USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 160:sc= 1.2 (180deg=0.613) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 52:sc= 0.137 USER MOD Single : A 17 GLN : amide:sc= -1.05 K(o=-1,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -1.01 K(o=-1,f=-0.36) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.75 K(o=-1.7,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0694 (180deg=-0.334) USER MOD Single : A 31 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 162:sc= 0 (180deg=-0.216) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.421 (180deg=-0.219) USER MOD Single : A 56 MET CE :methyl -179:sc= -2.53! (180deg=-2.54!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0688) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.04 K(o=-1,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -40.297 6.737 19.047 1.00 20.00 N ATOM 2 CA MET A -7 -40.344 6.821 17.568 1.00 20.00 C ATOM 3 C MET A -7 -40.637 5.451 16.963 1.00 20.00 C ATOM 4 O MET A -7 -39.860 4.934 16.160 1.00 20.00 O ATOM 5 CB MET A -7 -39.018 7.360 17.014 1.00 20.00 C ATOM 6 CG MET A -7 -38.707 8.799 17.406 1.00 20.00 C ATOM 7 SD MET A -7 -38.420 9.010 19.177 1.00 20.00 S ATOM 8 CE MET A -7 -38.005 10.751 19.247 1.00 20.00 C ATOM 0 H1 MET A -7 -39.779 7.556 19.425 1.00 20.00 H new ATOM 0 H2 MET A -7 -41.266 6.735 19.426 1.00 20.00 H new ATOM 0 H3 MET A -7 -39.813 5.861 19.330 1.00 20.00 H new ATOM 0 HA MET A -7 -41.145 7.508 17.294 1.00 20.00 H new ATOM 0 HB2 MET A -7 -38.207 6.719 17.360 1.00 20.00 H new ATOM 0 HB3 MET A -7 -39.038 7.289 15.926 1.00 20.00 H new ATOM 0 HG2 MET A -7 -37.826 9.135 16.859 1.00 20.00 H new ATOM 0 HG3 MET A -7 -39.535 9.439 17.100 1.00 20.00 H new ATOM 0 HE1 MET A -7 -37.800 11.035 20.279 1.00 20.00 H new ATOM 0 HE2 MET A -7 -37.122 10.939 18.637 1.00 20.00 H new ATOM 0 HE3 MET A -7 -38.840 11.340 18.868 1.00 20.00 H new ATOM 20 N ASP A -6 -41.760 4.862 17.353 1.00 20.00 N ATOM 21 CA ASP A -6 -42.146 3.545 16.865 1.00 20.00 C ATOM 22 C ASP A -6 -43.209 3.680 15.786 1.00 20.00 C ATOM 23 O ASP A -6 -44.400 3.494 16.042 1.00 20.00 O ATOM 24 CB ASP A -6 -42.671 2.669 18.011 1.00 20.00 C ATOM 25 CG ASP A -6 -41.571 2.183 18.935 1.00 20.00 C ATOM 26 OD1 ASP A -6 -41.125 2.963 19.804 1.00 20.00 O ATOM 27 OD2 ASP A -6 -41.149 1.014 18.804 1.00 20.00 O ATOM 0 H ASP A -6 -42.422 5.278 18.009 1.00 20.00 H new ATOM 0 HA ASP A -6 -41.264 3.065 16.442 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -43.400 3.236 18.590 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -43.194 1.809 17.593 1.00 20.00 H new ATOM 32 N TYR A -5 -42.777 4.017 14.581 1.00 20.00 N ATOM 33 CA TYR A -5 -43.700 4.206 13.471 1.00 20.00 C ATOM 34 C TYR A -5 -43.489 3.140 12.402 1.00 20.00 C ATOM 35 O TYR A -5 -44.143 3.163 11.360 1.00 20.00 O ATOM 36 CB TYR A -5 -43.555 5.615 12.877 1.00 20.00 C ATOM 37 CG TYR A -5 -42.156 5.964 12.403 1.00 20.00 C ATOM 38 CD1 TYR A -5 -41.165 6.333 13.305 1.00 20.00 C ATOM 39 CD2 TYR A -5 -41.832 5.935 11.053 1.00 20.00 C ATOM 40 CE1 TYR A -5 -39.895 6.659 12.875 1.00 20.00 C ATOM 41 CE2 TYR A -5 -40.564 6.262 10.617 1.00 20.00 C ATOM 42 CZ TYR A -5 -39.599 6.622 11.531 1.00 20.00 C ATOM 43 OH TYR A -5 -38.335 6.950 11.096 1.00 20.00 O ATOM 0 H TYR A -5 -41.796 4.165 14.346 1.00 20.00 H new ATOM 0 HA TYR A -5 -44.716 4.103 13.853 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -44.243 5.713 12.037 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -43.862 6.344 13.627 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -41.393 6.365 14.360 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -42.585 5.652 10.332 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -39.136 6.942 13.590 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -40.330 6.236 9.563 1.00 20.00 H new ATOM 0 HH TYR A -5 -38.294 6.871 10.120 1.00 20.00 H new ATOM 53 N LYS A -4 -42.565 2.216 12.693 1.00 20.00 N ATOM 54 CA LYS A -4 -42.190 1.086 11.813 1.00 20.00 C ATOM 55 C LYS A -4 -41.956 1.490 10.351 1.00 20.00 C ATOM 56 O LYS A -4 -41.936 0.635 9.470 1.00 20.00 O ATOM 57 CB LYS A -4 -43.188 -0.097 11.928 1.00 20.00 C ATOM 58 CG LYS A -4 -44.670 0.240 11.744 1.00 20.00 C ATOM 59 CD LYS A -4 -45.061 0.363 10.278 1.00 20.00 C ATOM 60 CE LYS A -4 -46.533 0.725 10.121 1.00 20.00 C ATOM 61 NZ LYS A -4 -47.434 -0.359 10.601 1.00 20.00 N ATOM 0 H LYS A -4 -42.040 2.228 13.568 1.00 20.00 H new ATOM 0 HA LYS A -4 -41.224 0.743 12.182 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -42.914 -0.848 11.187 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -43.062 -0.556 12.908 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -45.277 -0.533 12.215 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -44.893 1.176 12.256 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -44.445 1.124 9.799 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -44.860 -0.578 9.767 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -46.741 1.640 10.675 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -46.744 0.933 9.072 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -48.413 -0.146 10.322 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -47.144 -1.264 10.179 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -47.376 -0.426 11.637 1.00 20.00 H new ATOM 75 N ASP A -3 -41.736 2.786 10.119 1.00 20.00 N ATOM 76 CA ASP A -3 -41.472 3.336 8.784 1.00 20.00 C ATOM 77 C ASP A -3 -42.560 2.931 7.780 1.00 20.00 C ATOM 78 O ASP A -3 -43.617 2.416 8.157 1.00 20.00 O ATOM 79 CB ASP A -3 -40.085 2.904 8.289 1.00 20.00 C ATOM 80 CG ASP A -3 -39.546 3.825 7.208 1.00 20.00 C ATOM 81 OD1 ASP A -3 -38.935 4.858 7.553 1.00 20.00 O ATOM 82 OD2 ASP A -3 -39.744 3.529 6.013 1.00 20.00 O ATOM 0 H ASP A -3 -41.736 3.490 10.857 1.00 20.00 H new ATOM 0 HA ASP A -3 -41.490 4.423 8.863 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -39.391 2.888 9.129 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -40.140 1.887 7.902 1.00 20.00 H new ATOM 87 N ASP A -2 -42.325 3.217 6.509 1.00 20.00 N ATOM 88 CA ASP A -2 -43.268 2.873 5.457 1.00 20.00 C ATOM 89 C ASP A -2 -42.565 2.205 4.290 1.00 20.00 C ATOM 90 O ASP A -2 -43.022 1.182 3.784 1.00 20.00 O ATOM 91 CB ASP A -2 -44.032 4.108 4.978 1.00 20.00 C ATOM 92 CG ASP A -2 -45.033 4.596 6.002 1.00 20.00 C ATOM 93 OD1 ASP A -2 -46.138 4.019 6.082 1.00 20.00 O ATOM 94 OD2 ASP A -2 -44.727 5.556 6.737 1.00 20.00 O ATOM 0 H ASP A -2 -41.483 3.690 6.180 1.00 20.00 H new ATOM 0 HA ASP A -2 -43.984 2.167 5.877 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -43.324 4.907 4.755 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -44.551 3.874 4.049 1.00 20.00 H new ATOM 99 N ASP A -1 -41.447 2.780 3.866 1.00 20.00 N ATOM 100 CA ASP A -1 -40.713 2.247 2.726 1.00 20.00 C ATOM 101 C ASP A -1 -39.683 1.221 3.181 1.00 20.00 C ATOM 102 O ASP A -1 -39.438 0.237 2.485 1.00 20.00 O ATOM 103 CB ASP A -1 -40.043 3.362 1.909 1.00 20.00 C ATOM 104 CG ASP A -1 -38.879 4.025 2.618 1.00 20.00 C ATOM 105 OD1 ASP A -1 -37.740 3.542 2.475 1.00 20.00 O ATOM 106 OD2 ASP A -1 -39.096 5.046 3.301 1.00 20.00 O ATOM 0 H ASP A -1 -41.031 3.609 4.290 1.00 20.00 H new ATOM 0 HA ASP A -1 -41.434 1.752 2.075 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -39.692 2.947 0.964 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -40.788 4.120 1.667 1.00 20.00 H new ATOM 111 N ASP A 0 -39.100 1.429 4.360 1.00 20.00 N ATOM 112 CA ASP A 0 -38.152 0.463 4.915 1.00 20.00 C ATOM 113 C ASP A 0 -38.886 -0.766 5.425 1.00 20.00 C ATOM 114 O ASP A 0 -38.307 -1.840 5.574 1.00 20.00 O ATOM 115 CB ASP A 0 -37.317 1.070 6.044 1.00 20.00 C ATOM 116 CG ASP A 0 -36.026 1.695 5.551 1.00 20.00 C ATOM 117 OD1 ASP A 0 -35.179 0.961 4.993 1.00 20.00 O ATOM 118 OD2 ASP A 0 -35.833 2.916 5.742 1.00 20.00 O ATOM 0 H ASP A 0 -39.264 2.248 4.945 1.00 20.00 H new ATOM 0 HA ASP A 0 -37.474 0.175 4.111 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -37.908 1.827 6.560 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -37.084 0.295 6.774 1.00 20.00 H new ATOM 123 N LYS A 1 -40.172 -0.599 5.685 1.00 20.00 N ATOM 124 CA LYS A 1 -41.019 -1.704 6.102 1.00 20.00 C ATOM 125 C LYS A 1 -41.682 -2.319 4.873 1.00 20.00 C ATOM 126 O LYS A 1 -42.451 -3.274 4.984 1.00 20.00 O ATOM 127 CB LYS A 1 -42.093 -1.210 7.078 1.00 20.00 C ATOM 128 CG LYS A 1 -42.638 -2.284 8.014 1.00 20.00 C ATOM 129 CD LYS A 1 -41.614 -2.673 9.074 1.00 20.00 C ATOM 130 CE LYS A 1 -42.219 -3.581 10.135 1.00 20.00 C ATOM 131 NZ LYS A 1 -41.248 -3.904 11.217 1.00 20.00 N ATOM 0 H LYS A 1 -40.655 0.297 5.614 1.00 20.00 H new ATOM 0 HA LYS A 1 -40.409 -2.454 6.605 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -41.677 -0.400 7.678 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -42.920 -0.790 6.506 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -43.544 -1.920 8.498 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -42.917 -3.165 7.436 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -40.773 -3.178 8.599 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -41.220 -1.773 9.547 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -43.095 -3.098 10.567 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -42.561 -4.505 9.668 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -41.702 -4.524 11.917 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -40.423 -4.388 