USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 478 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 10 LYS NZ :NH3+ 178:sc=-0.00306 (180deg=0) USER MOD Set 1.2: A 14 MET CE :methyl -121:sc= -0.0336 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.35! C(o=-2.4!,f=-7!) USER MOD Single : A 27 CYS SG : rot 120:sc= -0.434 USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= -0.103 (180deg=-1.37) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.0415 (180deg=-0.306) USER MOD Single : A 33 THR OG1 : rot -108:sc= -1.5 USER MOD Single : A 34 CYS SG : rot 97:sc= -2.63 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0599 (180deg=-0.423) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.02! C(o=-2!,f=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc=-0.00532 (180deg=-0.125) USER MOD Single : A 50 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -60:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.836 3.866 8.383 1.00 0.00 N ATOM 2 CA GLY A 1 26.709 4.485 9.055 1.00 0.00 C ATOM 3 C GLY A 1 26.218 5.727 8.340 1.00 0.00 C ATOM 4 O GLY A 1 26.101 6.794 8.943 1.00 0.00 O ATOM 0 H1 GLY A 1 28.134 3.021 8.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.557 3.591 7.419 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.626 4.541 8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.894 3.765 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.996 4.746 10.074 1.00 0.00 H new ATOM 8 N SER A 2 25.931 5.591 7.049 1.00 0.00 N ATOM 9 CA SER A 2 25.456 6.713 6.248 1.00 0.00 C ATOM 10 C SER A 2 24.512 6.235 5.149 1.00 0.00 C ATOM 11 O SER A 2 24.707 5.167 4.570 1.00 0.00 O ATOM 12 CB SER A 2 26.637 7.464 5.631 1.00 0.00 C ATOM 13 OG SER A 2 27.333 6.647 4.705 1.00 0.00 O ATOM 0 H SER A 2 26.019 4.714 6.535 1.00 0.00 H new ATOM 0 HA SER A 2 24.908 7.389 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.279 8.363 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.318 7.788 6.418 1.00 0.00 H new ATOM 0 HG SER A 2 28.082 7.150 4.323 1.00 0.00 H new ATOM 19 N SER A 3 23.488 7.035 4.868 1.00 0.00 N ATOM 20 CA SER A 3 22.511 6.693 3.841 1.00 0.00 C ATOM 21 C SER A 3 21.705 7.921 3.428 1.00 0.00 C ATOM 22 O SER A 3 21.222 8.673 4.273 1.00 0.00 O ATOM 23 CB SER A 3 21.570 5.598 4.347 1.00 0.00 C ATOM 24 OG SER A 3 21.093 4.801 3.277 1.00 0.00 O ATOM 0 H SER A 3 23.314 7.924 5.337 1.00 0.00 H new ATOM 0 HA SER A 3 23.051 6.324 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.093 4.969 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.728 6.051 4.871 1.00 0.00 H new ATOM 0 HG SER A 3 20.495 4.108 3.627 1.00 0.00 H new ATOM 30 N GLY A 4 21.564 8.116 2.120 1.00 0.00 N ATOM 31 CA GLY A 4 20.817 9.254 1.616 1.00 0.00 C ATOM 32 C GLY A 4 19.633 8.838 0.765 1.00 0.00 C ATOM 33 O GLY A 4 18.558 9.431 0.854 1.00 0.00 O ATOM 0 H GLY A 4 21.954 7.507 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.465 9.854 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.480 9.888 1.027 1.00 0.00 H new ATOM 37 N SER A 5 19.831 7.818 -0.063 1.00 0.00 N ATOM 38 CA SER A 5 18.773 7.328 -0.938 1.00 0.00 C ATOM 39 C SER A 5 18.154 6.050 -0.379 1.00 0.00 C ATOM 40 O SER A 5 18.707 5.423 0.525 1.00 0.00 O ATOM 41 CB SER A 5 19.322 7.070 -2.343 1.00 0.00 C ATOM 42 OG SER A 5 20.331 6.075 -2.321 1.00 0.00 O ATOM 0 H SER A 5 20.714 7.315 -0.146 1.00 0.00 H new ATOM 0 HA SER A 5 17.998 8.093 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.512 6.757 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.727 7.995 -2.754 1.00 0.00 H new ATOM 0 HG SER A 5 20.664 5.927 -3.231 1.00 0.00 H new ATOM 48 N SER A 6 17.003 5.670 -0.924 1.00 0.00 N ATOM 49 CA SER A 6 16.306 4.469 -0.479 1.00 0.00 C ATOM 50 C SER A 6 15.826 4.622 0.962 1.00 0.00 C ATOM 51 O SER A 6 15.956 3.706 1.772 1.00 0.00 O ATOM 52 CB SER A 6 17.221 3.249 -0.596 1.00 0.00 C ATOM 53 OG SER A 6 16.470 2.067 -0.811 1.00 0.00 O ATOM 0 H SER A 6 16.533 6.176 -1.675 1.00 0.00 H new ATOM 0 HA SER A 6 15.437 4.325 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.921 3.393 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.814 3.147 0.313 1.00 0.00 H new ATOM 0 HG SER A 6 17.078 1.302 -0.884 1.00 0.00 H new ATOM 59 N GLY A 7 15.271 5.790 1.273 1.00 0.00 N ATOM 60 CA GLY A 7 14.780 6.044 2.615 1.00 0.00 C ATOM 61 C GLY A 7 13.275 5.900 2.718 1.00 0.00 C ATOM 62 O GLY A 7 12.658 5.176 1.937 1.00 0.00 O ATOM 0 H GLY A 7 15.153 6.564 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.257 5.353 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.067 7.050 2.919 1.00 0.00 H new ATOM 66 N SER A 8 12.681 6.592 3.686 1.00 0.00 N ATOM 67 CA SER A 8 11.239 6.534 3.893 1.00 0.00 C ATOM 68 C SER A 8 10.501 7.271 2.780 1.00 0.00 C ATOM 69 O SER A 8 10.897 8.364 2.374 1.00 0.00 O ATOM 70 CB SER A 8 10.872 7.137 5.250 1.00 0.00 C ATOM 71 OG SER A 8 11.190 8.517 5.298 1.00 0.00 O ATOM 0 H SER A 8 13.177 7.199 4.339 1.00 0.00 H new ATOM 0 HA SER A 8 10.936 5.487 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.807 6.999 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.405 6.610 6.042 1.00 0.00 H new ATOM 0 HG SER A 8 10.944 8.879 6.175 1.00 0.00 H new ATOM 77 N SER A 9 9.424 6.665 2.290 1.00 0.00 N ATOM 78 CA SER A 9 8.631 7.261 1.221 1.00 0.00 C ATOM 79 C SER A 9 7.536 8.157 1.791 1.00 0.00 C ATOM 80 O SER A 9 6.361 7.790 1.805 1.00 0.00 O ATOM 81 CB SER A 9 8.009 6.169 0.349 1.00 0.00 C ATOM 82 OG SER A 9 9.001 5.291 -0.154 1.00 0.00 O ATOM 0 H SER A 9 9.081 5.762 2.616 1.00 0.00 H new ATOM 0 HA SER A 9 9.294 7.872 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.281 5.605 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.469 6.625 -0.480 1.00 0.00 H new ATOM 0 HG SER A 9 8.578 4.601 -0.707 1.00 0.00 H new ATOM 88 N LYS A 10 7.931 9.336 2.262 1.00 0.00 N ATOM 89 CA LYS A 10 6.985 10.287 2.833 1.00 0.00 C ATOM 90 C LYS A 10 6.136 10.932 1.742 1.00 0.00 C ATOM 91 O LYS A 10 4.944 10.652 1.626 1.00 0.00 O ATOM 92 CB LYS A 10 7.730 11.368 3.620 1.00 0.00 C ATOM 93 CG LYS A 10 6.946 11.908 4.804 1.00 0.00 C ATOM 94 CD LYS A 10 6.001 13.021 4.386 1.00 0.00 C ATOM 95 CE LYS A 10 4.624 12.479 4.030 1.00 0.00 C ATOM 96 NZ LYS A 10 3.718 12.450 5.211 1.00 0.00 N ATOM 0 H LYS A 10 8.900 9.655 2.259 1.00 0.00 H new ATOM 0 HA LYS A 10 6.325 9.743 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.675 10.959 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.972 12.192 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.377 11.100 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.637 12.281 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.910 13.746 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.417 13.551 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.182 13.096 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.724 11.472 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.780 12.107 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.111 11.814 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.629 13.409 5.604 1.00 0.00 H new ATOM 110 N GLU A 11 6.759 11.795 0.946 1.00 0.00 N ATOM 111 CA GLU A 