USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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 Set 1.1: A 2 ASN : amide:sc= 0.0126 K(o=0.052,f=-11!) USER MOD Set 1.2: A 6 SER OG : rot 11:sc= 0.0396 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -151:sc= 0 (180deg=-0.0148) USER MOD Single : A -4 LYS NZ :NH3+ -170:sc=-0.00231 (180deg=-0.125) 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+ 165:sc= 2.17 (180deg=1.72!) USER MOD Single : A 10 SER OG : rot -51:sc= 0.14 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.08 K(o=1.1,f=-0.00088) 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= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -33:sc= -0.128 USER MOD Single : A 32 SER OG : rot -1:sc= 0.276 USER MOD Single : A 42 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.011) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.065 (180deg=-0.679) USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.523) USER MOD Single : A 56 MET CE :methyl -167:sc= -0.0374 (180deg=-0.321) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -1.44 (180deg=-2.86!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0863) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -44.673 24.673 -1.307 1.00 20.00 N ATOM 2 CA MET A -7 -44.535 26.098 -1.684 1.00 20.00 C ATOM 3 C MET A -7 -45.026 26.290 -3.107 1.00 20.00 C ATOM 4 O MET A -7 -44.557 25.604 -4.019 1.00 20.00 O ATOM 5 CB MET A -7 -43.077 26.561 -1.558 1.00 20.00 C ATOM 6 CG MET A -7 -42.542 26.538 -0.131 1.00 20.00 C ATOM 7 SD MET A -7 -42.495 24.877 0.580 1.00 20.00 S ATOM 8 CE MET A -7 -41.798 25.209 2.194 1.00 20.00 C ATOM 0 H1 MET A -7 -44.116 24.485 -0.449 1.00 20.00 H new ATOM 0 H2 MET A -7 -45.674 24.458 -1.124 1.00 20.00 H new ATOM 0 H3 MET A -7 -44.326 24.073 -2.083 1.00 20.00 H new ATOM 0 HA MET A -7 -45.137 26.702 -1.005 1.00 20.00 H new ATOM 0 HB2 MET A -7 -42.449 25.924 -2.181 1.00 20.00 H new ATOM 0 HB3 MET A -7 -42.993 27.574 -1.951 1.00 20.00 H new ATOM 0 HG2 MET A -7 -41.537 26.961 -0.119 1.00 20.00 H new ATOM 0 HG3 MET A -7 -43.165 27.177 0.495 1.00 20.00 H new ATOM 0 HE1 MET A -7 -41.708 24.276 2.751 1.00 20.00 H new ATOM 0 HE2 MET A -7 -40.812 25.659 2.079 1.00 20.00 H new ATOM 0 HE3 MET A -7 -42.448 25.894 2.737 1.00 20.00 H new ATOM 20 N ASP A -6 -45.966 27.222 -3.280 1.00 20.00 N ATOM 21 CA ASP A -6 -46.678 27.418 -4.547 1.00 20.00 C ATOM 22 C ASP A -6 -47.613 26.246 -4.803 1.00 20.00 C ATOM 23 O ASP A -6 -47.229 25.089 -4.616 1.00 20.00 O ATOM 24 CB ASP A -6 -45.718 27.616 -5.730 1.00 20.00 C ATOM 25 CG ASP A -6 -45.094 28.995 -5.744 1.00 20.00 C ATOM 26 OD1 ASP A -6 -44.068 29.201 -5.062 1.00 20.00 O ATOM 27 OD2 ASP A -6 -45.635 29.886 -6.433 1.00 20.00 O ATOM 0 H ASP A -6 -46.257 27.865 -2.543 1.00 20.00 H new ATOM 0 HA ASP A -6 -47.263 28.333 -4.459 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -44.930 26.864 -5.684 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -46.258 27.455 -6.663 1.00 20.00 H new ATOM 32 N TYR A -5 -48.847 26.553 -5.206 1.00 20.00 N ATOM 33 CA TYR A -5 -49.914 25.556 -5.347 1.00 20.00 C ATOM 34 C TYR A -5 -50.422 25.124 -3.968 1.00 20.00 C ATOM 35 O TYR A -5 -51.623 25.160 -3.702 1.00 20.00 O ATOM 36 CB TYR A -5 -49.455 24.340 -6.172 1.00 20.00 C ATOM 37 CG TYR A -5 -50.469 23.215 -6.226 1.00 20.00 C ATOM 38 CD1 TYR A -5 -51.714 23.397 -6.818 1.00 20.00 C ATOM 39 CD2 TYR A -5 -50.178 21.968 -5.684 1.00 20.00 C ATOM 40 CE1 TYR A -5 -52.637 22.369 -6.866 1.00 20.00 C ATOM 41 CE2 TYR A -5 -51.097 20.938 -5.730 1.00 20.00 C ATOM 42 CZ TYR A -5 -52.324 21.144 -6.321 1.00 20.00 C ATOM 43 OH TYR A -5 -53.242 20.118 -6.368 1.00 20.00 O ATOM 0 H TYR A -5 -49.137 27.501 -5.445 1.00 20.00 H new ATOM 0 HA TYR A -5 -50.736 26.021 -5.892 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -49.234 24.666 -7.188 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -48.525 23.958 -5.751 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -51.964 24.356 -7.247 