10.810 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -40.940 -3.026 11.681 1.00 20.00 H new ATOM 145 N ASN A 2 -41.366 -1.748 3.706 1.00 20.00 N ATOM 146 CA ASN A 2 -41.978 -2.127 2.426 1.00 20.00 C ATOM 147 C ASN A 2 -43.454 -1.735 2.408 1.00 20.00 C ATOM 148 O ASN A 2 -43.862 -0.844 1.664 1.00 20.00 O ATOM 149 CB ASN A 2 -41.801 -3.628 2.140 1.00 20.00 C ATOM 150 CG ASN A 2 -42.338 -4.030 0.778 1.00 20.00 C ATOM 151 OD1 ASN A 2 -41.651 -3.904 -0.233 1.00 20.00 O ATOM 152 ND2 ASN A 2 -43.556 -4.545 0.743 1.00 20.00 N ATOM 0 H ASN A 2 -40.673 -1.004 3.621 1.00 20.00 H new ATOM 0 HA ASN A 2 -41.466 -1.584 1.632 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -40.743 -3.883 2.199 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -42.311 -4.204 2.912 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -43.954 -4.853 -0.144 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -44.097 -4.634 1.603 1.00 20.00 H new ATOM 159 N ARG A 3 -44.236 -2.393 3.246 1.00 20.00 N ATOM 160 CA ARG A 3 -45.642 -2.069 3.431 1.00 20.00 C ATOM 161 C ARG A 3 -46.178 -2.878 4.601 1.00 20.00 C ATOM 162 O ARG A 3 -46.526 -2.332 5.644 1.00 20.00 O ATOM 163 CB ARG A 3 -46.464 -2.357 2.166 1.00 20.00 C ATOM 164 CG ARG A 3 -47.919 -1.916 2.273 1.00 20.00 C ATOM 165 CD ARG A 3 -48.715 -2.301 1.037 1.00 20.00 C ATOM 166 NE ARG A 3 -50.103 -1.845 1.121 1.00 20.00 N ATOM 167 CZ ARG A 3 -51.088 -2.296 0.346 1.00 20.00 C ATOM 168 NH1 ARG A 3 -50.846 -3.214 -0.583 1.00 20.00 N ATOM 169 NH2 ARG A 3 -52.318 -1.823 0.496 1.00 20.00 N ATOM 0 H ARG A 3 -43.913 -3.171 3.821 1.00 20.00 H new ATOM 0 HA ARG A 3 -45.731 -1.002 3.636 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -46.001 -1.852 1.318 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -46.431 -3.426 1.956 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -48.373 -2.370 3.154 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -47.963 -0.836 2.412 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -48.244 -1.871 0.153 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -48.695 -3.384 0.914 1.00 20.00 H new ATOM 0 HE ARG A 3 -50.331 -1.136 1.818 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -49.901 -3.578 -0.706 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -51.605 -3.555 -1.173 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -52.509 -1.114 1.204 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -53.073 -2.168 -0.097 1.00 20.00 H new ATOM 183 N ALA A 4 -46.202 -4.191 4.424 1.00 20.00 N ATOM 184 CA ALA A 4 -46.653 -5.098 5.460 1.00 20.00 C ATOM 185 C ALA A 4 -45.598 -6.168 5.707 1.00 20.00 C ATOM 186 O ALA A 4 -45.792 -7.338 5.381 1.00 20.00 O ATOM 187 CB ALA A 4 -47.978 -5.727 5.060 1.00 20.00 C ATOM 0 H ALA A 4 -45.910 -4.652 3.562 1.00 20.00 H new ATOM 0 HA ALA A 4 -46.803 -4.542 6.385 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -48.309 -6.407 5.845 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -48.724 -4.945 4.919 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -47.852 -6.280 4.129 1.00 20.00 H new ATOM 193 N LEU A 5 -44.478 -5.762 6.294 1.00 20.00 N ATOM 194 CA LEU A 5 -43.354 -6.667 6.503 1.00 20.00 C ATOM 195 C LEU A 5 -43.453 -7.342 7.869 1.00 20.00 C ATOM 196 O LEU A 5 -42.455 -7.847 8.397 1.00 20.00 O ATOM 197 CB LEU A 5 -42.030 -5.902 6.378 1.00 20.00 C ATOM 198 CG LEU A 5 -40.763 -6.762 6.267 1.00 20.00 C ATOM 199 CD1 LEU A 5 -40.773 -7.593 4.992 1.00 20.00 C ATOM 200 CD2 LEU A 5 -39.520 -5.885 6.316 1.00 20.00 C ATOM 0 H LEU A 5 -44.324 -4.813 6.633 1.00 20.00 H new ATOM 0 HA LEU A 5 -43.385 -7.442 5.737 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -42.087 -5.259 5.500 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -41.927 -5.249 7.245 1.00 20.00 H new ATOM 0 HG LEU A 5 -40.745 -7.445 7.116 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -39.864 -8.192 4.941 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -41.641 -8.252 4.994 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -40.821 -6.932 4.127 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -38.630 -6.510 6.236 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -39.542 -5.177 5.488 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -39.497 -5.339 7.259 1.00 20.00 H new ATOM 212 N SER A 6 -44.662 -7.327 8.434 1.00 20.00 N ATOM 213 CA SER A 6 -44.964 -8.015 9.687 1.00 20.00 C ATOM 214 C SER A 6 -44.344 -7.296 10.890 1.00 20.00 C ATOM 215 O SER A 6 -43.238 -6.751 10.808 1.00 20.00 O ATOM 216 CB SER A 6 -44.478 -9.473 9.610 1.00 20.00 C ATOM 217 OG SER A 6 -44.731 -10.186 10.808 1.00 20.00 O ATOM 0 H SER A 6 -45.460 -6.835 8.033 1.00 20.00 H new ATOM 0 HA SER A 6 -46.045 -8.006 9.830 1.00 20.00 H new ATOM 0 HB2 SER A 6 -44.973 -9.976 8.779 1.00 20.00 H new ATOM 0 HB3 SER A 6 -43.409 -9.487 9.400 1.00 20.00 H new ATOM 0 HG SER A 6 -44.408 -11.107 10.715 1.00 20.00 H new ATOM 223 N PRO A 7 -45.062 -7.268 12.029 1.00 20.00 N ATOM 224 CA PRO A 7 -44.535 -6.737 13.291 1.00 20.00 C ATOM 225 C PRO A 7 -43.548 -7.711 13.932 1.00 20.00 C ATOM 226 O PRO A 7 -43.667 -8.072 15.105 1.00 20.00 O ATOM 227 CB PRO A 7 -45.787 -6.584 14.158 1.00 20.00 C ATOM 228 CG PRO A 7 -46.727 -7.620 13.645 1.00 20.00 C ATOM 229 CD PRO A 7 -46.456 -7.739 12.168 1.00 20.00 C ATOM 0 HA PRO A 7 -43.985 -5.805 13.161 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -45.561 -6.741 15.213 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -46.212 -5.584 14.069 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -46.567 -8.574 14.148 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -47.762 -7.332 13.829 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -46.568 -8.766 11.822 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -47.145 -7.129 11.584 1.00 20.00 H new ATOM 237 N MET A 8 -42.578 -8.131 13.139 1.00 20.00 N ATOM 238 CA MET A 8 -41.582 -9.103 13.550 1.00 20.00 C ATOM 239 C MET A 8 -40.313 -8.843 12.747 1.00 20.00 C ATOM 240 O MET A 8 -40.322 -7.981 11.867 1.00 20.00 O ATOM 241 CB MET A 8 -42.111 -10.522 13.301 1.00 20.00 C ATOM 242 CG MET A 8 -41.387 -11.609 14.079 1.00 20.00 C ATOM 243 SD MET A 8 -42.123 -13.236 13.835 1.00 20.00 S ATOM 244 CE MET A 8 -41.085 -14.230 14.902 1.00 20.00 C ATOM 0 H MET A 8 -42.459 -7.803 12.181 1.00 20.00 H new ATOM 0 HA MET A 8 -41.365 -9.011 14.614 1.00 20.00 H new ATOM 0 HB2 MET A 8 -43.170 -10.552 13.558 1.00 20.00 H new ATOM 0 HB3 MET A 8 -42.035 -10.743 12.236 1.00 20.00 H new ATOM 0 HG2 MET A 8 -40.342 -11.637 13.772 1.00 20.00 H new ATOM 0 HG3 MET A 8 -41.401 -11.363 15.141 1.00 20.00 H new ATOM 0 HE1 MET A 8 -41.412 -15.269 14.863 1.00 20.00 H new ATOM 0 HE2 MET A 8 -40.050 -14.163 14.568 1.00 20.00 H new ATOM 0 HE3 MET A 8 -41.160 -13.864 15.926 1.00 20.00 H new ATOM 254 N VAL A 9 -39.238 -9.577 13.039 1.00 20.00 N ATOM 255 CA VAL A 9 -37.944 -9.375 12.374 1.00 20.00 C ATOM 256 C VAL A 9 -37.273 -8.103 12.896 1.00 20.00 C ATOM 257 O VAL A 9 -37.908 -7.050 13.016 1.00 20.00 O ATOM 258 CB VAL A 9 -38.077 -9.306 10.829 1.00 20.00 C ATOM 259 CG1 VAL A 9 -36.734 -9.025 10.167 1.00 20.00 C ATOM 260 CG2 VAL A 9 -38.674 -10.596 10.284 1.00 20.00 C ATOM 0 H VAL A 9 -39.236 -10.322 13.736 1.00 20.00 H new ATOM 0 HA VAL A 9 -37.325 -10.241 12.610 1.00 20.00 H new ATOM 0 HB VAL A 9 -38.748 -8.480 10.592 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -36.863 -8.983 9.085 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -36.345 -8.071 10.523 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -36.031 -9.820 10.418 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -38.759 -10.528 9.199 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -38.028 -11.435 10.545 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -39.663 -10.751 10.716 1.00 20.00 H new ATOM 270 N SER A 10 -35.997 -8.217 13.237 1.00 20.00 N ATOM 271 CA SER A 10 -35.254 -7.106 13.812 1.00 20.00 C ATOM 272 C SER A 10 -35.156 -5.934 12.834 1.00 20.00 C ATOM 273 O SER A 10 -34.712 -6.094 11.700 1.00 20.00 O ATOM 274 CB SER A 10 -33.852 -7.574 14.205 1.00 20.00 C ATOM 275 OG SER A 10 -33.911 -8.747 15.003 1.00 20.00 O ATOM 0 H SER A 10 -35.453 -9.073 13.124 1.00 20.00 H new ATOM 0 HA SER A 10 -35.789 -6.761 14.697 1.00 20.00 H new ATOM 0 HB2 SER A 10 -33.265 -7.770 13.307 1.00 20.00 H new ATOM 0 HB3 SER A 10 -33.341 -6.782 14.753 1.00 20.00 H new ATOM 0 HG SER A 10 -33.002 -9.027 15.240 1.00 20.00 H new ATOM 281 N GLU A 11 -35.592 -4.761 13.275 1.00 20.00 N ATOM 282 CA GLU A 11 -35.433 -3.544 12.497 1.00 20.00 C ATOM 283 C GLU A 11 -34.119 -2.871 12.870 1.00 20.00 C ATOM 284 O GLU A 11 -33.766 -2.789 14.049 1.00 20.00 O ATOM 285 CB GLU A 11 -36.611 -2.578 12.710 1.00 20.00 C ATOM 286 CG GLU A 11 -36.874 -2.204 14.163 1.00 20.00 C ATOM 287 CD GLU A 11 -37.566 -3.304 14.942 1.00 20.00 C ATOM 288 OE1 GLU A 11 -38.813 -3.327 14.962 1.00 20.00 O ATOM 289 OE2 GLU A 11 -36.868 -4.155 15.536 1.00 20.00 O ATOM 0 H GLU A 11 -36.060 -4.629 14.172 1.00 20.00 H new ATOM 0 HA GLU A 11 -35.419 -3.811 11.440 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -36.422 -1.666 12.143 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.513 -3.030 12.297 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -35.928 -1.964 14.647 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -37.487 -1.303 14.195 1.00 20.00 H new ATOM 296 N PHE A 12 -33.396 -2.398 11.871 1.00 