11 6.060 12.478 -0.136 1.00 0.00 C ATOM 112 C GLU A 11 5.167 11.508 -0.905 1.00 0.00 C ATOM 113 O GLU A 11 3.984 11.773 -1.120 1.00 0.00 O ATOM 114 CB GLU A 11 7.062 13.132 -1.089 1.00 0.00 C ATOM 115 CG GLU A 11 6.412 13.985 -2.165 1.00 0.00 C ATOM 116 CD GLU A 11 7.332 14.240 -3.343 1.00 0.00 C ATOM 117 OE1 GLU A 11 8.565 14.245 -3.143 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.819 14.434 -4.465 1.00 0.00 O ATOM 0 H GLU A 11 7.746 12.038 1.030 1.00 0.00 H new ATOM 0 HA GLU A 11 5.431 13.252 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.748 13.751 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.659 12.354 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.506 13.491 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.108 14.939 -1.733 1.00 0.00 H new ATOM 125 N LEU A 12 5.743 10.384 -1.316 1.00 0.00 N ATOM 126 CA LEU A 12 5.002 9.373 -2.062 1.00 0.00 C ATOM 127 C LEU A 12 3.827 8.846 -1.245 1.00 0.00 C ATOM 128 O LEU A 12 2.708 8.733 -1.747 1.00 0.00 O ATOM 129 CB LEU A 12 5.926 8.219 -2.452 1.00 0.00 C ATOM 130 CG LEU A 12 6.705 8.393 -3.756 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.797 8.165 -4.955 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.337 9.776 -3.819 1.00 0.00 C ATOM 0 H LEU A 12 6.721 10.150 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 12 4.611 9.838 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.640 8.063 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.328 7.311 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 12 7.502 7.649 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.369 8.293 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.392 7.154 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.979 8.885 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.887 9.882 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.557 10.535 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.020 9.902 -2.979 1.00 0.00 H new ATOM 144 N LEU A 13 4.088 8.526 0.018 1.00 0.00 N ATOM 145 CA LEU A 13 3.052 8.013 0.907 1.00 0.00 C ATOM 146 C LEU A 13 1.812 8.901 0.869 1.00 0.00 C ATOM 147 O LEU A 13 0.689 8.412 0.762 1.00 0.00 O ATOM 148 CB LEU A 13 3.582 7.918 2.339 1.00 0.00 C ATOM 149 CG LEU A 13 2.526 7.793 3.438 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.126 6.339 3.632 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.042 8.385 4.742 1.00 0.00 C ATOM 0 H LEU A 13 5.008 8.613 0.449 1.00 0.00 H new ATOM 0 HA LEU A 13 2.773 7.017 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.247 7.057 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.185 8.803 2.541 1.00 0.00 H new ATOM 0 HG LEU A 13 1.642 8.353 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.374 6.270 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.715 5.947 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.002 5.755 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.278 8.288 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.941 7.853 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.277 9.439 4.595 1.00 0.00 H new ATOM 163 N MET A 14 2.026 10.210 0.957 1.00 0.00 N ATOM 164 CA MET A 14 0.926 11.167 0.929 1.00 0.00 C ATOM 165 C MET A 14 0.024 10.923 -0.276 1.00 0.00 C ATOM 166 O MET A 14 -1.193 11.093 -0.198 1.00 0.00 O ATOM 167 CB MET A 14 1.468 12.598 0.894 1.00 0.00 C ATOM 168 CG MET A 14 2.026 13.069 2.227 1.00 0.00 C ATOM 169 SD MET A 14 0.761 13.774 3.300 1.00 0.00 S ATOM 170 CE MET A 14 1.752 14.860 4.324 1.00 0.00 C ATOM 0 H MET A 14 2.950 10.632 1.048 1.00 0.00 H new ATOM 0 HA MET A 14 0.336 11.032 1.835 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.251 12.663 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.670 13.273 0.585 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.501 12.229 2.735 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.802 13.814 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.642 14.574 5.370 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.799 14.778 4.034 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.418 15.889 4.192 1.00 0.00 H new ATOM 180 N LYS A 15 0.627 10.525 -1.391 1.00 0.00 N ATOM 181 CA LYS A 15 -0.122 10.256 -2.613 1.00 0.00 C ATOM 182 C LYS A 15 -0.882 8.938 -2.507 1.00 0.00 C ATOM 183 O LYS A 15 -2.096 8.891 -2.708 1.00 0.00 O ATOM 184 CB LYS A 15 0.823 10.217 -3.816 1.00 0.00 C ATOM 185 CG LYS A 15 1.045 11.575 -4.459 1.00 0.00 C ATOM 186 CD LYS A 15 1.995 11.483 -5.641 1.00 0.00 C ATOM 187 CE LYS A 15 1.265 11.083 -6.914 1.00 0.00 C ATOM 188 NZ LYS A 15 0.567 12.241 -7.540 1.00 0.00 N ATOM 0 H LYS A 15 1.633 10.381 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.844 11.061 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.784 9.813 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.420 9.533 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.090 11.983 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.448 12.267 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.487 12.444 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.777 10.755 -5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.977 10.661 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.540 10.301 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.082 11.928 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.130 12.628 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.262 12.977 -7.780 1.00 0.00 H new ATOM 202 N LEU A 16 -0.160 7.869 -2.189 1.00 0.00 N ATOM 203 CA LEU A 16 -0.767 6.549 -2.054 1.00 0.00 C ATOM 204 C LEU A 16 -1.918 6.578 -1.054 1.00 0.00 C ATOM 205 O LEU A 16 -2.949 5.937 -1.259 1.00 0.00 O ATOM 206 CB LEU A 16 0.281 5.526 -1.613 1.00 0.00 C ATOM 207 CG LEU A 16 -0.218 4.095 -1.415 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.541 3.453 -2.756 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.813 3.269 -0.661 1.00 0.00 C ATOM 0 H LEU A 16 0.846 7.890 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.163 6.258 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.080 5.511 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.722 5.868 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.131 4.128 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.895 2.435 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.316 4.031 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.356 3.432 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.440 2.253 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.744 3.243 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.995 3.718 0.315 1.00 0.00 H new ATOM 221 N ARG A 17 -1.736 7.328 0.029 1.00 0.00 N ATOM 222 CA ARG A 17 -2.760 7.442 1.060 1.00 0.00 C ATOM 223 C ARG A 17 -4.146 7.580 0.438 1.00 0.00 C ATOM 224 O ARG A 17 -5.046 6.788 0.720 1.00 0.00 O ATOM 225 CB ARG A 17 -2.472 8.643 1.963 1.00 0.00 C ATOM 226 CG ARG A 17 -3.626 9.000 2.886 1.00 0.00 C ATOM 227 CD ARG A 17 -3.186 9.958 3.983 1.00 0.00 C ATOM 228 NE ARG A 17 -4.320 10.483 4.738 1.00 0.00 N ATOM 229 CZ ARG A 17 -4.244 11.544 5.534 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.095 