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -49.217 21.802 -5.219 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -53.600 22.526 -7.329 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -50.855 19.975 -5.304 1.00 20.00 H new ATOM 0 HH TYR A -5 -52.864 19.321 -5.941 1.00 20.00 H new ATOM 53 N LYS A -4 -49.505 24.727 -3.094 1.00 20.00 N ATOM 54 CA LYS A -4 -49.839 24.400 -1.716 1.00 20.00 C ATOM 55 C LYS A -4 -48.567 24.373 -0.868 1.00 20.00 C ATOM 56 O LYS A -4 -47.463 24.194 -1.388 1.00 20.00 O ATOM 57 CB LYS A -4 -50.564 23.050 -1.644 1.00 20.00 C ATOM 58 CG LYS A -4 -51.226 22.783 -0.296 1.00 20.00 C ATOM 59 CD LYS A -4 -51.920 21.429 -0.260 1.00 20.00 C ATOM 60 CE LYS A -4 -53.088 21.356 -1.233 1.00 20.00 C ATOM 61 NZ LYS A -4 -54.177 22.303 -0.874 1.00 20.00 N ATOM 0 H LYS A -4 -48.516 24.624 -3.320 1.00 20.00 H new ATOM 0 HA LYS A -4 -50.509 25.165 -1.323 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -51.323 23.013 -2.426 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -49.851 22.253 -1.853 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -50.474 22.826 0.492 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -51.952 23.568 -0.087 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -51.200 20.647 -0.500 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -52.278 21.233 0.751 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -52.734 21.576 -2.240 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -53.483 20.340 -1.249 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -55.016 22.104 -1.455 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -54.418 22.190 0.132 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -53.860 23.278 -1.047 1.00 20.00 H new ATOM 75 N ASP A -3 -48.717 24.584 0.431 1.00 20.00 N ATOM 76 CA ASP A -3 -47.586 24.556 1.349 1.00 20.00 C ATOM 77 C ASP A -3 -47.545 23.234 2.114 1.00 20.00 C ATOM 78 O ASP A -3 -47.748 23.186 3.328 1.00 20.00 O ATOM 79 CB ASP A -3 -47.635 25.753 2.316 1.00 20.00 C ATOM 80 CG ASP A -3 -48.982 25.928 3.000 1.00 20.00 C ATOM 81 OD1 ASP A -3 -49.921 26.440 2.355 1.00 20.00 O ATOM 82 OD2 ASP A -3 -49.108 25.571 4.191 1.00 20.00 O ATOM 0 H ASP A -3 -49.614 24.777 0.876 1.00 20.00 H new ATOM 0 HA ASP A -3 -46.670 24.636 0.764 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -46.864 25.627 3.076 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -47.395 26.663 1.767 1.00 20.00 H new ATOM 87 N ASP A -2 -47.288 22.154 1.386 1.00 20.00 N ATOM 88 CA ASP A -2 -47.225 20.823 1.985 1.00 20.00 C ATOM 89 C ASP A -2 -45.889 20.593 2.670 1.00 20.00 C ATOM 90 O ASP A -2 -45.835 20.398 3.886 1.00 20.00 O ATOM 91 CB ASP A -2 -47.431 19.729 0.930 1.00 20.00 C ATOM 92 CG ASP A -2 -48.840 19.682 0.380 1.00 20.00 C ATOM 93 OD1 ASP A -2 -49.741 19.171 1.079 1.00 20.00 O ATOM 94 OD2 ASP A -2 -49.051 20.138 -0.760 1.00 20.00 O ATOM 0 H ASP A -2 -47.120 22.172 0.380 1.00 20.00 H new ATOM 0 HA ASP A -2 -48.026 20.770 2.723 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -46.733 19.891 0.108 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -47.188 18.761 1.369 1.00 20.00 H new ATOM 99 N ASP A -1 -44.816 20.629 1.880 1.00 20.00 N ATOM 100 CA ASP A -1 -43.486 20.238 2.345 1.00 20.00 C ATOM 101 C ASP A -1 -43.546 18.802 2.863 1.00 20.00 C ATOM 102 O ASP A -1 -43.208 18.510 4.012 1.00 20.00 O ATOM 103 CB ASP A -1 -42.960 21.199 3.423 1.00 20.00 C ATOM 104 CG ASP A -1 -41.528 20.898 3.828 1.00 20.00 C ATOM 105 OD1 ASP A -1 -40.647 20.872 2.941 1.00 20.00 O ATOM 106 OD2 ASP A -1 -41.272 20.702 5.038 1.00 20.00 O ATOM 0 H ASP A -1 -44.844 20.928 0.905 1.00 20.00 H new ATOM 0 HA ASP A -1 -42.786 20.293 1.511 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -43.021 22.222 3.053 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -43.602 21.139 4.302 1.00 20.00 H new ATOM 111 N ASP A 0 -44.006 17.911 1.991 1.00 20.00 N ATOM 112 CA ASP A 0 -44.229 16.509 2.341 1.00 20.00 C ATOM 113 C ASP A 0 -42.918 15.793 2.615 1.00 20.00 C