20.00 N ATOM 297 CA PHE A 12 -32.065 -1.854 12.093 1.00 20.00 C ATOM 298 C PHE A 12 -32.026 -0.369 11.767 1.00 20.00 C ATOM 299 O PHE A 12 -32.927 0.142 11.102 1.00 20.00 O ATOM 300 CB PHE A 12 -31.045 -2.610 11.241 1.00 20.00 C ATOM 301 CG PHE A 12 -31.129 -4.100 11.422 1.00 20.00 C ATOM 302 CD1 PHE A 12 -30.691 -4.693 12.595 1.00 20.00 C ATOM 303 CD2 PHE A 12 -31.661 -4.905 10.427 1.00 20.00 C ATOM 304 CE1 PHE A 12 -30.781 -6.057 12.772 1.00 20.00 C ATOM 305 CE2 PHE A 12 -31.751 -6.271 10.600 1.00 20.00 C ATOM 306 CZ PHE A 12 -31.312 -6.847 11.773 1.00 20.00 C ATOM 0 H PHE A 12 -33.706 -2.379 10.899 1.00 20.00 H new ATOM 0 HA PHE A 12 -31.812 -1.977 13.146 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -31.203 -2.366 10.190 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -30.041 -2.273 11.499 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -30.274 -4.079 13.380 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -32.009 -4.459 9.507 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -30.436 -6.507 13.691 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -32.165 -6.889 9.817 1.00 20.00 H new ATOM 0 HZ PHE A 12 -31.384 -7.916 11.910 1.00 20.00 H new ATOM 316 N GLU A 13 -30.993 0.321 12.233 1.00 20.00 N ATOM 317 CA GLU A 13 -30.840 1.742 11.951 1.00 20.00 C ATOM 318 C GLU A 13 -30.711 1.968 10.443 1.00 20.00 C ATOM 319 O GLU A 13 -31.262 2.925 9.893 1.00 20.00 O ATOM 320 CB GLU A 13 -29.623 2.301 12.692 1.00 20.00 C ATOM 321 CG GLU A 13 -29.583 3.817 12.742 1.00 20.00 C ATOM 322 CD GLU A 13 -28.433 4.338 13.572 1.00 20.00 C ATOM 323 OE1 GLU A 13 -28.509 4.261 14.817 1.00 20.00 O ATOM 324 OE2 GLU A 13 -27.445 4.832 12.991 1.00 20.00 O ATOM 0 H GLU A 13 -30.250 -0.079 12.806 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.726 2.271 12.303 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.619 1.912 13.710 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.716 1.938 12.209 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -29.502 4.209 11.728 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -30.521 4.189 13.153 1.00 20.00 H new ATOM 331 N THR A 14 -30.002 1.068 9.782 1.00 20.00 N ATOM 332 CA THR A 14 -29.894 1.081 8.333 1.00 20.00 C ATOM 333 C THR A 14 -30.172 -0.312 7.772 1.00 20.00 C ATOM 334 O THR A 14 -29.252 -1.089 7.516 1.00 20.00 O ATOM 335 CB THR A 14 -28.505 1.567 7.863 1.00 20.00 C ATOM 336 OG1 THR A 14 -27.467 0.903 8.596 1.00 20.00 O ATOM 337 CG2 THR A 14 -28.363 3.071 8.026 1.00 20.00 C ATOM 0 H THR A 14 -29.487 0.311 10.232 1.00 20.00 H new ATOM 0 HA THR A 14 -30.638 1.783 7.956 1.00 20.00 H new ATOM 0 HB THR A 14 -28.411 1.324 6.805 1.00 20.00 H new ATOM 0 HG1 THR A 14 -27.609 -0.066 8.559 1.00 20.00 H new ATOM 0 HG21 THR A 14 -27.375 3.382 7.687 1.00 20.00 H new ATOM 0 HG22 THR A 14 -29.126 3.575 7.432 1.00 20.00 H new ATOM 0 HG23 THR A 14 -28.486 3.336 9.076 1.00 20.00 H new ATOM 345 N ILE A 15 -31.449 -0.626 7.604 1.00 20.00 N ATOM 346 CA ILE A 15 -31.864 -1.925 7.088 1.00 20.00 C ATOM 347 C ILE A 15 -31.377 -2.116 5.655 1.00 20.00 C ATOM 348 O ILE A 15 -30.891 -3.186 5.290 1.00 20.00 O ATOM 349 CB ILE A 15 -33.399 -2.076 7.129 1.00 20.00 C ATOM 350 CG1 ILE A 15 -33.927 -1.793 8.538 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.807 -3.471 6.681 1.00 20.00 C ATOM 352 CD1 ILE A 15 -35.436 -1.839 8.647 1.00 20.00 C ATOM 0 H ILE A 15 -32.221 0.005 7.819 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.418 -2.688 7.726 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.836 -1.350 6.443 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.500 -2.520 9.228 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -33.579 -0.810 8.855 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -34.893 -3.561 6.716 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -33.461 -3.641 5.662 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.360 -4.211 7.344 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -35.733 -1.629 9.674 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -35.872 -1.092 7.983 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -35.791 -2.829 8.362 1.00 20.00 H new ATOM 364 N GLU A 16 -31.495 -1.058 4.860 1.00 20.00 N ATOM 365 CA GLU A 16 -31.057 -1.078 3.468 1.00 20.00 C ATOM 366 C GLU A 16 -29.579 -1.461 3.385 1.00 20.00 C ATOM 367 O GLU A 16 -29.178 -2.232 2.516 1.00 20.00 O ATOM 368 CB GLU A 16 -31.315 0.295 2.827 1.00 20.00 C ATOM 369 CG GLU A 16 -31.003 0.392 1.334 1.00 20.00 C ATOM 370 CD GLU A 16 -29.521 0.523 1.032 1.00 20.00 C ATOM 371 OE1 GLU A 16 -28.853 1.371 1.663 1.00 20.00 O ATOM 372 OE2 GLU A 16 -29.018 -0.225 0.170 1.00 20.00 O ATOM 0 H GLU A 16 -31.894 -0.168 5.159 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.626 -1.827 2.917 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.362 0.557 2.980 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.720 1.041 3.354 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.391 -0.494 0.832 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.528 1.251 0.916 1.00 20.00 H new ATOM 379 N GLN A 17 -28.785 -0.938 4.315 1.00 20.00 N ATOM 380 CA GLN A 17 -27.360 -1.244 4.376 1.00 20.00 C ATOM 381 C GLN A 17 -27.146 -2.753 4.466 1.00 20.00 C ATOM 382 O GLN A 17 -26.290 -3.317 3.779 1.00 20.00 O ATOM 383 CB GLN A 17 -26.716 -0.560 5.585 1.00 20.00 C ATOM 384 CG GLN A 17 -25.202 -0.481 5.506 1.00 20.00 C ATOM 385 CD GLN A 17 -24.735 0.590 4.539 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.567 0.337 3.348 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.521 1.795 5.046 1.00 20.00 N ATOM 0 H GLN A 17 -29.107 -0.297 5.040 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.891 -0.870 3.466 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.119 0.448 5.678 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.996 -1.100 6.489 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.798 -0.275 6.497 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.805 -1.447 5.195 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.672 1.964 6.040 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.205 2.554 4.442 1.00 20.00 H new ATOM 396 N GLU A 18 -27.953 -3.406 5.297 1.00 20.00 N ATOM 397 CA GLU A 18 -27.863 -4.850 5.467 1.00 20.00 C ATOM 398 C GLU A 18 -28.354 -5.557 4.207 1.00 20.00 C ATOM 399 O GLU A 18 -27.777 -6.555 3.782 1.00 20.00 O ATOM 400 CB GLU A 18 -28.669 -5.317 6.690 1.00 20.00 C ATOM 401 CG GLU A 18 -28.585 -6.817 6.931 1.00 20.00 C ATOM 402 CD GLU A 18 -29.367 -7.280 8.140 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.813 -7.248 9.257 1.00 20.00 O ATOM 404 OE2 GLU A 18 -30.529 -7.708 7.974 1.00 20.00 O ATOM 0 H GLU A 18 -28.675 -2.958 5.862 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.818 -5.108 5.636 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.308 -4.793 7.575 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.714 -5.036 6.557 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.953 -7.340 6.048 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.539 -7.099 7.055 1.00 20.00 H new ATOM 411 N ASN A 19 -29.403 -5.017 3.601 1.00 20.00 N ATOM 412 CA ASN A 19 -29.962 -5.587 2.376 1.00 20.00 C ATOM 413 C ASN A 19 -28.949 -5.538 1.239 1.00 20.00 C ATOM 414 O ASN A 19 -28.954 -6.392 0.354 1.00 20.00 O ATOM 415 CB ASN A 19 -31.233 -4.844 1.952 1.00 20.00 C ATOM 416 CG ASN A 19 -32.382 -4.993 2.934 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.188 -4.079 3.102 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.482 -6.148 3.571 1.00 20.00 N ATOM 0 H ASN A 19 -29.887 -4.184 3.936 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.211 -6.627 2.588 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.002 -3.785 1.834 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.550 -5.212 0.976 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.247 -6.304 4.227 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.794 -6.883 3.406 1.00 20.00 H new ATOM 425 N SER A 20 -28.081 -4.539 1.267 1.00 20.00 N ATOM 426 CA SER A 20 -27.087 -4.372 0.223 1.00 20.00 C ATOM 427 C SER A 20 -25.931 -5.359 0.395 1.00 20.00 C ATOM 428 O SER A 20 -25.588 -6.093 -0.534 1.00 20.00 O ATOM 429 CB SER A 20 -26.566 -2.927 0.209 1.00 20.00 C ATOM 430 OG SER A 20 -25.656 -2.716 -0.857 1.00 20.00 O ATOM 0 H SER A 20 -28.046 -3.833 2.002 1.00 20.00 H new ATOM 0 HA SER A 20 -27.564 -4.582 -0.734 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.405 -2.237 0.115 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.076 -2.706 1.157 1.00 20.00 H new ATOM 0 HG SER A 20 -25.343 -1.787 -0.841 1.00 20.00 H new ATOM 436 N TYR A 21 -25.346 -5.398 1.586 1.00 20.00 N ATOM 437 CA TYR A 21 -24.144 -6.198 1.809 1.00 20.00 C ATOM 438 C TYR A 21 -24.466 -7.596 2.324 1.00 20.00 C ATOM 439 O TYR A 21 -23.978 -8.593 1.786 1.00 20.00 O ATOM 440 CB TYR A 21 -23.207 -5.497 2.794 1.00 20.00 C ATOM 441 CG TYR A 21 -22.675 -4.176 2.294 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.707 -4.128 1.298 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.130 -2.976 2.823 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.209 -2.922 0.845 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.638 -1.768 2.374 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.679 -1.746 1.387 1.00 20.00 C ATOM 447 OH TYR A 21 -21.186 -0.542 0.944 1.00 20.00 O ATOM 0 H TYR A 21 -25.679 -4.891 2.406 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.652 -6.301 0.842 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.738 -5.333 3.732 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.367 -6.156 3.014 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.338 -5.049 0.871 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.881 -2.988 3.599 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.456 -2.901 0.071 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.004 -0.843 2.795 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.624 0.189 1.428 1.00 20.00 H new ATOM 457 N ASN A 22 -25.303 -7.669 3.346 1.00 20.00 N ATOM 458 CA ASN A 22 -25.517 -8.916 4.076 1.00 20.00 C ATOM 459 C ASN A 22 -26.373 -9.899 3.290 1.00 20.00 C ATOM 460 O ASN A 22 -26.461 -11.071 3.651 1.00 20.00 O ATOM 461 CB ASN A 22 -26.166 -8.658 5.438 1.00 20.00 C ATOM 462 CG ASN A 22 -25.286 -7.858 6.385 1.00 20.00 C ATOM 463 OD1 ASN A 22 -24.510 -6.998 5.966 1.00 20.00 O ATOM 464 ND2 ASN A 22 -25.397 -8.138 7.674 1.00 20.00 N ATOM 0 H ASN A 22 -25.848 -6.880 3.692 1.00 20.00 H new ATOM 0 HA ASN A 22 -24.532 -9.358 4.224 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.105 -8.125 5.289 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -26.411 -9.613 5.902 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -24.829 -7.635 8.356 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.050 -8.857 7.985 1.00 20.00 H new ATOM 471 N GLU A 23 -26.996 -9.428 2.217 1.00 20.00 N ATOM 472 CA GLU A 23 -27.831 -10.285 1.379 1.00 20.00 C ATOM 473 C GLU A 23 -27.016 -11.460 0.837 1.00 20.00 C ATOM 474 O GLU A 23 -27.515 -12.581 0.723 1.00 20.00 O ATOM 475 CB GLU A 23 -28.428 -9.478 0.223 1.00 20.00 C ATOM 476 CG GLU A 23 -29.475 -10.234 -0.582 1.00 20.00 C ATOM 477 CD GLU A 23 -30.707 -10.577 0.233 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.581 -9.702 0.393 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.810 -11.726 0.712 1.00 20.00 O ATOM 0 H GLU A 23 -26.940 -8.458 1.905 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.644 -10.678 1.989 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.878 -8.569 0.622 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.624 -9.169 -0.445 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.770 -9.633 -1.442 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.035 -11.152 -0.971 1.00 20.00 H new ATOM 486 N TRP A 24 -25.755 -11.200 0.520 1.00 20.00 N ATOM 487 CA TRP A 24 -24.867 -12.240 0.018 1.00 20.00 C ATOM 488 C TRP A 24 -24.191 -12.978 1.169 1.00 20.00 C ATOM 489 O TRP A 24 -23.833 -14.150 1.051 1.00 20.00 O ATOM 490 CB TRP A 24 -23.817 -11.638 -0.914 1.00 20.00 C ATOM 491 CG TRP A 24 -24.412 -11.020 -2.139 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.697 -9.699 -2.337 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.810 -11.701 -3.334 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.233 -9.517 -3.587 1.00 20.00 N ATOM 495 CE2 TRP A 24 -25.316 -10.732 -4.217 1.00 20.00 C ATOM 496 CE3 TRP A 24 -24.781 -13.039 -3.743 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -25.791 -11.056 -5.485 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -25.254 -13.359 -5.001 1.00 20.00 C ATOM 499 CH2 TRP A 24 -25.753 -12.371 -5.859 1.00 20.00 C ATOM 0 H TRP A 24 -25.324 -10.279 0.601 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.466 -12.957 -0.544 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.248 -10.883 -0.372 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.113 -12.416 -1.211 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.526 -8.913 -1.616 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.523 -8.623 -3.983 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.396 -13.807 -3.088 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -26.176 -10.296 -6.149 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -25.239 -14.388 -5.328 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -26.115 -12.653 -6.836 1.00 20.00 H new ATOM 510 N LEU A 25 -24.032 -12.283 2.286 1.00 20.00 N ATOM 511 CA LEU A 25 -23.423 -12.865 3.476 1.00 20.00 C ATOM 512 C LEU A 25 -24.362 -13.880 4.112 1.00 20.00 C ATOM 513 O LEU A 25 -23.922 -14.853 4.715 1.00 20.00 O ATOM 514 CB LEU A 25 -23.085 -11.770 4.492 1.00 20.00 C ATOM 515 CG LEU A 25 -22.536 -12.262 5.835 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.210 -12.981 5.649 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.386 -11.098 6.803 1.00 20.00 C ATOM 0 H LEU A 25 -24.318 -11.310 2.394 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.504 -13.370 3.177 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.353 -11.097 4.045 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.984 -11.183 4.680 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.247 -12.973 6.256 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.841 -13.320 6.617 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.351 -13.840 4.993 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.486 -12.299 5.204 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.995 -11.463 7.753 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.697 -10.364 6.385 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.358 -10.632 6.966 1.00 20.00 H new ATOM 529 N ARG A 26 -25.660 -13.644 3.952 1.00 20.00 N ATOM 530 CA ARG A 26 -26.695 -14.476 4.560 1.00 20.00 C ATOM 531 C ARG A 26 -26.521 -15.948 4.184 1.00 20.00 C ATOM 532 O ARG A 26 -26.864 -16.841 4.957 1.00 20.00 O ATOM 533 CB ARG A 26 -28.079 -13.983 4.124 1.00 20.00 C ATOM 534 CG ARG A 26 -29.229 -14.537 4.954 1.00 20.00 C ATOM 535 CD ARG A 26 -29.219 -13.982 6.372 1.00 20.00 C ATOM 536 NE ARG A 26 -29.271 -12.520 6.389 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.710 -11.796 7.420 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.172 -12.391 8.514 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.694 -10.472 7.347 1.00 20.00 N ATOM 0 H ARG A 26 -26.025 -12.870 3.397 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.603 -14.394 5.643 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.098 -12.895 4.178 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.236 -14.253 3.080 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -30.176 -14.291 4.474 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.162 -15.624 4.988 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.070 -14.381 6.924 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.319 -14.319 6.887 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.951 -12.022 5.559 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.193 -13.409 8.571 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -30.506 -11.830 9.298 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.347 -10.012 6.505 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.029 -9.914 8.132 1.00 20.00 H new ATOM 553 N ALA A 27 -25.983 -16.194 2.997 1.00 20.00 N ATOM 554 CA ALA A 27 -25.754 -17.552 2.531 1.00 20.00 C ATOM 555 C ALA A 27 -24.471 -18.126 3.123 1.00 20.00 C ATOM 556 O ALA A 27 -24.421 -19.288 3.521 1.00 20.00 O ATOM 557 CB ALA A 27 -25.692 -17.580 1.012 1.00 20.00 C ATOM 0 H ALA A 27 -25.697 -15.469 2.339 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.586 -18.172 2.865 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.520 -18.602 0.674 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.634 -17.216 0.603 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.877 -16.942 0.669 1.00 20.00 H new ATOM 563 N LYS A 28 -23.443 -17.294 3.208 1.00 20.00 N ATOM 564 CA LYS A 28 -22.129 -17.744 3.648 1.00 20.00 C ATOM 565 C LYS A 28 -22.069 -17.855 5.172 1.00 20.00 C ATOM 566 O LYS A 28 -21.325 -18.665 5.720 1.00 20.00 O ATOM 567 CB LYS A 28 -21.043 -16.788 3.148 1.00 20.00 C ATOM 568 CG LYS A 28 -19.628 -17.279 3.411 1.00 20.00 C ATOM 569 CD LYS A 28 -18.595 -16.261 2.961 1.00 20.00 C ATOM 570 CE LYS A 28 -17.177 -16.797 3.105 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.948 -18.000 2.260 1.00 20.00 N ATOM 0 H LYS A 28 -23.493 -16.302 2.978 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.953 -18.733 3.225 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.172 -16.635 2.077 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.176 -15.818 3.627 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.503 -17.480 4.475 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.465 -18.221 2.887 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.778 -15.992 1.921 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.701 -15.350 3.550 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.465 -16.019 2.829 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.988 -17.046 4.149 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.927 -18.182 2.185 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.416 -18.822 2.692 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.341 -17.838 1.311 1.00 20.00 H new ATOM 585 N VAL A 29 -22.855 -17.038 5.854 1.00 20.00 N ATOM 586 CA VAL A 29 -22.893 -17.059 7.308 1.00 20.00 C ATOM 587 C VAL A 29 -23.733 -18.239 7.803 1.00 20.00 C ATOM 588 O VAL A 29 -23.660 -18.627 8.969 1.00 20.00 O ATOM 589 CB VAL A 29 -23.458 -15.734 7.877 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.960 -15.626 7.656 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.116 -15.586 