12.190 5.676 1.00 0.00 N ATOM 231 NH2 ARG A 17 -5.320 11.962 6.188 1.00 0.00 N ATOM 0 H ARG A 17 -0.889 7.865 0.214 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.740 6.532 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.588 8.431 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.235 9.506 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.430 9.453 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.029 8.092 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.505 9.444 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.631 10.785 3.541 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.219 10.010 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.266 11.873 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.040 13.004 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.206 11.469 6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.261 12.777 6.799 1.00 0.00 H new ATOM 245 N ARG A 18 -4.310 8.590 -0.409 1.00 0.00 N ATOM 246 CA ARG A 18 -5.587 8.833 -1.070 1.00 0.00 C ATOM 247 C ARG A 18 -5.799 7.853 -2.220 1.00 0.00 C ATOM 248 O ARG A 18 -6.913 7.381 -2.450 1.00 0.00 O ATOM 249 CB ARG A 18 -5.650 10.270 -1.592 1.00 0.00 C ATOM 250 CG ARG A 18 -4.564 10.598 -2.604 1.00 0.00 C ATOM 251 CD ARG A 18 -4.813 11.941 -3.272 1.00 0.00 C ATOM 252 NE ARG A 18 -5.773 11.837 -4.368 1.00 0.00 N ATOM 253 CZ ARG A 18 -6.429 12.877 -4.871 1.00 0.00 C ATOM 254 NH1 ARG A 18 -6.229 14.092 -4.380 1.00 0.00 N ATOM 255 NH2 ARG A 18 -7.286 12.702 -5.869 1.00 0.00 N ATOM 0 H ARG A 18 -3.575 9.253 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.381 8.684 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.625 10.439 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.570 10.957 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.594 10.612 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.523 9.816 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.183 12.651 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.871 12.337 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.949 10.916 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.570 14.230 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.734 14.889 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.441 11.769 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.789 13.501 -6.255 1.00 0.00 H new ATOM 269 N LYS A 19 -4.724 7.551 -2.939 1.00 0.00 N ATOM 270 CA LYS A 19 -4.791 6.627 -4.065 1.00 0.00 C ATOM 271 C LYS A 19 -5.559 5.364 -3.688 1.00 0.00 C ATOM 272 O LYS A 19 -6.360 4.854 -4.472 1.00 0.00 O ATOM 273 CB LYS A 19 -3.381 6.258 -4.533 1.00 0.00 C ATOM 274 CG LYS A 19 -3.314 5.840 -5.992 1.00 0.00 C ATOM 275 CD LYS A 19 -1.953 6.144 -6.597 1.00 0.00 C ATOM 276 CE LYS A 19 -1.672 5.264 -7.805 1.00 0.00 C ATOM 277 NZ LYS A 19 -2.494 5.658 -8.982 1.00 0.00 N ATOM 0 H LYS A 19 -3.795 7.933 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.320 7.123 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.721 7.111 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.003 5.445 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.520 4.773 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.088 6.360 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.910 7.193 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.178 5.992 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.615 5.328 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.876 4.224 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.273 5.034 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.503 5.573 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.281 6.643 -9.240 1.00 0.00 H new ATOM 291 N THR A 20 -5.311 4.864 -2.481 1.00 0.00 N ATOM 292 CA THR A 20 -5.979 3.662 -1.999 1.00 0.00 C ATOM 293 C THR A 20 -6.912 3.980 -0.836 1.00 0.00 C ATOM 294 O THR A 20 -8.088 3.621 -0.855 1.00 0.00 O ATOM 295 CB THR A 20 -4.963 2.595 -1.551 1.00 0.00 C ATOM 296 OG1 THR A 20 -4.393 2.962 -0.289 1.00 0.00 O ATOM 297 CG2 THR A 20 -3.858 2.432 -2.584 1.00 0.00 C ATOM 0 H THR A 20 -4.652 5.274 -1.819 1.00 0.00 H new ATOM 0 HA THR A 20 -6.562 3.270 -2.832 1.00 0.00 H new ATOM 0 HB THR A 20 -5.487 1.645 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.749 2.278 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.153 1.673 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.292 2.125 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.337 3.381 -2.712 1.00 0.00 H new ATOM 305 N GLY A 21 -6.378 4.657 0.176 1.00 0.00 N ATOM 306 CA GLY A 21 -7.178 5.012 1.334 1.00 0.00 C ATOM 307 C GLY A 21 -6.988 4.048 2.488 1.00 0.00 C ATOM 308 O GLY A 21 -7.902 3.834 3.284 1.00 0.00 O ATOM 0 H GLY A 21 -5.407 4.966 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.915 6.019 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.231 5.033 1.052 1.00 0.00 H new ATOM 312 N TYR A 22 -5.799 3.462 2.578 1.00 0.00 N ATOM 313 CA TYR A 22 -5.493 2.512 3.641 1.00 0.00 C ATOM 314 C TYR A 22 -4.749 3.194 4.784 1.00 0.00 C ATOM 315 O TYR A 22 -4.148 4.253 4.604 1.00 0.00 O ATOM 316 CB TYR A 22 -4.659 1.353 3.092 1.00 0.00 C ATOM 317 CG TYR A 22 -5.486 0.253 2.467 1.00 0.00 C ATOM 318 CD1 TYR A 22 -5.876 0.322 1.135 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.879 -0.854 3.208 1.00 0.00 C ATOM 320 CE1 TYR A 22 -6.633 -0.680 0.560 1.00 0.00 C ATOM 321 CE2 TYR A 22 -6.635 -1.862 2.641 1.00 0.00 C ATOM 322 CZ TYR A 22 -7.009 -1.770 1.317 1.00 0.00 C ATOM 323 OH TYR A 22 -7.763 -2.771 0.748 1.00 0.00 O ATOM 0 H TYR A 22 -5.031 3.628 1.927 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.434 2.122 4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.962 1.739 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.062 0.932 3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.582 1.174 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.589 -0.928 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.929 -0.610 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.931 -2.717 3.231 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.942 -3.466 1.416 1.00 0.00 H new ATOM 333 N SER A 23 -4.792 2.577 5.961 1.00 0.00 N ATOM 334 CA SER A 23 -4.125 3.125 7.136 1.00 0.00 C ATOM 335 C SER A 23 -2.817 3.809 6.749 1.00 0.00 C ATOM 336 O SER A 23 -2.163 3.421 5.780 1.00 0.00 O ATOM 337 CB SER A 23 -3.852 2.018 8.156 1.00 0.00 C ATOM 338 OG SER A 23 -5.060 1.424 8.599 1.00 0.00 O ATOM 0 H SER A 23 -5.282 1.698 6.126 1.00 0.00 H new ATOM 0 HA SER A 23 -4.785 3.868 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.211 1.258 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.311 2.430 9.008 1.00 0.00 H new ATOM 0 HG SER A 23 -4.859 0.719 9.249 1.00 0.00 H new ATOM 344 N PHE A 24 -2.441 4.829 7.512 1.00 0.00 N ATOM 345 CA PHE A 24 -1.212 5.569 7.250 1.00 0.00 C ATOM 346 C PHE A 24 0.003 4.650 7.328 1.00 0.00 C ATOM 347 O PHE A 24 1.003 4.864 6.643 1.00 0.00 O ATOM 348 CB PHE A 24 -1.061 6.719 8.248 1.00 0.00 C ATOM 349 CG PHE A 24 -0.316 7.899 7.693 1.00 0.00 C ATOM 350 CD1 PHE A 24 -0.763 8.543 6.551 1.00 0.00 C ATOM 351 CD2 PHE A 24 0.831 8.366 8.315 1.00 