.487 0.636 -10.196 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.725 1.381 -7.159 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.703 0.415 -6.470 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.446 2.624 -7.663 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.111 0.443 -7.033 1.00 0.00 C ATOM 0 H ILE A 89 0.381 2.473 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 89 0.668 -0.090 -7.910 1.00 0.00 H new ATOM 0 HB ILE A 89 0.012 1.691 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.312 -0.599 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.745 0.655 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.962 3.107 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.721 3.316 -8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.171 2.340 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.734 -0.267 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.526 1.445 -6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.086 0.171 -8.088 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.324 -1.233 -8.954 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.290 -1.983 -9.747 1.00 0.00 C ATOM 1231 C VAL A 90 -3.576 -2.194 -8.954 1.00 0.00 C ATOM 1232 O VAL A 90 -3.544 -2.631 -7.804 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.720 -3.351 -10.200 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -0.826 -3.948 -9.125 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -2.836 -4.320 -10.575 1.00 0.00 C ATOM 0 H VAL A 90 -0.929 -1.754 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.507 -1.397 -10.640 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.115 -3.179 -11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.438 -4.908 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.005 -3.271 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.403 -4.094 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.403 -5.270 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.482 -4.483 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.422 -3.901 -11.393 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.703 -1.874 -9.576 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.999 -2.019 -8.929 1.00 0.00 C ATOM 1247 C ALA A 91 -6.372 -3.486 -8.752 1.00 0.00 C ATOM 1248 O ALA A 91 -6.306 -4.274 -9.695 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.070 -1.294 -9.731 1.00 0.00 C ATOM 0 H ALA A 91 -4.745 -1.512 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.931 -1.571 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.035 -1.410 -9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.821 -0.235 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.123 -1.718 -10.734 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.779 -3.836 -7.531 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.192 -5.200 -7.195 1.00 0.00 C ATOM 1257 C ALA A 92 -6.015 -6.080 -6.775 1.00 0.00 C ATOM 1258 O ALA A 92 -6.215 -7.129 -6.162 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.948 -5.844 -8.348 1.00 0.00 C ATOM 0 H ALA A 92 -6.832 -3.184 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.860 -5.119 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.242 -6.856 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.838 -5.256 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.306 -5.882 -9.228 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.790 -5.662 -7.091 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.611 -6.439 -6.721 1.00 0.00 C ATOM 1267 C ALA A 93 -3.585 -6.726 -5.220 1.00 0.00 C ATOM 1268 O ALA A 93 -2.921 -7.659 -4.767 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.346 -5.707 -7.139 1.00 0.00 C ATOM 0 H ALA A 93 -4.590 -4.799 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.659 -7.394 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.474 -6.297 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.351 -5.560 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.305 -4.738 -6.641 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.311 -5.914 -4.455 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.363 -6.087 -3.014 1.00 0.00 C ATOM 1277 C GLY A 94 -5.734 -6.513 -2.524 1.00 0.00 C ATOM 1278 O GLY A 94 -5.853 -7.202 -1.512 1.00 0.00 O ATOM 0 H GLY A 94 -4.866 -5.136 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.627 -6.833 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.083 -5.151 -2.530 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.773 -6.081 -3.234 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.148 -6.399 -2.856 1.00 0.00 C ATOM 1284 C ARG A 95 -8.364 -7.907 -2.759 1.00 0.00 C ATOM 1285 O ARG A 95 -9.130 -8.375 -1.916 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.127 -5.786 -3.869 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.380 -6.650 -5.098 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.446 -6.047 -6.000 