9.350 1.00 20.00 C ATOM 0 H VAL A 29 -23.476 -16.352 5.425 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.869 -17.173 7.664 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.985 -14.916 7.333 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.322 -14.684 8.068 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.174 -15.661 6.588 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.462 -16.456 8.154 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.524 -14.648 9.726 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.545 -16.418 9.909 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.033 -15.586 9.474 1.00 20.00 H new ATOM 601 N ALA A 30 -24.509 -18.817 6.895 1.00 20.00 N ATOM 602 CA ALA A 30 -25.413 -19.902 7.241 1.00 20.00 C ATOM 603 C ALA A 30 -24.811 -21.262 6.905 1.00 20.00 C ATOM 604 O ALA A 30 -25.313 -22.297 7.344 1.00 20.00 O ATOM 605 CB ALA A 30 -26.743 -19.723 6.528 1.00 20.00 C ATOM 0 H ALA A 30 -24.529 -18.550 5.911 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.577 -19.870 8.318 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.412 -20.541 6.795 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -27.192 -18.776 6.827 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.581 -19.723 5.450 1.00 20.00 H new ATOM 611 N THR A 31 -23.724 -21.265 6.143 1.00 20.00 N ATOM 612 CA THR A 31 -23.108 -22.515 5.719 1.00 20.00 C ATOM 613 C THR A 31 -22.145 -23.049 6.797 1.00 20.00 C ATOM 614 O THR A 31 -20.965 -23.311 6.555 1.00 20.00 O ATOM 615 CB THR A 31 -22.416 -22.367 4.337 1.00 20.00 C ATOM 616 OG1 THR A 31 -22.002 -23.648 3.845 1.00 20.00 O ATOM 617 CG2 THR A 31 -21.223 -21.427 4.389 1.00 20.00 C ATOM 0 H THR A 31 -23.255 -20.423 5.809 1.00 20.00 H new ATOM 0 HA THR A 31 -23.898 -23.256 5.596 1.00 20.00 H new ATOM 0 HB THR A 31 -23.150 -21.934 3.658 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.784 -24.142 3.521 1.00 20.00 H new ATOM 0 HG21 THR A 31 -20.772 -21.356 3.399 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.552 -20.439 4.710 1.00 20.00 H new ATOM 0 HG23 THR A 31 -20.488 -21.811 5.096 1.00 20.00 H new ATOM 625 N SER A 32 -22.679 -23.226 7.999 1.00 20.00 N ATOM 626 CA SER A 32 -21.915 -23.759 9.117 1.00 20.00 C ATOM 627 C SER A 32 -22.853 -24.524 10.052 1.00 20.00 C ATOM 628 O SER A 32 -24.019 -24.146 10.191 1.00 20.00 O ATOM 629 CB SER A 32 -21.213 -22.619 9.867 1.00 20.00 C ATOM 630 OG SER A 32 -20.327 -23.118 10.854 1.00 20.00 O ATOM 0 H SER A 32 -23.649 -23.005 8.224 1.00 20.00 H new ATOM 0 HA SER A 32 -21.151 -24.442 8.745 1.00 20.00 H new ATOM 0 HB2 SER A 32 -20.661 -22.001 9.159 1.00 20.00 H new ATOM 0 HB3 SER A 32 -21.958 -21.977 10.336 1.00 20.00 H new ATOM 0 HG SER A 32 -19.894 -22.369 11.313 1.00 20.00 H new ATOM 636 N LEU A 33 -22.341 -25.587 10.685 1.00 20.00 N ATOM 637 CA LEU A 33 -23.149 -26.457 11.550 1.00 20.00 C ATOM 638 C LEU A 33 -24.286 -27.089 10.744 1.00 20.00 C ATOM 639 O LEU A 33 -25.360 -26.497 10.604 1.00 20.00 O ATOM 640 CB LEU A 33 -23.706 -25.671 12.746 1.00 20.00 C ATOM 641 CG LEU A 33 -24.462 -26.498 13.792 1.00 20.00 C ATOM 642 CD1 LEU A 33 -23.524 -27.470 14.498 1.00 20.00 C ATOM 643 CD2 LEU A 33 -25.142 -25.585 14.802 1.00 20.00 C ATOM 0 H LEU A 33 -21.363 -25.867 10.613 1.00 20.00 H new ATOM 0 HA LEU A 33 -22.510 -27.251 11.937 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -22.878 -25.163 13.241 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -24.375 -24.897 12.369 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.228 -27.079 13.278 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -24.084 -28.045 15.235 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -23.085 -28.148 13.766 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -22.732 -26.913 14.998 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -25.674 -26.188 15.537 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -24.391 -24.977 15.306 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -25.849 -24.935 14.287 1.00 20.00 H new ATOM 655 N ALA A 34 -24.039 -28.295 10.229 1.00 20.00 N ATOM 656 CA ALA A 34 -24.932 -28.928 9.259 1.00 20.00 C ATOM 657 C ALA A 34 -25.014 -28.045 8.024 1.00 20.00 C ATOM 658 O ALA A 34 -26.096 -27.725 7.531 1.00 20.00 O ATOM 659 CB ALA A 34 -26.312 -29.184 9.852 1.00 20.00 C ATOM 0 H ALA A 34 -23.222 -28.855 10.470 1.00 20.00 H new ATOM 0 HA ALA A 34 -24.530 -29.903 8.982 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.948 -29.655 9.103 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -26.220 -29.842 10.716 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.756 -28.238 10.162 1.00 20.00 H new ATOM 665 N ASP A 35 -23.840 -27.666 7.541 1.00 20.00 N ATOM 666 CA ASP A 35 -23.697 -26.643 6.516 1.00 20.00 C ATOM 667 C ASP A 35 -24.355 -27.034 5.195 1.00 20.00 C ATOM 668 O ASP A 35 -24.041 -28.067 4.603 1.00 20.00 O ATOM 669 CB ASP A 35 -22.213 -26.329 6.290 1.00 20.00 C ATOM 670 CG ASP A 35 -21.406 -27.525 5.825 1.00 20.00 C ATOM 671 OD1 ASP A 35 -21.190 -28.453 6.634 1.00 20.00 O ATOM 672 OD2 ASP A 35 -20.974 -27.537 4.651 1.00 20.00 O ATOM 0 H ASP A 35 -22.953 -28.063 7.852 1.00 20.00 H new ATOM 0 HA ASP A 35 -24.213 -25.754 6.879 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -22.127 -25.533 5.551 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -21.785 -25.950 7.218 1.00 20.00 H new ATOM 677 N PRO A 36 -25.322 -26.225 4.746 1.00 20.00 N ATOM 678 CA PRO A 36 -25.878 -26.340 3.404 1.00 20.00 C ATOM 679 C PRO A 36 -24.942 -25.717 2.370 1.00 20.00 C ATOM 680 O PRO A 36 -24.170 -24.806 2.685 1.00 20.00 O ATOM 681 CB PRO A 36 -27.186 -25.553 3.498 1.00 20.00 C ATOM 682 CG PRO A 36 -26.929 -24.526 4.545 1.00 20.00 C ATOM 683 CD PRO A 36 -25.978 -25.158 5.527 1.00 20.00 C ATOM 0 HA PRO A 36 -26.022 -27.373 3.089 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -27.441 -25.092 2.544 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -28.019 -26.200 3.772 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -26.497 -23.625 4.109 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.856 -24.230 5.036 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -25.254 -24.436 5.904 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.505 -25.562 6.391 1.00 20.00 H new ATOM 691 N ARG A 37 -24.993 -26.222 1.150 1.00 20.00 N ATOM 692 CA ARG A 37 -24.164 -25.704 0.074 1.00 20.00 C ATOM 693 C ARG A 37 -24.885 -24.584 -0.665 1.00 20.00 C ATOM 694 O ARG A 37 -25.982 -24.790 -1.189 1.00 20.00 O ATOM 695 CB ARG A 37 -23.797 -26.829 -0.897 1.00 20.00 C ATOM 696 CG ARG A 37 -22.865 -27.868 -0.297 1.00 20.00 C ATOM 697 CD ARG A 37 -21.492 -27.280 -0.021 1.00 20.00 C ATOM 698 NE ARG A 37 -20.605 -28.230 0.645 1.00 20.00 N ATOM 699 CZ ARG A 37 -19.280 -28.230 0.508 1.00 20.00 C ATOM 700 NH1 ARG A 37 -18.690 -27.360 -0.305 1.00 20.00 N ATOM 701 NH2 ARG A 37 -18.546 -29.105 1.181 1.00 20.00 N ATOM 0 H ARG A 37 -25.602 -26.994 0.878 1.00 20.00 H new ATOM 0 HA ARG A 37 -23.249 -25.299 0.506 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -24.710 -27.322 -1.232 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -23.326 -26.397 -1.780 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -23.292 -28.252 0.630 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -22.771 -28.713 -0.979 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -21.040 -26.962 -0.961 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -21.599 -26.390 0.599 1.00 20.00 H new ATOM 0 HE ARG A 37 -21.025 -28.935 1.251 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -19.252 -26.688 -0.828 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -17.675 -27.364 -0.406 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -18.996 -29.777 1.803 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -17.531 -29.106 1.077 1.00 20.00 H new ATOM 715 N PRO A 38 -24.288 -23.379 -0.699 1.00 20.00 N ATOM 716 CA PRO A 38 -24.854 -22.237 -1.423 1.00 20.00 C ATOM 717 C PRO A 38 -25.043 -22.547 -2.901 1.00 20.00 C ATOM 718 O PRO A 38 -24.074 -22.771 -3.629 1.00 20.00 O ATOM 719 CB PRO A 38 -23.812 -21.130 -1.236 1.00 20.00 C ATOM 720 CG PRO A 38 -23.032 -21.532 -0.032 1.00 20.00 C ATOM 721 CD PRO A 38 -23.020 -23.035 -0.033 1.00 20.00 C ATOM 0 HA PRO A 38 -25.842 -21.964 -1.051 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -23.169 -21.042 -2.111 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -24.288 -20.160 -1.092 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -22.018 -21.133 -0.072 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -23.491 -21.145 0.878 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -22.160 -23.431 -0.574 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -22.974 -23.438 0.979 1.00 20.00 H new ATOM 729 N ALA A 39 -26.293 -22.570 -3.332 1.00 20.00 N ATOM 730 CA ALA A 39 -26.634 -22.923 -4.699 1.00 20.00 C ATOM 731 C ALA A 39 -26.008 -21.958 -5.695 1.00 20.00 C ATOM 732 O ALA A 39 -25.936 -20.751 -5.455 1.00 20.00 O ATOM 733 CB ALA A 39 -28.145 -22.953 -4.876 1.00 20.00 C ATOM 0 H ALA A 39 -27.097 -22.345 -2.746 1.00 20.00 H new ATOM 0 HA ALA A 39 -26.232 -23.917 -4.896 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -28.386 -23.219 -5.905 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -28.576 -23.692 -4.200 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -28.557 -21.970 -4.649 1.00 20.00 H new