0.00 C ATOM 352 CE1 PHE A 24 -0.079 9.629 6.039 1.00 0.00 C ATOM 353 CE2 PHE A 24 1.519 9.452 7.807 1.00 0.00 C ATOM 354 CZ PHE A 24 1.063 10.085 6.668 1.00 0.00 C ATOM 0 H PHE A 24 -2.970 5.163 8.318 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.272 5.978 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.051 7.043 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.541 6.355 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.656 8.192 6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.192 7.876 9.207 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.437 10.121 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.412 9.805 8.301 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.598 10.935 6.270 1.00 0.00 H new ATOM 364 N VAL A 25 -0.091 3.624 8.169 1.00 0.00 N ATOM 365 CA VAL A 25 1.000 2.671 8.337 1.00 0.00 C ATOM 366 C VAL A 25 0.994 1.628 7.226 1.00 0.00 C ATOM 367 O VAL A 25 2.043 1.123 6.829 1.00 0.00 O ATOM 368 CB VAL A 25 0.915 1.956 9.699 1.00 0.00 C ATOM 369 CG1 VAL A 25 1.326 2.896 10.822 1.00 0.00 C ATOM 370 CG2 VAL A 25 -0.489 1.418 9.931 1.00 0.00 C ATOM 0 H VAL A 25 -0.911 3.432 8.744 1.00 0.00 H new ATOM 0 HA VAL A 25 1.928 3.240 8.291 1.00 0.00 H new ATOM 0 HB VAL A 25 1.606 1.113 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.260 2.374 11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.351 3.229 10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.662 3.760 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.531 0.916 10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.201 2.243 9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.742 0.709 9.143 1.00 0.00 H new ATOM 380 N ASN A 26 -0.196 1.309 6.727 1.00 0.00 N ATOM 381 CA ASN A 26 -0.339 0.324 5.661 1.00 0.00 C ATOM 382 C ASN A 26 0.401 0.772 4.404 1.00 0.00 C ATOM 383 O ASN A 26 1.185 0.015 3.830 1.00 0.00 O ATOM 384 CB ASN A 26 -1.818 0.099 5.342 1.00 0.00 C ATOM 385 CG ASN A 26 -2.533 -0.679 6.430 1.00 0.00 C ATOM 386 OD1 ASN A 26 -2.132 -0.650 7.594 1.00 0.00 O ATOM 387 ND2 ASN A 26 -3.597 -1.380 6.055 1.00 0.00 N ATOM 0 H ASN A 26 -1.075 1.718 7.044 1.00 0.00 H new ATOM 0 HA ASN A 26 0.099 -0.613 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.308 1.063 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.905 -0.438 4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.118 -1.924 6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.893 -1.375 5.079 1.00 0.00 H new ATOM 394 N CYS A 27 0.147 2.006 3.983 1.00 0.00 N ATOM 395 CA CYS A 27 0.790 2.555 2.794 1.00 0.00 C ATOM 396 C CYS A 27 2.308 2.514 2.928 1.00 0.00 C ATOM 397 O CYS A 27 2.995 1.866 2.139 1.00 0.00 O ATOM 398 CB CYS A 27 0.325 3.993 2.556 1.00 0.00 C ATOM 399 SG CYS A 27 -1.431 4.145 2.155 1.00 0.00 S ATOM 0 H CYS A 27 -0.499 2.645 4.447 1.00 0.00 H new ATOM 0 HA CYS A 27 0.503 1.942 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.535 4.584 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.911 4.423 1.743 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.018 4.885 3.049 1.00 0.00 H new ATOM 405 N LYS A 28 2.827 3.213 3.933 1.00 0.00 N ATOM 406 CA LYS A 28 4.265 3.257 4.171 1.00 0.00 C ATOM 407 C LYS A 28 4.896 1.886 3.952 1.00 0.00 C ATOM 408 O LYS A 28 6.039 1.781 3.508 1.00 0.00 O ATOM 409 CB LYS A 28 4.551 3.741 5.595 1.00 0.00 C ATOM 410 CG LYS A 28 5.879 4.465 5.736 1.00 0.00 C ATOM 411 CD LYS A 28 6.207 4.751 7.192 1.00 0.00 C ATOM 412 CE LYS A 28 5.392 5.918 7.728 1.00 0.00 C ATOM 413 NZ LYS A 28 4.083 5.472 8.283 1.00 0.00 N ATOM 0 H LYS A 28 2.273 3.756 4.595 1.00 0.00 H new ATOM 0 HA LYS A 28 4.705 3.956 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.748 4.407 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.540 2.885 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.672 3.861 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.845 5.401 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.010 3.862 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.270 4.973 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.960 6.431 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.221 6.639 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.312 5.983 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.969 4.450 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.053 5.671 9.303 1.00 0.00 H new ATOM 427 N LYS A 29 4.143 0.837 4.265 1.00 0.00 N ATOM 428 CA LYS A 29 4.627 -0.529 4.100 1.00 0.00 C ATOM 429 C LYS A 29 4.622 -0.934 2.630 1.00 0.00 C ATOM 430 O LYS A 29 5.676 -1.064 2.008 1.00 0.00 O ATOM 431 CB LYS A 29 3.764 -1.499 4.910 1.00 0.00 C ATOM 432 CG LYS A 29 3.868 -2.941 4.444 1.00 0.00 C ATOM 433 CD LYS A 29 5.224 -3.539 4.781 1.00 0.00 C ATOM 434 CE LYS A 29 5.163 -5.057 4.845 1.00 0.00 C ATOM 435 NZ LYS A 29 4.388 -5.531 6.025 1.00 0.00 N ATOM 0 H LYS A 29 3.195 0.906 4.634 1.00 0.00 H new ATOM 0 HA LYS A 29 5.653 -0.571 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.056 -1.443 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.723 -1.181 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.082 -3.533 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.705 -2.989 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.954 -3.234 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.568 -3.147 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.707 -5.441 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.175 -5.460 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.653 -6.513 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.598 -4.926 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.371 -5.486 5.813 1.00 0.00 H new ATOM 449 N ALA A 30 3.429 -1.130 2.078 1.00 0.00 N ATOM 450 CA ALA A 30 3.287 -1.516 0.680 1.00 0.00 C ATOM 451 C ALA A 30 4.332 -0.824 -0.189 1.00 0.00 C ATOM 452 O ALA A 30 4.904 -1.433 -1.094 1.00 0.00 O ATOM 453 CB ALA A 30 1.886 -1.193 0.182 1.00 0.00 C ATOM 0 H ALA A 30 2.546 -1.028 2.579 1.00 0.00 H new ATOM 0 HA ALA A 30 3.447 -2.592 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.795 -1.487 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.154 -1.738 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.705 -0.122 0.275 1.00 0.00 H new ATOM 459 N LEU A 31 4.575 0.452 0.090 1.00 0.00 N ATOM 460 CA LEU A 31 5.551 1.228 -0.667 1.00 0.00 C ATOM 461 C LEU A 31 6.955 0.657 -0.492 1.00 0.00 C ATOM 462 O LEU A 31 7.720 0.561 -1.451 1.00 0.00 O ATOM 463 CB LEU A 31 5.525 2.691 -0.222 1.00 0.00 C ATOM 464 CG LEU A 31 4.414 3.554 -0.822 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.153 4.771 0.053 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.775 3.980 -2.237 1.00 0.00 C ATOM 0 H LEU A 31 4.110 0.971 0.835 1.00 0.00 H new ATOM 0 HA LEU A 31 5.284 1.171 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.433 2.718 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.485 3.143 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 31 3.501 2.960 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.360 5.374 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.850 4.445 