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.145 -4.664 -6.372 1.00 0.00 N ATOM 1290 CZ ARG A 95 -10.688 -4.043 -7.418 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.564 -4.672 -8.192 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -10.356 -2.788 -7.687 1.00 0.00 N ATOM 0 H ARG A 95 -6.689 -5.510 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.335 -5.971 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.077 -5.598 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.740 -4.820 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.452 -6.766 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.690 -7.647 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.539 -6.651 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.410 -6.082 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.481 -4.145 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.825 -5.637 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.976 -4.191 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.686 -2.299 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.771 -2.311 -8.488 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.692 -8.663 -3.619 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.821 -10.118 -3.616 1.00 0.00 C ATOM 1308 C GLU A 96 -7.646 -10.673 -2.205 1.00 0.00 C ATOM 1309 O GLU A 96 -8.469 -11.454 -1.726 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.791 -10.745 -4.557 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.960 -12.245 -4.733 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.004 -12.823 -5.758 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -6.163 -12.516 -6.957 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -5.098 -13.585 -5.359 1.00 0.00 O ATOM 0 H GLU A 96 -7.054 -8.296 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.821 -10.372 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.862 -10.263 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.791 -10.543 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.802 -12.740 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.985 -12.458 -5.037 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.572 -10.255 -1.544 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.289 -10.699 -0.184 1.00 0.00 C ATOM 1323 C LEU A 97 -7.266 -10.070 0.805 1.00 0.00 C ATOM 1324 O LEU A 97 -7.749 -10.732 1.724 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.852 -10.342 0.203 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.797 -10.666 -0.857 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.457 -10.055 -0.480 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.668 -12.170 -1.038 1.00 0.00 C ATOM 0 H LEU A 97 -5.883 -9.609 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.408 -11.782 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.806 -9.276 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.597 -10.871 1.121 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.116 -10.233 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.719 -10.296 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.560 -8.973 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.130 -10.458 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.913 -12.382 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.372 -12.626 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.626 -12.582 -1.355 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.546 -8.783 0.612 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.460 -8.054 1.486 1.00 0.00 C ATOM 1342 C PHE A 98 -9.828 -8.732 1.552 1.00 0.00 C ATOM 1343 O PHE A 98 -10.578 -8.538 2.508 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.613 -6.610 1.004 1.00 0.00 C ATOM 1345 CG PHE A 98 -8.050 -5.597 1.960 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.750 -5.238 3.101 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.820 -5.006 1.719 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -8.233 -4.307 3.983 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.299 -4.075 2.597 1.00 0.00 C ATOM 1350 CZ PHE A 98 -7.006 -3.725 3.731 1.00 0.00 C ATOM 0 H PHE A 98 -7.152 -8.223 -0.144 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.035 -8.055 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.117 -6.503 0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.670 -6.399 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.710 -5.690 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.262 -5.276 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.788 -4.035 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.340 -3.621 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.600 -2.998 4.419 1.00 0.00 H new ATOM 1360 N MET A 99 -10.147 -9.523 0.532 1.00 0.00 N ATOM 1361 CA MET A 99 -11.427 -10.224 0.480 1.00 0.00 C ATOM 1362 C MET A 99 -11.593 -11.143 1.687 1.00 0.00 C ATOM 1363 O MET A 99 -11.265 -12.328 1.626 1.00 0.00 O ATOM 1364 CB MET A 99 -11.538 -11.031 -0.813 1.00 0.00 C ATOM 1365 CG MET A 99 -11.882 -10.185 -2.029 1.00 0.00 C ATOM 1366 SD MET A 99 -12.026 -11.161 -3.538 1.00 0.00 S ATOM 1367 CE MET A 99 -13.018 -10.069 -4.554 1.00 0.00 C ATOM 0 H MET A 99 -9.539 -9.695 -0.268 1.00 0.00 H new ATOM 0 HA MET A 99 -12.223 -9.480 0.502 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.594 -11.545 -0.993 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.301 -11.800 -0.688 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.821 -9.662 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.114 -9.424 -2.166 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.194 -10.534 -5.524 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.973 -9.883 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.492 -9.125 -4.694 1.00 0.00 H new ATOM 1377 N THR A 100 -12.104 -10.586 2.783 1.00 0.00 N ATOM 1378 CA THR A 100 -12.316 -11.351 4.008 1.00 0.00 C ATOM 1379 C THR A 100 -12.832 -10.451 5.128 1.00 0.00 C ATOM 1380 O THR A 100 -13.631 -10.880 5.962 1.00 0.00 O ATOM 1381 CB THR A 100 -11.017 -12.031 4.447 1.00 0.00 C ATOM 1382 OG1 THR A 100 -11.161 -12.605 5.735 1.00 0.00 O ATOM 1383 CG2 THR A 100 -9.834 -11.087 4.494 1.00 0.00 C ATOM 0 H THR A 100 -12.379 -9.606 2.847 1.00 0.00 H new ATOM 0 HA THR A 100 -13.065 -12.115 3.801 1.00 0.00 H new ATOM 0 HB THR A 100 -10.822 -12.795 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.321 -13.036 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.946 -11.632 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.665 -10.666 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.038 -10.282 5.200 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -0.454 -14.438 13.192 1.00 0.00 N ATOM 1393 CA THR B 111 -0.531 -13.082 13.723 1.00 0.00 C ATOM 1394 C THR B 111 -1.064 -12.112 12.672 1.00 0.00 C ATOM 1395 O THR B 111 -0.850 -12.302 11.476 1.00 0.00 O ATOM 1396 CB THR B 111 0.848 -12.626 14.204 1.00 0.00 C ATOM 1397 OG1 THR B 111 1.738 -12.491 13.111 1.00 0.00 O ATOM 1398 CG2 THR B 111 1.481 -13.577 15.197 1.00 0.00 C ATOM 0 HA THR B 111 -1.222 -13.086 14.566 1.00 0.00 H new ATOM 0 HB THR B 111 0.681 -11.670 14.699 1.00 0.00 H new ATOM 0 HG1 THR B 111 1.512 -13.150 12.422 1.00 0.00 H new ATOM 0 HG21 THR B 111 2.456 -13.194 15.497 1.00 0.00 H new ATOM 0 HG22 THR B 111 0.841 -13.666 16.075 1.00 0.00 H new ATOM 0 HG23 THR B 111 1.602 -14.557 14.736 1.00 0.00 H new ATOM 1406 N PRO B 112 -1.769 -11.053 13.109 1.00 0.00 N ATOM 1407 CA PRO B 112 -2.332 -10.051 12.199 1.00 0.00 C ATOM 1408 C PRO B 112 -1.278 -9.446 11.277 1.00 0.00 C ATOM 1409 O PRO B 112 -0.148 -9.930 11.209 1.00 0.00 O ATOM 1410 CB PRO B 112 -2.891 -8.980 13.143 1.00 0.00 C ATOM 1411 CG PRO B 112 -3.135 -9.694 14.427 1.00 0.00 C ATOM 1412 CD PRO B 112 -2.071 -10.752 14.521 1.00 0.00 C ATOM 0 HA PRO B 112 -3.079 -10.484 11.534 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -2.184 -8.161 13.274 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -3.811 -8.548 12.750 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -3.079 -9.008 15.272 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -4.130 -10.139 14.443 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -1.191 -10.391 15.053 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -2.426 -11.634 15.054 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.655 -8.385 10.572 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.742 -7.712 9.655 1.00 0.00 C ATOM 1422 C LEU B 113 -0.404 -6.311 10.156 1.00 0.00 C ATOM 1423 O LEU B 113 -1.264 -5.605 10.683 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.356 -7.630 8.256 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.771 -8.973 7.652 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.767 -8.764 6.521 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.551 -9.733 7.156 1.00 0.00 C ATOM 0 H LEU B 113 -2.587 -7.972 10.618 1.00 0.00 H new ATOM 0 HA LEU B 113 0.178 -8.295 9.606 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.231 -6.981 8.297 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.638 -7.155 7.588 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.253 -9.566 8.429 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.051 -9.730 6.103 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.654 -8.260 6.906 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.311 -8.152 5.743 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.864 -10.686 6.730 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.041 -9.144 6.393 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.128 -9.914 7.989 1.00 0.00 H new ATOM 1439 N GLU B 114 0.855 -5.916 9.993 1.00 0.00 N ATOM 1440 CA GLU B 114 1.305 -4.601 10.429 1.00 0.00 C ATOM 1441 C GLU B 114 0.859 -3.518 9.453 1.00 0.00 C ATOM 1442 O GLU B 114 0.854 -3.724 8.239 1.00 0.00 O ATOM 1443 CB GLU B 114 