ATOM 739 N ILE A 40 -25.528 -22.507 -6.795 1.00 20.00 N ATOM 740 CA ILE A 40 -24.994 -21.707 -7.881 1.00 20.00 C ATOM 741 C ILE A 40 -26.147 -21.222 -8.754 1.00 20.00 C ATOM 742 O ILE A 40 -26.975 -22.026 -9.194 1.00 20.00 O ATOM 743 CB ILE A 40 -23.988 -22.527 -8.724 1.00 20.00 C ATOM 744 CG1 ILE A 40 -22.832 -23.009 -7.839 1.00 20.00 C ATOM 745 CG2 ILE A 40 -23.460 -21.707 -9.892 1.00 20.00 C ATOM 746 CD1 ILE A 40 -21.824 -23.872 -8.563 1.00 20.00 C ATOM 0 H ILE A 40 -25.497 -23.513 -6.960 1.00 20.00 H new ATOM 0 HA ILE A 40 -24.462 -20.850 -7.467 1.00 20.00 H new ATOM 0 HB ILE A 40 -24.507 -23.395 -9.131 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -22.320 -22.141 -7.423 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -23.240 -23.571 -6.999 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -22.755 -22.306 -10.468 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -24.290 -21.409 -10.532 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -22.956 -20.818 -9.514 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -21.038 -24.173 -7.870 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -22.320 -24.759 -8.956 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -21.386 -23.307 -9.386 1.00 20.00 H new ATOM 758 N PRO A 41 -26.240 -19.897 -8.978 1.00 20.00 N ATOM 759 CA PRO A 41 -27.342 -19.289 -9.733 1.00 20.00 C ATOM 760 C PRO A 41 -27.512 -19.913 -11.116 1.00 20.00 C ATOM 761 O PRO A 41 -26.559 -20.000 -11.894 1.00 20.00 O ATOM 762 CB PRO A 41 -26.946 -17.809 -9.857 1.00 20.00 C ATOM 763 CG PRO A 41 -25.519 -17.725 -9.429 1.00 20.00 C ATOM 764 CD PRO A 41 -25.279 -18.890 -8.509 1.00 20.00 C ATOM 0 HA PRO A 41 -28.298 -19.438 -9.230 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -27.067 -17.458 -10.882 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -27.579 -17.182 -9.229 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -24.853 -17.768 -10.291 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -25.322 -16.782 -8.920 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -24.253 -19.251 -8.577 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -25.454 -18.622 -7.467 1.00 20.00 H new ATOM 772 N HIS A 42 -28.737 -20.335 -11.417 1.00 20.00 N ATOM 773 CA HIS A 42 -29.030 -21.018 -12.670 1.00 20.00 C ATOM 774 C HIS A 42 -28.799 -20.087 -13.858 1.00 20.00 C ATOM 775 O HIS A 42 -28.521 -20.544 -14.967 1.00 20.00 O ATOM 776 CB HIS A 42 -30.473 -21.543 -12.664 1.00 20.00 C ATOM 777 CG HIS A 42 -30.847 -22.348 -13.876 1.00 20.00 C ATOM 778 ND1 HIS A 42 -32.079 -22.258 -14.486 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.151 -23.276 -14.581 1.00 20.00 C ATOM 780 CE1 HIS A 42 -32.126 -23.091 -15.507 1.00 20.00 C ATOM 781 NE2 HIS A 42 -30.971 -23.719 -15.588 1.00 20.00 N ATOM 0 H HIS A 42 -29.545 -20.214 -10.806 1.00 20.00 H new ATOM 0 HA HIS A 42 -28.353 -21.867 -12.769 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.619 -22.158 -11.776 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.154 -20.696 -12.581 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -29.141 -23.604 -14.386 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -32.970 -23.234 -16.166 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -30.726 -24.421 -16.286 1.00 20.00 H new ATOM 790 N ASP A 43 -28.896 -18.784 -13.618 1.00 20.00 N ATOM 791 CA ASP A 43 -28.637 -17.801 -14.662 1.00 20.00 C ATOM 792 C ASP A 43 -27.175 -17.848 -15.082 1.00 20.00 C ATOM 793 O ASP A 43 -26.859 -17.773 -16.268 1.00 20.00 O ATOM 794 CB ASP A 43 -29.011 -16.391 -14.202 1.00 20.00 C ATOM 795 CG ASP A 43 -28.710 -15.342 -15.253 1.00 20.00 C ATOM 796 OD1 ASP A 43 -29.304 -15.404 -16.350 1.00 20.00 O ATOM 797 OD2 ASP A 43 -27.891 -14.437 -14.983 1.00 20.00 O ATOM 0 H ASP A 43 -29.151 -18.386 -12.714 1.00 20.00 H new ATOM 0 HA ASP A 43 -29.260 -18.052 -15.520 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -30.073 -16.361 -13.957 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -28.466 -16.153 -13.289 1.00 20.00 H new ATOM 802 N GLU A 44 -26.286 -18.006 -14.105 1.00 20.00 N ATOM 803 CA GLU A 44 -24.861 -18.123 -14.383 1.00 20.00 C ATOM 804 C GLU A 44 -24.593 -19.374 -15.207 1.00 20.00 C ATOM 805 O GLU A 44 -23.784 -19.360 -16.136 1.00 20.00 O ATOM 806 CB GLU A 44 -24.052 -18.172 -13.084 1.00 20.00 C ATOM 807 CG GLU A 44 -22.560 -18.352 -13.312 1.00 20.00 C ATOM 808 CD GLU A 44 -21.773 -18.444 -12.024 1.00 20.00 C ATOM 809 OE1 GLU A 44 -21.415 -17.388 -11.463 1.00 20.00 O ATOM 810 OE2 GLU A 44 -21.494 -19.571 -11.571 1.00 20.00 O ATOM 0 H GLU A 44 -26.529 -18.056 -13.116 1.00 20.00 H new ATOM 0 HA GLU A 44 -24.550 -17.244 -14.948 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -24.219 -17.251 -12.525 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -24.420 -18.991 -12.466 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -22.394 -19.256 -13.898 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -22.185 -17.516 -13.902 1.00 20.00 H new ATOM 817 N VAL A 45 -25.296 -20.444 -14.868 1.00 20.00 N ATOM 818 CA VAL A 45 -25.185 -21.702 -15.591 1.00 20.00 C ATOM 819 C VAL A 45 -25.661 -21.533 -17.032 1.00 20.00 C ATOM 820 O VAL A 45 -25.068 -22.078 -17.962 1.00 20.00 O ATOM 821 CB VAL A 45 -25.997 -22.813 -14.896 1.00 20.00 C ATOM 822 CG1 VAL A 45 -25.912 -24.118 -15.669 1.00 20.00 C ATOM 823 CG2 VAL A 45 -25.512 -23.007 -13.468 1.00 20.00 C ATOM 0 H VAL A 45 -25.955 -20.466 -14.090 1.00 20.00 H new ATOM 0 HA VAL A 45 -24.135 -21.994 -15.596 1.00 20.00 H new ATOM 0 HB VAL A 45 -27.042 -22.505 -14.872 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -26.494 -24.883 -15.156 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.310 -23.972 -16.673 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -24.871 -24.436 -15.733 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -26.094 -23.794 -12.990 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -24.459 -23.289 -13.476 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -25.634 -22.077 -12.913 1.00 20.00 H new ATOM 833 N GLU A 46 -26.718 -20.752 -17.211 1.00 20.00 N ATOM 834 CA GLU A 46 -27.237 -20.466 -18.544 1.00 20.00 C ATOM 835 C GLU A 46 -26.237 -19.623 -19.334 1.00 20.00 C ATOM 836 O GLU A 46 -26.073 -19.801 -20.541 1.00 20.00 O ATOM 837 CB GLU A 46 -28.588 -19.749 -18.458 1.00 20.00 C ATOM 838 CG GLU A 46 -29.256 -19.543 -19.808 1.00 20.00 C ATOM 839 CD GLU A 46 -30.565 -18.794 -19.696 1.00 20.00 C ATOM 840 OE1 GLU A 46 -30.536 -17.554 -19.570 1.00 20.00 O ATOM 841 OE2 GLU A 46 -31.630 -19.439 -19.726 1.00 20.00 O ATOM 0 H GLU A 46 -27.233 -20.305 -16.452 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.384 -21.412 -19.064 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -29.255 -20.325 -17.816 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -28.445 -18.779 -17.981 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.581 -18.993 -20.464 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.434 -20.512 -20.274 1.00 20.00 H new ATOM 848 N ARG A 47 -25.559 -18.708 -18.647 1.00 20.00 N ATOM 849 CA ARG A 47 -24.518 -17.902 -19.279 1.00 20.00 C ATOM 850 C ARG A 47 -23.319 -18.783 -19.619 1.00 20.00 C ATOM 851 O ARG A 47 -22.585 -18.518 -20.568 1.00 20.00 O ATOM 852 CB ARG A 47 -24.079 -16.744 -18.371 1.00 20.00 C ATOM 853 CG ARG A 47 -25.214 -15.829 -17.939 1.00 20.00 C ATOM 854 CD ARG A 47 -24.705 -14.576 -17.235 1.00 20.00 C ATOM 855 NE ARG A 47 -23.729 -14.872 -16.183 1.00 20.00 N ATOM 856 CZ ARG A 47 -23.971 -14.763 -14.875 1.00 20.00 C ATOM 857 NH1 ARG A 47 -25.190 -14.476 -14.432 1.00 20.00 N ATOM 858 NH2 ARG A 47 -22.988 -14.958 -14.005 1.00 20.00 N ATOM 0 H ARG A 47 -25.710 -18.507 -17.659 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.928 -17.474 -20.194 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -23.600 -17.155 -17.482 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.328 -16.152 -18.893 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -25.799 -15.541 -18.812 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.883 -16.372 -17.272 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -24.250 -13.912 -17.970 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -25.549 -14.041 -16.801 1.00 20.00 H new ATOM 0 HE ARG A 47 -22.801 -15.183 -16.470 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -25.953 -14.336 -15.094 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -25.363 -14.395 -13.430 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -22.052 -15.190 -14.337 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.169 -14.876 -13.005 1.00 20.00 H new ATOM 872 N ARG A 48 -23.144 -19.840 -18.837 1.00 20.00 N ATOM 873 CA ARG A 48 -22.058 -20.788 -19.042 1.00 20.00 C ATOM 874 C ARG A 48 -22.370 -21.689 -20.233 1.00 20.00 C ATOM 875 O ARG A 48 -21.484 -22.057 -21.005 1.00 20.00 O ATOM 876 CB ARG A 48 -21.857 -21.625 -17.775 1.00 20.00 C ATOM 877 CG ARG A 48 -20.582 -22.448 -17.774 1.00 20.00 C ATOM 878 CD ARG A 48 -20.410 -23.205 -16.466 1.00 20.00 C ATOM 879 NE ARG A 48 -21.414 -24.258 -16.298 1.00 20.00 N ATOM 880 CZ ARG A 48 -21.949 -24.606 -15.126 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.666 -23.915 -14.027 1.00 20.00 N ATOM 882 NH2 ARG A 48 -22.787 -25.633 -15.060 1.00 20.00 N ATOM 0 H ARG A 48 -23.748 -20.063 -18.046 1.00 20.00 H new ATOM 0 HA ARG A 48 -21.138 -20.242 -19.252 