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.062 5.367 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.973 4.593 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.700 4.557 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.911 3.096 -2.860 1.00 0.00 H new ATOM 478 N GLU A 32 7.285 0.277 0.738 1.00 0.00 N ATOM 479 CA GLU A 32 8.596 -0.286 1.038 1.00 0.00 C ATOM 480 C GLU A 32 8.724 -1.698 0.473 1.00 0.00 C ATOM 481 O GLU A 32 9.619 -1.982 -0.324 1.00 0.00 O ATOM 482 CB GLU A 32 8.834 -0.306 2.549 1.00 0.00 C ATOM 483 CG GLU A 32 9.274 1.034 3.114 1.00 0.00 C ATOM 484 CD GLU A 32 10.591 1.509 2.531 1.00 0.00 C ATOM 485 OE1 GLU A 32 11.389 0.653 2.094 1.00 0.00 O ATOM 486 OE2 GLU A 32 10.824 2.736 2.512 1.00 0.00 O ATOM 0 H GLU A 32 6.663 0.349 1.543 1.00 0.00 H new ATOM 0 HA GLU A 32 9.350 0.345 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.917 -0.618 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.592 -1.054 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.503 1.779 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.368 0.954 4.197 1.00 0.00 H new ATOM 493 N THR A 33 7.822 -2.580 0.891 1.00 0.00 N ATOM 494 CA THR A 33 7.834 -3.962 0.430 1.00 0.00 C ATOM 495 C THR A 33 7.867 -4.034 -1.093 1.00 0.00 C ATOM 496 O THR A 33 8.531 -4.895 -1.669 1.00 0.00 O ATOM 497 CB THR A 33 6.605 -4.736 0.942 1.00 0.00 C ATOM 498 OG1 THR A 33 6.538 -4.660 2.370 1.00 0.00 O ATOM 499 CG2 THR A 33 6.663 -6.193 0.509 1.00 0.00 C ATOM 0 H THR A 33 7.073 -2.361 1.549 1.00 0.00 H new ATOM 0 HA THR A 33 8.737 -4.421 0.833 1.00 0.00 H new ATOM 0 HB THR A 33 5.713 -4.281 0.512 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.769 -5.531 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.784 -6.719 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.684 -6.249 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.563 -6.657 0.913 1.00 0.00 H new ATOM 507 N CYS A 34 7.147 -3.123 -1.738 1.00 0.00 N ATOM 508 CA CYS A 34 7.093 -3.083 -3.195 1.00 0.00 C ATOM 509 C CYS A 34 8.328 -2.391 -3.765 1.00 0.00 C ATOM 510 O CYS A 34 9.001 -2.927 -4.645 1.00 0.00 O ATOM 511 CB CYS A 34 5.829 -2.359 -3.660 1.00 0.00 C ATOM 512 SG CYS A 34 4.303 -3.291 -3.387 1.00 0.00 S ATOM 0 H CYS A 34 6.593 -2.402 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 34 7.071 -4.109 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.757 -1.404 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.921 -2.136 -4.723 1.00 0.00 H new ATOM 0 HG CYS A 34 3.744 -2.894 -2.283 1.00 0.00 H new ATOM 518 N GLY A 35 8.619 -1.197 -3.258 1.00 0.00 N ATOM 519 CA GLY A 35 9.770 -0.451 -3.731 1.00 0.00 C ATOM 520 C GLY A 35 9.386 0.878 -4.351 1.00 0.00 C ATOM 521 O GLY A 35 9.580 1.092 -5.546 1.00 0.00 O ATOM 0 H GLY A 35 8.078 -0.733 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.453 -0.276 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.309 -1.049 -4.466 1.00 0.00 H new ATOM 525 N GLY A 36 8.837 1.773 -3.535 1.00 0.00 N ATOM 526 CA GLY A 36 8.431 3.076 -4.030 1.00 0.00 C ATOM 527 C GLY A 36 7.696 2.991 -5.352 1.00 0.00 C ATOM 528 O GLY A 36 7.767 3.909 -6.170 1.00 0.00 O ATOM 0 H GLY A 36 8.666 1.619 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.790 3.558 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.312 3.707 -4.148 1.00 0.00 H new ATOM 532 N ASP A 37 6.989 1.887 -5.564 1.00 0.00 N ATOM 533 CA ASP A 37 6.237 1.685 -6.797 1.00 0.00 C ATOM 534 C ASP A 37 4.743 1.877 -6.561 1.00 0.00 C ATOM 535 O ASP A 37 3.992 0.907 -6.444 1.00 0.00 O ATOM 536 CB ASP A 37 6.502 0.286 -7.358 1.00 0.00 C ATOM 537 CG ASP A 37 7.710 0.248 -8.273 1.00 0.00 C ATOM 538 OD1 ASP A 37 7.666 0.893 -9.342 1.00 0.00 O ATOM 539 OD2 ASP A 37 8.700 -0.426 -7.920 1.00 0.00 O ATOM 0 H ASP A 37 6.921 1.118 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 37 6.570 2.428 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.653 -0.410 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.624 -0.055 -7.906 1.00 0.00 H new ATOM 544 N LEU A 38 4.317 3.133 -6.490 1.00 0.00 N ATOM 545 CA LEU A 38 2.912 3.453 -6.266 1.00 0.00 C ATOM 546 C LEU A 38 2.005 2.424 -6.933 1.00 0.00 C ATOM 547 O LEU A 38 1.049 1.938 -6.329 1.00 0.00 O ATOM 548 CB LEU A 38 2.595 4.851 -6.800 1.00 0.00 C ATOM 549 CG LEU A 38 3.187 6.021 -6.013 1.00 0.00 C ATOM 550 CD1 LEU A 38 2.345 7.273 -6.204 1.00 0.00 C ATOM 551 CD2 LEU A 38 3.295 5.669 -4.536 1.00 0.00 C ATOM 0 H LEU A 38 4.925 3.947 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 38 2.727 3.430 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.950 4.914 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.512 4.970 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 38 4.189 6.220 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.781 8.095 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.318 7.536 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.331 7.087 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.718 6.513 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.304 5.443 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.940 4.799 -4.416 1.00 0.00 H new ATOM 563 N LYS A 39 2.314 2.094 -8.182 1.00 0.00 N ATOM 564 CA LYS A 39 1.531 1.119 -8.933 1.00 0.00 C ATOM 565 C LYS A 39 1.392 -0.184 -8.152 1.00 0.00 C ATOM 566 O LYS A 39 0.286 -0.585 -7.789 1.00 0.00 O ATOM 567 CB LYS A 39 2.183 0.845 -10.290 1.00 0.00 C ATOM 568 CG LYS A 39 1.902 -0.546 -10.830 1.00 0.00 C ATOM 569 CD LYS A 39 0.417 -0.762 -11.069 1.00 0.00 C ATOM 570 CE LYS A 39 -0.005 -0.265 -12.443 1.00 0.00 C ATOM 571 NZ LYS A 39 0.591 -1.083 -13.535 1.00 0.00 N ATOM 0 H LYS A 39 3.102 2.488 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 39 0.536 1.535 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.829 1.583 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.261 0.980 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.447 -0.692 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.270 -1.292 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.183 -1.823 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.156 -0.242 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.092 -0.292 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.298 0.775 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.012 -0.991 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.556 -0.750 -13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.622 -2.081 -13.244 1.00 0.00 H new ATOM 585 N GLN A 40 2.520 -0.839 -7.896 1.00 0.00 N ATOM 586 CA GLN A 40 2.522 -2.096 -7.158 1.00 0.00 C ATOM 587 C GLN A 40 1.950 -1.906 -5.757 1.00 0.00 C ATOM 588 O GLN A 40 1.081 -2.661 -5.323 1.00 0.00 O ATOM 589 CB GLN A 40 3.942 -2.658 -7.070 1.00 0.00 C ATOM 590 CG GLN A 40 4.304 -3.581 -8.222 1.00 0.00 C ATOM 591 CD GLN A 40 5.334 -4.623 -7.833 1.00 0.00 C ATOM 592 OE1 GLN A 40 6.536 -4.419 -8.003 1.00 0.00 O ATOM 593 NE2 GLN A 40 4.867 -5.750 -7.307 1.00 0.00 N ATOM 0 H GLN A 40 3.444 -0.520 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 40 1.891 -2.804 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.650 -1.830 