2.829 -4.581 10.568 1.00 0.00 C ATOM 1444 CG GLU B 114 3.369 -5.656 11.496 1.00 0.00 C ATOM 1445 CD GLU B 114 2.832 -5.530 12.908 1.00 0.00 C ATOM 1446 OE1 GLU B 114 3.262 -4.604 13.626 1.00 0.00 O ATOM 1447 OE2 GLU B 114 1.981 -6.359 13.296 1.00 0.00 O ATOM 0 H GLU B 114 1.581 -6.489 9.562 1.00 0.00 H new ATOM 0 HA GLU B 114 0.854 -4.396 11.400 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.277 -4.705 9.582 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.139 -3.604 10.938 1.00 0.00 H new ATOM 0 HG2 GLU B 114 3.110 -6.637 11.099 1.00 0.00 H new ATOM 0 HG3 GLU B 114 4.457 -5.598 11.518 1.00 0.00 H new ATOM 1454 N ILE B 115 0.485 -2.361 9.990 1.00 0.00 N ATOM 1455 CA ILE B 115 0.037 -1.244 9.168 1.00 0.00 C ATOM 1456 C ILE B 115 0.725 0.053 9.581 1.00 0.00 C ATOM 1457 O ILE B 115 0.943 0.302 10.766 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.489 -1.055 9.257 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.204 -2.389 9.042 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.957 -0.025 8.238 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.713 -2.288 9.129 1.00 0.00 C ATOM 0 H ILE B 115 0.484 -2.173 10.993 1.00 0.00 H new ATOM 0 HA ILE B 115 0.305 -1.482 8.139 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.737 -0.689 10.253 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.930 -2.785 8.064 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.852 -3.104 9.785 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.038 0.097 8.314 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.469 0.930 8.435 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.700 -0.363 7.234 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.153 -3.272 8.967 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.997 -1.922 10.116 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.076 -1.598 8.368 1.00 0.00 H new ATOM 1473 N THR B 116 1.067 0.876 8.593 1.00 0.00 N ATOM 1474 CA THR B 116 1.733 2.148 8.853 1.00 0.00 C ATOM 1475 C THR B 116 0.890 3.316 8.350 1.00 0.00 C ATOM 1476 O THR B 116 0.128 3.176 7.392 1.00 0.00 O ATOM 1477 CB THR B 116 3.109 2.172 8.186 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.870 1.039 8.566 1.00 0.00 O ATOM 1479 CG2 THR B 116 3.918 3.404 8.526 1.00 0.00 C ATOM 0 H THR B 116 0.894 0.685 7.606 1.00 0.00 H new ATOM 0 HA THR B 116 1.858 2.251 9.931 1.00 0.00 H new ATOM 0 HB THR B 116 2.910 2.173 7.114 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.746 1.071 8.128 1.00 0.00 H new ATOM 0 HG21 THR B 116 4.882 3.357 8.020 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.380 4.294 8.200 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.075 3.450 9.604 1.00 0.00 H new ATOM 1487 N GLU B 117 1.032 4.467 9.000 1.00 0.00 N ATOM 1488 CA GLU B 117 0.284 5.658 8.616 1.00 0.00 C ATOM 1489 C GLU B 117 1.188 6.668 7.918 1.00 0.00 C ATOM 1490 O GLU B 117 2.214 7.078 8.460 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.361 6.299 9.847 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.669 5.643 10.259 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.608 5.035 11.647 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.072 3.915 11.781 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.094 5.679 12.599 1.00 0.00 O ATOM 0 H GLU B 117 1.658 4.600 9.794 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.498 5.356 7.919 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.339 6.250 10.681 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.542 7.355 9.644 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.468 6.384 10.226 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.924 4.867 9.538 1.00 0.00 H new ATOM 1502 N LEU B 118 0.799 7.066 6.711 1.00 0.00 N ATOM 1503 CA LEU B 118 1.573 8.029 5.934 1.00 0.00 C ATOM 1504 C LEU B 118 0.771 9.305 5.699 1.00 0.00 C ATOM 1505 O LEU B 118 -0.464 9.268 5.879 1.00 0.00 O ATOM 1506 CB LEU B 118 1.991 7.421 4.594 1.00 0.00 C ATOM 1507 CG LEU B 118 2.384 5.943 4.646 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.644 5.411 3.246 1.00 0.00 C ATOM 1509 CD2 LEU B 118 3.607 5.749 5.530 1.00 0.00 C ATOM 1510 OXT LEU B 118 1.387 10.331 5.336 1.00 0.00 O ATOM 0 H LEU B 118 -0.048 6.736 6.249 1.00 0.00 H new ATOM 0 HA LEU B 118 2.468 8.281 6.503 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.169 7.538 3.888 1.00 0.00 H new ATOM 0 HB3 LEU B 118 2.833 7.991 4.201 1.00 0.00 H new ATOM 0 HG LEU B 118 1.556 5.380 5.077 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.922 4.359 3.303 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.742 5.516 2.644 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.455 5.976 2.787 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.873 4.692 5.556 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.441 6.324 5.128 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.384 6.092 6.540 1.00 0.00 H new TER 1522 LEU B 118