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -21.849 -20.961 -16.911 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -22.709 -22.294 -17.655 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -20.602 -23.154 -18.604 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -19.725 -21.794 -17.933 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -19.414 -23.647 -16.433 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -20.477 -22.506 -15.632 1.00 20.00 H new ATOM 0 HE ARG A 48 -21.725 -24.758 -17.131 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -21.037 -23.114 -14.076 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.078 -24.186 -13.134 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -23.021 -26.155 -15.904 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -23.197 -25.900 -14.165 1.00 20.00 H new ATOM 896 N MET A 49 -23.644 -22.032 -20.381 1.00 20.00 N ATOM 897 CA MET A 49 -24.099 -22.827 -21.516 1.00 20.00 C ATOM 898 C MET A 49 -24.005 -22.013 -22.796 1.00 20.00 C ATOM 899 O MET A 49 -23.697 -22.545 -23.862 1.00 20.00 O ATOM 900 CB MET A 49 -25.536 -23.310 -21.303 1.00 20.00 C ATOM 901 CG MET A 49 -25.667 -24.403 -20.257 1.00 20.00 C ATOM 902 SD MET A 49 -27.381 -24.882 -19.966 1.00 20.00 S ATOM 903 CE MET A 49 -27.166 -26.173 -18.743 1.00 20.00 C ATOM 0 H MET A 49 -24.382 -21.771 -19.727 1.00 20.00 H new ATOM 0 HA MET A 49 -23.454 -23.701 -21.602 1.00 20.00 H new ATOM 0 HB2 MET A 49 -26.154 -22.462 -21.008 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.930 -23.678 -22.250 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.099 -25.277 -20.576 1.00 20.00 H new ATOM 0 HG3 MET A 49 -25.225 -24.060 -19.321 1.00 20.00 H new ATOM 0 HE1 MET A 49 -28.111 -26.349 -18.230 1.00 20.00 H new ATOM 0 HE2 MET A 49 -26.844 -27.091 -19.235 1.00 20.00 H new ATOM 0 HE3 MET A 49 -26.412 -25.866 -18.019 1.00 20.00 H new ATOM 913 N ALA A 50 -24.253 -20.714 -22.675 1.00 20.00 N ATOM 914 CA ALA A 50 -24.131 -19.790 -23.793 1.00 20.00 C ATOM 915 C ALA A 50 -22.727 -19.832 -24.381 1.00 20.00 C ATOM 916 O ALA A 50 -22.533 -19.620 -25.577 1.00 20.00 O ATOM 917 CB ALA A 50 -24.468 -18.381 -23.344 1.00 20.00 C ATOM 0 H ALA A 50 -24.543 -20.274 -21.802 1.00 20.00 H new ATOM 0 HA ALA A 50 -24.835 -20.095 -24.568 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -24.374 -17.698 -24.188 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -25.491 -18.354 -22.968 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -23.782 -18.077 -22.553 1.00 20.00 H new ATOM 923 N GLU A 51 -21.756 -20.136 -23.527 1.00 20.00 N ATOM 924 CA GLU A 51 -20.359 -20.200 -23.935 1.00 20.00 C ATOM 925 C GLU A 51 -20.130 -21.367 -24.888 1.00 20.00 C ATOM 926 O GLU A 51 -19.168 -21.377 -25.655 1.00 20.00 O ATOM 927 CB GLU A 51 -19.449 -20.332 -22.715 1.00 20.00 C ATOM 928 CG GLU A 51 -19.623 -19.215 -21.698 1.00 20.00 C ATOM 929 CD GLU A 51 -18.619 -19.294 -20.571 1.00 20.00 C ATOM 930 OE1 GLU A 51 -18.799 -20.123 -19.658 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.637 -18.525 -20.598 1.00 20.00 O ATOM 0 H GLU A 51 -21.914 -20.343 -22.541 1.00 20.00 H new ATOM 0 HA GLU A 51 -20.115 -19.273 -24.455 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -19.645 -21.288 -22.229 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -18.411 -20.350 -23.047 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -19.525 -18.253 -22.200 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -20.631 -19.258 -21.285 1.00 20.00 H new ATOM 938 N ARG A 52 -21.020 -22.351 -24.834 1.00 20.00 N ATOM 939 CA ARG A 52 -20.977 -23.468 -25.763 1.00 20.00 C ATOM 940 C ARG A 52 -21.507 -23.028 -27.120 1.00 20.00 C ATOM 941 O ARG A 52 -20.882 -23.272 -28.151 1.00 20.00 O ATOM 942 CB ARG A 52 -21.795 -24.660 -25.246 1.00 20.00 C ATOM 943 CG ARG A 52 -21.067 -25.547 -24.242 1.00 20.00 C ATOM 944 CD ARG A 52 -20.785 -24.834 -22.930 1.00 20.00 C ATOM 945 NE ARG A 52 -20.061 -25.696 -21.997 1.00 20.00 N ATOM 946 CZ ARG A 52 -19.391 -25.254 -20.933 1.00 20.00 C ATOM 947 NH1 ARG A 52 -19.378 -23.959 -20.639 1.00 20.00 N ATOM 948 NH2 ARG A 52 -18.743 -26.114 -20.155 1.00 20.00 N ATOM 0 H ARG A 52 -21.780 -22.396 -24.155 1.00 20.00 H new ATOM 0 HA ARG A 52 -19.940 -23.788 -25.859 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -22.707 -24.283 -24.783 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -22.098 -25.271 -26.096 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -21.666 -26.436 -24.047 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -20.127 -25.886 -24.677 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.202 -23.933 -23.122 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -21.725 -24.515 -22.478 1.00 20.00 H new ATOM 0 HE ARG A 52 -20.069 -26.701 -22.172 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -19.882 -23.297 -21.229 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.864 -23.626 -19.823 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -18.759 -27.110 -20.372 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -18.230 -25.778 -19.340 1.00 20.00 H new ATOM 962 N PHE A 53 -22.653 -22.353 -27.106 1.00 20.00 N ATOM 963 CA PHE A 53 -23.276 -21.860 -28.329 1.00 20.00 C ATOM 964 C PHE A 53 -22.375 -20.849 -29.025 1.00 20.00 C ATOM 965 O PHE A 53 -22.331 -20.783 -30.254 1.00 20.00 O ATOM 966 CB PHE A 53 -24.632 -21.224 -28.016 1.00 20.00 C ATOM 967 CG PHE A 53 -25.646 -22.200 -27.488 1.00 20.00 C ATOM 968 CD1 PHE A 53 -26.474 -22.893 -28.355 1.00 20.00 C ATOM 969 CD2 PHE A 53 -25.770 -22.423 -26.128 1.00 20.00 C ATOM 970 CE1 PHE A 53 -27.407 -23.790 -27.874 1.00 20.00 C ATOM 971 CE2 PHE A 53 -26.701 -23.319 -25.641 1.00 20.00 C ATOM 972 CZ PHE A 53 -27.520 -24.004 -26.516 1.00 20.00 C ATOM 0 H PHE A 53 -23.171 -22.134 -26.255 1.00 20.00 H new ATOM 0 HA PHE A 53 -23.428 -22.707 -28.998 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -24.491 -20.428 -27.285 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -25.024 -20.759 -28.921 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -26.389 -22.730 -29.419 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.131 -21.890 -25.439 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -28.048 -24.324 -28.560 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -26.788 -23.484 -24.577 1.00 20.00 H new ATOM 0 HZ PHE A 53 -28.248 -24.706 -26.138 1.00 20.00 H new ATOM 982 N ALA A 54 -21.649 -20.075 -28.230 1.00 20.00 N ATOM 983 CA ALA A 54 -20.704 -19.103 -28.755 1.00 20.00 C ATOM 984 C ALA A 54 -19.611 -19.786 -29.572 1.00 20.00 C ATOM 985 O ALA A 54 -19.145 -19.252 -30.580 1.00 20.00 O ATOM 986 CB ALA A 54 -20.095 -18.303 -27.619 1.00 20.00 C ATOM 0 H ALA A 54 -21.698 -20.103 -27.212 1.00 20.00 H new ATOM 0 HA ALA A 54 -21.243 -18.425 -29.417 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -19.389 -17.578 -28.023 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -20.884 -17.779 -27.079 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -19.574 -18.976 -26.938 1.00 20.00 H new ATOM 992 N LYS A 55 -19.216 -20.975 -29.139 1.00 20.00 N ATOM 993 CA LYS A 55 -18.197 -21.743 -29.839 1.00 20.00 C ATOM 994 C LYS A 55 -18.812 -22.497 -31.012 1.00 20.00 C ATOM 995 O LYS A 55 -18.138 -22.795 -31.997 1.00 20.00 O ATOM 996 CB LYS A 55 -17.510 -22.716 -28.882 1.00 20.00 C ATOM 997 CG LYS A 55 -16.766 -22.033 -27.744 1.00 20.00 C ATOM 998 CD LYS A 55 -16.101 -23.042 -26.828 1.00 20.00 C ATOM 999 CE LYS A 55 -15.360 -22.362 -25.687 1.00 20.00 C ATOM 1000 NZ LYS A 55 -16.268 -21.555 -24.829 1.00 20.00 N ATOM 0 H LYS A 55 -19.587 -21.429 -28.304 1.00 20.00 H new ATOM 0 HA LYS A 55 -17.448 -21.052 -30.226 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -18.258 -23.389 -28.463 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -16.808 -23.331 -29.445 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -16.013 -21.360 -28.153 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -17.461 -21.421 -27.169 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -16.854 -23.717 -26.422 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -15.404 -23.652 -27.403 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -14.863 -23.117 -25.078 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -14.581 -21.718 -26.095 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -16.038 -20.546 -24.932 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -17.254 -21.716 -25.119 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -16.148 -21.837 -23.835 1.00 20.00 H new ATOM 1014 N MET A 56 -20.100 -22.790 -30.904 1.00 20.00 N ATOM 1015 CA MET A 56 -20.831 -23.451 -31.980 1.00 20.00 C ATOM 1016 C MET A 56 -21.003 -22.500 -33.156 1.00 20.00 C ATOM 1017 O MET A 56 -21.089 -22.925 -34.306 1.00 20.00 O ATOM 1018 CB MET A 56 -22.203 -23.928 -31.497 1.00 20.00 C ATOM 1019 CG MET A 56 -22.166 -24.980 -30.391 1.00 20.00 C ATOM 1020 SD MET A 56 -21.426 -26.551 -30.899 1.00 20.00 S ATOM 1021 CE MET A 56 -19.686 -26.259 -30.577 1.00 20.00 C ATOM 0 H MET A 56 -20.663 -22.580 -30.080 1.00 20.00 H new ATOM 0 HA MET A 56 -20.255 -24.320 -32.298 1.00 20.00 H new ATOM 0 HB2 MET A 56 -22.766 -23.066 -31.139 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.750 -24.335 -32.347 1.00 20.00 H new ATOM 0 HG2 MET A 56 -21.607 -24.583 -29.544 1.00 20.00 H new ATOM 0 HG3 MET A 56 -23.183 -25.164 -30.044 1.00 20.00 H new