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.051 -3.202 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.404 -4.081 -8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.689 -2.987 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.863 -5.877 -7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.513 -6.488 -7.026 1.00 0.00 H new ATOM 602 N ALA A 41 2.444 -0.891 -5.054 1.00 0.00 N ATOM 603 CA ALA A 41 1.981 -0.601 -3.703 1.00 0.00 C ATOM 604 C ALA A 41 0.500 -0.932 -3.547 1.00 0.00 C ATOM 605 O ALA A 41 0.078 -1.455 -2.517 1.00 0.00 O ATOM 606 CB ALA A 41 2.236 0.860 -3.361 1.00 0.00 C ATOM 0 H ALA A 41 3.165 -0.256 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 41 2.541 -1.229 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.885 1.063 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.304 1.067 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.701 1.497 -4.065 1.00 0.00 H new ATOM 612 N GLU A 42 -0.282 -0.623 -4.576 1.00 0.00 N ATOM 613 CA GLU A 42 -1.716 -0.887 -4.551 1.00 0.00 C ATOM 614 C GLU A 42 -1.995 -2.383 -4.663 1.00 0.00 C ATOM 615 O GLU A 42 -2.779 -2.938 -3.891 1.00 0.00 O ATOM 616 CB GLU A 42 -2.415 -0.141 -5.690 1.00 0.00 C ATOM 617 CG GLU A 42 -3.820 -0.643 -5.974 1.00 0.00 C ATOM 618 CD GLU A 42 -4.726 0.441 -6.526 1.00 0.00 C ATOM 619 OE1 GLU A 42 -4.212 1.362 -7.194 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.950 0.367 -6.291 1.00 0.00 O ATOM 0 H GLU A 42 0.053 -0.190 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.108 -0.531 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.460 0.920 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.815 -0.233 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.770 -1.467 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.253 -1.040 -5.056 1.00 0.00 H new ATOM 627 N ILE A 43 -1.350 -3.030 -5.628 1.00 0.00 N ATOM 628 CA ILE A 43 -1.529 -4.461 -5.840 1.00 0.00 C ATOM 629 C ILE A 43 -1.218 -5.247 -4.571 1.00 0.00 C ATOM 630 O ILE A 43 -1.909 -6.212 -4.242 1.00 0.00 O ATOM 631 CB ILE A 43 -0.634 -4.976 -6.982 1.00 0.00 C ATOM 632 CG1 ILE A 43 -0.969 -4.253 -8.288 1.00 0.00 C ATOM 633 CG2 ILE A 43 -0.798 -6.480 -7.146 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.122 -4.353 -9.332 1.00 0.00 C ATOM 0 H ILE A 43 -0.699 -2.586 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.574 -4.613 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 43 0.406 -4.768 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.891 -4.667 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.160 -3.202 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.159 -6.829 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.515 -6.980 -6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.838 -6.709 -7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.184 -3.818 -10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.040 -3.913 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.297 -5.401 -9.576 1.00 0.00 H new ATOM 646 N TRP A 44 -0.176 -4.828 -3.862 1.00 0.00 N ATOM 647 CA TRP A 44 0.226 -5.493 -2.627 1.00 0.00 C ATOM 648 C TRP A 44 -0.897 -5.450 -1.597 1.00 0.00 C ATOM 649 O TRP A 44 -1.402 -6.490 -1.171 1.00 0.00 O ATOM 650 CB TRP A 44 1.484 -4.837 -2.057 1.00 0.00 C ATOM 651 CG TRP A 44 2.085 -5.598 -0.914 1.00 0.00 C ATOM 652 CD1 TRP A 44 2.944 -6.656 -0.997 1.00 0.00 C ATOM 653 CD2 TRP A 44 1.870 -5.361 0.481 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.276 -7.091 0.264 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.631 -6.313 1.188 1.00 0.00 C ATOM 656 CE3 TRP A 44 1.110 -4.436 1.203 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.652 -6.365 2.579 1.00 0.00 C ATOM 658 CZ3 TRP A 44 1.131 -4.489 2.583 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.898 -5.447 3.260 1.00 0.00 C ATOM 0 H TRP A 44 0.406 -4.031 -4.121 1.00 0.00 H new ATOM 0 HA TRP A 44 0.442 -6.536 -2.858 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.226 -4.740 -2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.240 -3.828 -1.724 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.309 -7.087 -1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.902 -7.868 0.477 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.517 -3.693 0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.242 -7.103 3.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.546 -3.780 3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.894 -5.461 4.340 1.00 0.00 H new ATOM 670 N LEU A 45 -1.283 -4.243 -1.199 1.00 0.00 N ATOM 671 CA LEU A 45 -2.348 -4.066 -0.217 1.00 0.00 C ATOM 672 C LEU A 45 -3.552 -4.938 -0.556 1.00 0.00 C ATOM 673 O LEU A 45 -4.061 -5.670 0.293 1.00 0.00 O ATOM 674 CB LEU A 45 -2.769 -2.597 -0.152 1.00 0.00 C ATOM 675 CG LEU A 45 -1.732 -1.625 0.413 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.153 -0.187 0.157 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.531 -1.867 1.902 1.00 0.00 C ATOM 0 H LEU A 45 -0.875 -3.373 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.965 -4.371 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.033 -2.271 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.672 -2.525 0.454 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.783 -1.800 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.403 0.490 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.245 -0.020 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.113 0.002 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.790 -1.167 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.476 -1.720 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.183 -2.888 2.061 1.00 0.00 H new ATOM 689 N HIS A 46 -4.003 -4.856 -1.804 1.00 0.00 N ATOM 690 CA HIS A 46 -5.147 -5.640 -2.257 1.00 0.00 C ATOM 691 C HIS A 46 -4.857 -7.134 -2.150 1.00 0.00 C ATOM 692 O HIS A 46 -5.691 -7.907 -1.678 1.00 0.00 O ATOM 693 CB HIS A 46 -5.501 -5.278 -3.700 1.00 0.00 C ATOM 694 CG HIS A 46 -5.954 -3.861 -3.868 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.820 -3.239 -2.993 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.656 -2.943 -4.817 1.00 0.00 C ATOM 697 CE1 HIS A 46 -7.036 -2.000 -3.398 1.00 0.00 C ATOM 698 NE2 HIS A 46 -6.341 -1.795 -4.502 1.00 0.00 N ATOM 0 H HIS A 46 -3.594 -4.255 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.995 -5.406 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.630 -5.450 -4.333 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.287 -5.946 -4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.002 -3.087 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.673 -1.278 -2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.317 -0.925 -5.034 1.00 0.00 H new ATOM 707 N LYS A 47 -3.671 -7.535 -2.594 1.00 0.00 N ATOM 708 CA LYS A 47 -3.270 -8.936 -2.549 1.00 0.00 C ATOM 709 C LYS A 47 -3.292 -9.462 -1.118 1.00 0.00 C ATOM 710 O LYS A 47 -3.754 -10.574 -0.863 1.00 0.00 O ATOM 711 CB LYS A 47 -1.871 -9.107 -3.145 1.00 0.00 C ATOM 712 CG LYS A 47 -1.876 -9.368 -4.642 1.00 0.00 C ATOM 713 CD LYS A 47 -0.483 -9.235 -5.235 1.00 0.00 C ATOM 714 CE LYS A 47 -0.468 -9.608 -6.710 1.00 0.00 C ATOM 715 NZ LYS A 47 -0.693 -11.065 -6.916 1.00 0.00 N ATOM 0 H LYS A 47 -2.970 -6.909 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.983 -9.511 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.287 -8.209 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.369 -9.934 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.261 -10.369 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.550 -8.666 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.131 -8.211 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.209 -9.876 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.239 -9.044 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.489 -9.323 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.476 -11.314 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.074 -11.605 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.686 -11.295 -6.711 1.00 0.00 H new ATOM 729 N GLU A 48 -2.790 -8.656 -0.187 1.00 0.00 N ATOM 730 CA GLU A 48 -2.754 -9.042 1.218 1.00 0.00 C ATOM 731 C GLU A 48 -4.165 -9.216 1.772 1.00 0.00 C ATOM 732 O GLU A 48 -4.431 -10.136 2.545 1.00 0.00 O ATOM 733 CB GLU A 48 -1.998 -7.994 2.038 1.00 0.00 C ATOM 734 CG GLU A 48 -0.499 -8.234 2.101 1.00 0.00 C ATOM 735 CD GLU A 48 -0.152 -9.634 2.569 1.00 0.00 C ATOM 736 OE1 GLU A 48 -0.056 -10.539 1.714 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.023 -9.824 3.791 1.00 0.00 O ATOM 0 H GLU A 48 -2.403 -7.732 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.234 -9.997 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.182 -7.009 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.398 -7.981 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.066 -8.067 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.046 -7.507 2.775 1.00 0.00 H new ATOM 744 N ALA A 49 -5.066 -8.325 1.370 1.00 0.00 N ATOM 745 CA ALA A 49 -6.450 -8.380 1.824 1.00 0.00 C ATOM 746 C ALA A 49 -7.158 -9.615 1.277 1.00 0.00 C ATOM 747 O ALA A 49 -7.870 -10.306 2.004 1.00 0.00 O ATOM 748 CB ALA A 49 -7.191 -7.117 1.412 1.00 0.00 C ATOM 0 H ALA A 49 -4.862 -7.557 0.731 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.448 -8.447 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.223 -7.172 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.705 -6.249 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.176 -7.024 0.326 1.00 0.00 H new ATOM 754 N GLN A 50 -6.958 -9.885 -0.009 1.00 0.00 N ATOM 755 CA GLN A 50 -7.579 -11.036 -0.653 1.00 0.00 C ATOM 756 C GLN A 50 -7.091 -12.339 -0.029 1.00 0.00 C ATOM 757 O GLN A 50 -7.879 -13.248 0.232 1.00 0.00 O ATOM 758 CB GLN A 50 -7.279 -11.031 -2.153 1.00 0.00 C ATOM 759 CG GLN A 50 -8.281 -10.233 -2.972 1.00 0.00 C ATOM 760 CD GLN A 50 -8.301 -10.644 -4.431 1.00 0.00 C ATOM 761 OE1 GLN A 50 -7.434 -11.387 -4.891 1.00 0.00 O ATOM 762 NE2 GLN A 50 -9.294 -10.161 -5.169 1.00 0.00 N ATOM 0 H GLN A 50 -6.371 -9.323 -0.625 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.657 -10.965 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.282 -10.621 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.263 -12.059 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.277 -10.363 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.040 -9.172 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.992 -9.548 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.359 -10.403 -6.158 1.00 0.00 H new ATOM 771 N LYS A 51 -5.786 -12.423 0.208 1.00 0.00 N ATOM 772 CA LYS A 51 -5.191 -13.614 0.803 1.00 0.00 C ATOM 773 C LYS A 51 -5.542 -13.716 2.284 1.00 0.00 C ATOM 774 O LYS A 51 -6.187 -14.672 2.713 1.00 0.00 O ATOM 775 CB LYS A 51 -3.671 -13.591 0.629 1.00 0.00 C ATOM 776 CG LYS A 51 -3.225 -13.611 -0.823 1.00 0.00 C ATOM 777 CD LYS A 51 -1.881 -12.925 -1.003 1.00 0.00 C ATOM 778 CE LYS A 51 -0.747 -13.760 -0.429 1.00 0.00 C ATOM 779 NZ LYS A 51 0.587 -13.191 -0.767 1.00 0.00 N ATOM 0 H LYS A 51 -5.120 -11.680 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.596 -14.487 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.272 -12.698 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.242 -14.450 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.157 -14.642 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.973 -13.115 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.702 -12.746 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.900 -11.951 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.852 -13.820 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.815 -14.778 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.333 -13.789 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.698 -13.157 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.662 -12.229 -0.379 1.00 0.00 H new ATOM 793 N GLU A 52 -5.115 -12.723 3.058 1.00 0.00 N ATOM 794 CA GLU A 52 -5.386 -12.703 4.491 1.00 0.00 C ATOM 795 C GLU A 52 -6.880 -12.550 4.760 1.00 0.00 C ATOM 796 O GLU A 52 -7.513 -13.435 5.333 1.00 0.00 O ATOM 797 CB GLU A 52 -4.616 -11.563 5.162 1.00 0.00 C ATOM 798 CG GLU A 52 -3.107 -11.685 5.026 1.00 0.00 C ATOM 799 CD GLU A 52 -2.528 -12.774 5.908 1.00 0.00 C ATOM 800 OE1 GLU A 52 -3.128 -13.064 6.964 1.00 0.00 O ATOM 801 OE2 GLU A 52 -1.475 -13.336 5.541 1.00 0.00 O ATOM 0 H GLU A 52 -4.581 -11.923 2.718 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.054 -13.653 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.936 -10.615 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.876 -11.534 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.855 -11.893 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.645 -10.732 5.281 1.00 0.00 H new ATOM 808 N GLY A 53 -7.438 -11.417 4.342 1.00 0.00 N ATOM 809 CA GLY A 53 -8.852 -11.167 4.547 1.00 0.00 C ATOM 810 C GLY A 53 -9.107 -10.110 5.603 1.00 0.00 C ATOM 811 O GLY A 53 -9.217 -10.421 6.789 1.00 0.00 O ATOM 0 H GLY A 53 -6.935 -10.668 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.302 -10.852 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.343 -12.095 4.840 1.00 0.00 H new ATOM 815 N TRP A 54 -9.199 -8.857 5.173 1.00 0.00 N ATOM 816 CA TRP A 54 -9.441 -7.749 6.091 1.00 0.00 C ATOM 817 C TRP A 54 -10.912 -7.349 6.086 1.00 0.00 C ATOM 818 O TRP A 54 -11.602 -7.498 5.077 1.00 0.00 O ATOM 819 CB TRP A 54 -8.571 -6.549 5.714 1.00 0.00 C ATOM 820 CG TRP A 54 -7.102 -6.821 5.826 1.00 0.00 C ATOM 821 CD1 TRP A 54 -6.474 -7.543 6.800 1.00 0.00 C ATOM 822 CD2 TRP A 54 -6.077 -6.374 4.931 1.00 0.00 C ATOM 823 NE1 TRP A 54 -5.120 -7.571 6.565 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.851 -6.862 5.424 1.00 0.00 C ATOM 825 CE3 TRP A 54 -6.076 -5.611 3.761 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.639 -6.610 4.787 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.872 -5.361 3.130 1.00 0.00 C ATOM 828 CH2 TRP A 54 -3.668 -5.859 3.644 1.00 0.00 C ATOM 0 H TRP A 54 -9.110 -8.582 4.195 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.178 -8.078 7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.801 -6.250 4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.827 -5.707 6.357 