ATOM 0 HE1 MET A 56 -19.110 -27.140 -30.862 1.00 20.00 H new ATOM 0 HE2 MET A 56 -19.347 -25.401 -31.158 1.00 20.00 H new ATOM 0 HE3 MET A 56 -19.541 -26.059 -29.515 1.00 20.00 H new ATOM 1031 N ARG A 57 -21.029 -21.208 -32.853 1.00 20.00 N ATOM 1032 CA ARG A 57 -21.173 -20.171 -33.869 1.00 20.00 C ATOM 1033 C ARG A 57 -19.937 -20.119 -34.770 1.00 20.00 C ATOM 1034 O ARG A 57 -19.969 -19.541 -35.856 1.00 20.00 O ATOM 1035 CB ARG A 57 -21.400 -18.815 -33.194 1.00 20.00 C ATOM 1036 CG ARG A 57 -21.701 -17.680 -34.160 1.00 20.00 C ATOM 1037 CD ARG A 57 -21.866 -16.359 -33.424 1.00 20.00 C ATOM 1038 NE ARG A 57 -22.122 -15.245 -34.335 1.00 20.00 N ATOM 1039 CZ ARG A 57 -21.596 -14.029 -34.191 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -20.779 -13.769 -33.176 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -21.892 -13.072 -35.063 1.00 20.00 N ATOM 0 H ARG A 57 -20.951 -20.850 -31.901 1.00 20.00 H new ATOM 0 HA ARG A 57 -22.035 -20.408 -34.493 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -22.227 -18.906 -32.490 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.514 -18.558 -32.614 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -20.894 -17.595 -34.888 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -22.611 -17.905 -34.717 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.689 -16.441 -32.714 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -20.965 -16.153 -32.846 1.00 20.00 H new ATOM 0 HE ARG A 57 -22.741 -15.408 -35.129 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -20.552 -14.501 -32.503 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -20.379 -12.837 -33.069 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.521 -13.268 -35.842 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -21.490 -12.141 -34.954 1.00 20.00 H new ATOM 1055 N LYS A 58 -18.856 -20.755 -34.326 1.00 20.00 N ATOM 1056 CA LYS A 58 -17.605 -20.775 -35.077 1.00 20.00 C ATOM 1057 C LYS A 58 -17.639 -21.834 -36.179 1.00 20.00 C ATOM 1058 O LYS A 58 -16.591 -22.215 -36.708 1.00 20.00 O ATOM 1059 CB LYS A 58 -16.426 -21.064 -34.142 1.00 20.00 C ATOM 1060 CG LYS A 58 -16.274 -20.070 -33.000 1.00 20.00 C ATOM 1061 CD LYS A 58 -15.123 -20.458 -32.084 1.00 20.00 C ATOM 1062 CE LYS A 58 -14.998 -19.518 -30.894 1.00 20.00 C ATOM 1063 NZ LYS A 58 -14.707 -18.118 -31.307 1.00 20.00 N ATOM 0 H LYS A 58 -18.822 -21.266 -33.444 1.00 20.00 H new ATOM 0 HA LYS A 58 -17.480 -19.793 -35.534 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -16.545 -22.064 -33.724 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -15.506 -21.071 -34.727 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -16.101 -19.072 -33.403 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -17.200 -20.026 -32.427 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -15.272 -21.477 -31.727 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -14.192 -20.452 -32.650 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -15.923 -19.540 -30.318 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -14.205 -19.872 -30.236 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -14.497 -17.544 -30.465 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -13.887 -18.108 -31.946 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -15.534 -17.722 -31.798 1.00 20.00 H new ATOM 1077 N GLU A 59 -18.841 -22.304 -36.514 1.00 20.00 N ATOM 1078 CA GLU A 59 -19.023 -23.353 -37.517 1.00 20.00 C ATOM 1079 C GLU A 59 -18.333 -24.632 -37.061 1.00 20.00 C ATOM 1080 O GLU A 59 -17.660 -25.311 -37.838 1.00 20.00 O ATOM 1081 CB GLU A 59 -18.487 -22.911 -38.881 1.00 20.00 C ATOM 1082 CG GLU A 59 -19.174 -21.672 -39.430 1.00 20.00 C ATOM 1083 CD GLU A 59 -18.588 -21.221 -40.748 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -17.541 -20.545 -40.734 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -19.178 -21.531 -41.805 1.00 20.00 O ATOM 0 H GLU A 59 -19.711 -21.970 -36.100 1.00 20.00 H new ATOM 0 HA GLU A 59 -20.091 -23.544 -37.625 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -17.418 -22.717 -38.797 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -18.607 -23.728 -39.592 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -20.237 -21.877 -39.560 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -19.092 -20.863 -38.704 1.00 20.00 H new ATOM 1092 N ARG A 60 -18.506 -24.941 -35.786 1.00 20.00 N ATOM 1093 CA ARG A 60 -17.866 -26.095 -35.177 1.00 20.00 C ATOM 1094 C ARG A 60 -18.660 -27.364 -35.471 1.00 20.00 C ATOM 1095 O ARG A 60 -19.524 -27.767 -34.689 1.00 20.00 O ATOM 1096 CB ARG A 60 -17.740 -25.883 -33.662 1.00 20.00 C ATOM 1097 CG ARG A 60 -16.984 -26.988 -32.935 1.00 20.00 C ATOM 1098 CD ARG A 60 -15.514 -27.026 -33.329 1.00 20.00 C ATOM 1099 NE ARG A 60 -14.813 -25.792 -32.975 1.00 20.00 N ATOM 1100 CZ ARG A 60 -13.693 -25.374 -33.568 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -13.147 -26.086 -34.543 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -13.117 -24.245 -33.178 1.00 20.00 N ATOM 0 H ARG A 60 -19.091 -24.402 -35.147 1.00 20.00 H new ATOM 0 HA ARG A 60 -16.869 -26.209 -35.603 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -17.236 -24.934 -33.480 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -18.739 -25.800 -33.234 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -17.067 -26.837 -31.859 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -17.445 -27.950 -33.159 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -15.030 -27.870 -32.838 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -15.432 -27.193 -34.403 1.00 20.00 H new ATOM 0 HE ARG A 60 -15.204 -25.216 -32.230 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -13.583 -26.958 -34.843 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -12.291 -25.762 -34.993 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -13.530 -23.696 -32.424 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -12.261 -23.926 -33.632 1.00 20.00 H new ATOM 1116 N SER A 61 -18.381 -27.976 -36.609 1.00 20.00 N ATOM 1117 CA SER A 61 -19.017 -29.229 -36.977 1.00 20.00 C ATOM 1118 C SER A 61 -18.311 -30.392 -36.284 1.00 20.00 C ATOM 1119 O SER A 61 -17.409 -31.009 -36.855 1.00 20.00 O ATOM 1120 CB SER A 61 -18.988 -29.403 -38.495 1.00 20.00 C ATOM 1121 OG SER A 61 -19.600 -28.298 -39.139 1.00 20.00 O ATOM 0 H SER A 61 -17.715 -27.624 -37.297 1.00 20.00 H new ATOM 0 HA SER A 61 -20.058 -29.214 -36.653 1.00 20.00 H new ATOM 0 HB2 SER A 61 -17.957 -29.503 -38.835 1.00 20.00 H new ATOM 0 HB3 SER A 61 -19.505 -30.322 -38.770 1.00 20.00 H new ATOM 0 HG SER A 61 -19.570 -28.427 -40.110 1.00 20.00 H new ATOM 1127 N LYS A 62 -18.726 -30.666 -35.044 1.00 20.00 N ATOM 1128 CA LYS A 62 -18.102 -31.678 -34.181 1.00 20.00 C ATOM 1129 C LYS A 62 -16.727 -31.215 -33.694 1.00 20.00 C ATOM 1130 O LYS A 62 -16.480 -31.151 -32.489 1.00 20.00 O ATOM 1131 CB LYS A 62 -18.004 -33.057 -34.862 1.00 20.00 C ATOM 1132 CG LYS A 62 -19.329 -33.814 -34.937 1.00 20.00 C ATOM 1133 CD LYS A 62 -20.236 -33.301 -36.049 1.00 20.00 C ATOM 1134 CE LYS A 62 -19.679 -33.634 -37.425 1.00 20.00 C ATOM 1135 NZ LYS A 62 -20.601 -33.222 -38.515 1.00 20.00 N ATOM 0 H LYS A 62 -19.513 -30.188 -34.605 1.00 20.00 H new ATOM 0 HA LYS A 62 -18.755 -31.795 -33.316 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -17.617 -32.924 -35.872 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -17.280 -33.666 -34.321 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -19.129 -34.874 -35.096 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -19.847 -33.727 -33.982 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -21.228 -33.740 -35.942 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -20.353 -32.221 -35.955 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -18.718 -33.137 -37.557 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -19.495 -34.706 -37.492 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -20.183 -33.467 -39.435 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -21.510 -33.715 -38.406 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -20.756 -32.195 -38.468 1.00 20.00 H new ATOM 1149 N GLN A 63 -15.845 -30.872 -34.625 1.00 20.00 N ATOM 1150 CA GLN A 63 -14.514 -30.396 -34.283 1.00 20.00 C ATOM 1151 C GLN A 63 -13.882 -29.711 -35.487 1.00 20.00 C ATOM 1152 O GLN A 63 -13.832 -28.467 -35.509 1.00 20.00 O ATOM 1153 CB GLN A 63 -13.627 -31.549 -33.808 1.00 20.00 C ATOM 1154 CG GLN A 63 -12.359 -31.088 -33.106 1.00 20.00 C ATOM 1155 CD GLN A 63 -12.643 -30.284 -31.846 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -11.874 -29.395 -31.476 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -13.739 -30.595 -31.172 1.00 20.00 N ATOM 1158 OXT GLN A 63 -13.464 -30.420 -36.423 1.00 20.00 O ATOM 0 H GLN A 63 -16.031 -30.916 -35.627 1.00 20.00 H new ATOM 0 HA GLN A 63 -14.605 -29.678 -33.468 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -14.199 -32.182 -33.129 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -13.355 -32.165 -34.665 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -11.755 -31.958 -32.848 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -11.768 -30.482 -33.793 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -14.352 -31.337 -31.509 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -13.971 -30.092 -30.315 1.00 20.00 H new TER 1167 GLN A 63