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.968 -8.022 7.632 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.427 -8.043 7.146 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.999 -5.223 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.709 -6.994 5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.859 -4.772 2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.744 -5.646 3.127 1.00 0.00 H new ATOM 839 N SER A 55 -11.386 -6.840 7.219 1.00 0.00 N ATOM 840 CA SER A 55 -12.777 -6.422 7.345 1.00 0.00 C ATOM 841 C SER A 55 -12.999 -5.064 6.684 1.00 0.00 C ATOM 842 O SER A 55 -13.959 -4.872 5.938 1.00 0.00 O ATOM 843 CB SER A 55 -13.181 -6.356 8.819 1.00 0.00 C ATOM 844 OG SER A 55 -14.572 -6.125 8.958 1.00 0.00 O ATOM 0 H SER A 55 -10.827 -6.707 8.062 1.00 0.00 H new ATOM 0 HA SER A 55 -13.399 -7.160 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.913 -7.289 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.626 -5.560 9.316 1.00 0.00 H new ATOM 0 HG SER A 55 -14.804 -6.089 9.909 1.00 0.00 H new ATOM 850 N LYS A 56 -12.102 -4.124 6.964 1.00 0.00 N ATOM 851 CA LYS A 56 -12.196 -2.784 6.397 1.00 0.00 C ATOM 852 C LYS A 56 -11.958 -2.812 4.891 1.00 0.00 C ATOM 853 O LYS A 56 -10.889 -3.210 4.429 1.00 0.00 O ATOM 854 CB LYS A 56 -11.182 -1.853 7.067 1.00 0.00 C ATOM 855 CG LYS A 56 -11.344 -1.761 8.574 1.00 0.00 C ATOM 856 CD LYS A 56 -12.631 -1.048 8.954 1.00 0.00 C ATOM 857 CE LYS A 56 -12.432 0.459 9.027 1.00 0.00 C ATOM 858 NZ LYS A 56 -13.674 1.162 9.454 1.00 0.00 N ATOM 0 H LYS A 56 -11.302 -4.266 7.580 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.203 -2.409 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.175 -2.202 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.278 -0.856 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.342 -2.763 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.493 -1.230 9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.406 -1.279 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.982 -1.417 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.627 0.686 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.121 0.832 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.498 2.186 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.435 0.966 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.957 0.825 10.396 1.00 0.00 H new ATOM 872 N ALA A 57 -12.962 -2.387 4.130 1.00 0.00 N ATOM 873 CA ALA A 57 -12.860 -2.360 2.676 1.00 0.00 C ATOM 874 C ALA A 57 -13.216 -0.983 2.126 1.00 0.00 C ATOM 875 O ALA A 57 -14.150 -0.337 2.600 1.00 0.00 O ATOM 876 CB ALA A 57 -13.760 -3.423 2.065 1.00 0.00 C ATOM 0 H ALA A 57 -13.855 -2.057 4.496 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.826 -2.574 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.674 -3.392 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.458 -4.406 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.794 -3.234 2.353 1.00 0.00 H new ATOM 882 N ALA A 58 -12.464 -0.539 1.124 1.00 0.00 N ATOM 883 CA ALA A 58 -12.702 0.761 0.509 1.00 0.00 C ATOM 884 C ALA A 58 -12.716 0.654 -1.012 1.00 0.00 C ATOM 885 O ALA A 58 -11.724 0.262 -1.626 1.00 0.00 O ATOM 886 CB ALA A 58 -11.646 1.759 0.960 1.00 0.00 C ATOM 0 H ALA A 58 -11.685 -1.060 0.721 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.681 1.114 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.836 2.725 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.686 1.866 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.659 1.402 0.666 1.00 0.00 H new ATOM 892 N SER A 59 -13.848 1.004 -1.615 1.00 0.00 N ATOM 893 CA SER A 59 -13.993 0.944 -3.065 1.00 0.00 C ATOM 894 C SER A 59 -14.936 2.034 -3.563 1.00 0.00 C ATOM 895 O SER A 59 -15.646 2.662 -2.778 1.00 0.00 O ATOM 896 CB SER A 59 -14.514 -0.431 -3.489 1.00 0.00 C ATOM 897 OG SER A 59 -15.793 -0.684 -2.935 1.00 0.00 O ATOM 0 H SER A 59 -14.678 1.332 -1.122 1.00 0.00 H new ATOM 0 HA SER A 59 -13.012 1.107 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.568 -0.483 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.815 -1.203 -3.167 1.00 0.00 H new ATOM 0 HG SER A 59 -16.105 -1.568 -3.222 1.00 0.00 H new ATOM 903 N GLY A 60 -14.938 2.253 -4.874 1.00 0.00 N ATOM 904 CA GLY A 60 -15.798 3.267 -5.456 1.00 0.00 C ATOM 905 C GLY A 60 -17.116 2.700 -5.944 1.00 0.00 C ATOM 906 O GLY A 60 -17.559 1.638 -5.507 1.00 0.00 O ATOM 0 H GLY A 60 -14.359 1.746 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.992 4.043 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.281 3.743 -6.289 1.00 0.00 H new ATOM 910 N PRO A 61 -17.766 3.418 -6.872 1.00 0.00 N ATOM 911 CA PRO A 61 -19.051 2.999 -7.440 1.00 0.00 C ATOM 912 C PRO A 61 -18.916 1.776 -8.340 1.00 0.00 C ATOM 913 O PRO A 61 -18.761 1.902 -9.555 1.00 0.00 O ATOM 914 CB PRO A 61 -19.492 4.217 -8.255 1.00 0.00 C ATOM 915 CG PRO A 61 -18.225 4.922 -8.599 1.00 0.00 C ATOM 916 CD PRO A 61 -17.296 4.693 -7.439 1.00 0.00 C ATOM 0 HA PRO A 61 -19.762 2.706 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -20.035 3.918 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.158 4.859 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.799 4.531 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.400 5.987 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.257 4.630 -7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.355 5.502 -6.711 1.00 0.00 H new ATOM 924 N SER A 62 -18.976 0.593 -7.737 1.00 0.00 N ATOM 925 CA SER A 62 -18.858 -0.653 -8.484 1.00 0.00 C ATOM 926 C SER A 62 -20.155 -1.453 -8.415 1.00 0.00 C ATOM 927 O SER A 62 -20.903 -1.361 -7.442 1.00 0.00 O ATOM 928 CB SER A 62 -17.699 -1.491 -7.940 1.00 0.00 C ATOM 929 OG SER A 62 -17.132 -2.299 -8.956 1.00 0.00 O ATOM 0 H SER A 62 -19.106 0.472 -6.733 1.00 0.00 H new ATOM 0 HA SER A 62 -18.660 -0.405 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.935 -0.834 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.054 -2.122 -7.125 1.00 0.00 H new ATOM 0 HG SER A 62 -16.393 -2.823 -8.583 1.00 0.00 H new ATOM 935 N SER A 63 -20.414 -2.239 -9.456 1.00 0.00 N ATOM 936 CA SER A 63 -21.622 -3.053 -9.517 1.00 0.00 C ATOM 937 C SER A 63 -22.866 -2.174 -9.609 1.00 0.00 C ATOM 938 O SER A 63 -23.897 -2.472 -9.008 1.00 0.00 O ATOM 939 CB SER A 63 -21.714 -3.959 -8.287 1.00 0.00 C ATOM 940 OG SER A 63 -22.723 -4.941 -8.452 1.00 0.00 O ATOM 0 H SER A 63 -19.803 -2.329 -10.268 1.00 0.00 H new ATOM 0 HA SER A 63 -21.569 -3.672 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.753 -4.445 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.928 -3.358 -7.403 1.00 0.00 H new ATOM 0 HG SER A 63 -23.588 -4.501 -8.588 1.00 0.00 H new ATOM 946 N GLY A 64 -22.760 -1.087 -10.368 1.00 0.00 N ATOM 947 CA GLY A 64 -23.882 -0.181 -10.526 1.00 0.00 C ATOM 948 C GLY A 64 -24.831 -0.619 -11.624 1.00 0.00 C ATOM 949 O GLY A 64 -24.401 -0.969 -12.723 1.00 0.00 O ATOM 0 H GLY A 64 -21.917 -0.818 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -24.427 -0.115 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -23.509 0.819 -10.750 1.00 0.00 H new TER 953 GLY A 64