ATOM 114 O ASP A 0 -42.876 14.821 3.367 1.00 20.00 O ATOM 115 CB ASP A 0 -44.984 15.786 1.220 1.00 20.00 C ATOM 116 CG ASP A 0 -44.205 15.748 -0.082 1.00 20.00 C ATOM 117 OD1 ASP A 0 -44.240 16.749 -0.824 1.00 20.00 O ATOM 118 OD2 ASP A 0 -43.549 14.720 -0.366 1.00 20.00 O ATOM 0 H ASP A 0 -44.235 18.138 1.023 1.00 20.00 H new ATOM 0 HA ASP A 0 -44.831 16.491 3.250 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -45.206 14.767 1.536 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -45.940 16.283 1.052 1.00 20.00 H new ATOM 123 N LYS A 1 -41.846 16.276 2.005 1.00 20.00 N ATOM 124 CA LYS A 1 -40.539 15.671 2.193 1.00 20.00 C ATOM 125 C LYS A 1 -39.954 16.091 3.538 1.00 20.00 C ATOM 126 O LYS A 1 -39.037 15.451 4.053 1.00 20.00 O ATOM 127 CB LYS A 1 -39.600 16.058 1.047 1.00 20.00 C ATOM 128 CG LYS A 1 -38.279 15.305 1.054 1.00 20.00 C ATOM 129 CD LYS A 1 -37.398 15.706 -0.119 1.00 20.00 C ATOM 130 CE LYS A 1 -38.045 15.364 -1.456 1.00 20.00 C ATOM 131 NZ LYS A 1 -37.203 15.784 -2.605 1.00 20.00 N ATOM 0 H LYS A 1 -41.856 17.081 1.379 1.00 20.00 H new ATOM 0 HA LYS A 1 -40.650 14.587 2.189 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -40.106 15.877 0.099 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -39.398 17.128 1.101 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -37.753 15.501 1.988 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -38.471 14.233 1.015 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -37.199 16.777 -0.075 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -36.436 15.200 -0.041 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -38.221 14.290 -1.509 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -39.018 15.850 -1.523 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -37.680 15.533 -3.495 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -37.056 16.813 -2.570 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -36.283 15.301 -2.556 1.00 20.00 H new ATOM 145 N ASN A 2 -40.520 17.162 4.100 1.00 20.00 N ATOM 146 CA ASN A 2 -40.137 17.667 5.419 1.00 20.00 C ATOM 147 C ASN A 2 -38.742 18.296 5.385 1.00 20.00 C ATOM 148 O ASN A 2 -37.723 17.600 5.390 1.00 20.00 O ATOM 149 CB ASN A 2 -40.232 16.540 6.467 1.00 20.00 C ATOM 150 CG ASN A 2 -39.959 16.996 7.894 1.00 20.00 C ATOM 151 OD1 ASN A 2 -39.094 17.830 8.146 1.00 20.00 O ATOM 152 ND2 ASN A 2 -40.712 16.452 8.842 1.00 20.00 N ATOM 0 H ASN A 2 -41.258 17.704 3.651 1.00 20.00 H new ATOM 0 HA ASN A 2 -40.833 18.454 5.708 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -41.228 16.099 6.422 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -39.523 15.754 6.206 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -40.581 16.724 9.816 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -41.422 15.762 8.596 1.00 20.00 H new ATOM 159 N ARG A 3 -38.702 19.623 5.332 1.00 20.00 N ATOM 160 CA ARG A 3 -37.439 20.357 5.336 1.00 20.00 C ATOM 161 C ARG A 3 -37.099 20.843 6.746 1.00 20.00 C ATOM 162 O ARG A 3 -36.387 21.834 6.925 1.00 20.00 O ATOM 163 CB ARG A 3 -37.497 21.555 4.374 1.00 20.00 C ATOM 164 CG ARG A 3 -38.463 22.647 4.811 1.00 20.00 C ATOM 165 CD ARG A 3 -38.283 23.922 4.001 1.00 20.00 C ATOM 166 NE ARG A 3 -39.180 24.981 4.461 1.00 20.00 N ATOM 167 CZ ARG A 3 -38.974 26.283 4.264 1.00 20.00 C ATOM 168 NH1 ARG A 3 -37.895 26.708 3.616 1.00 20.00 N ATOM 169 NH2 ARG A 3 -39.856 27.162 4.720 1.00 20.00 N ATOM 0 H ARG A 3 -39.531 20.215 5.286 1.00 20.00 H new ATOM 0 HA ARG A 3 -36.658 19.675 4.999 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -36.499 21.982 4.280 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -37.787 21.201 3.385 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -39.487 22.290 4.703 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -38.311 22.864 5.868 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -37.250 24.260 4.078 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -38.473 23.715 2.948 1.00 20.00 H new ATOM 0 HE ARG A 3 -40.021 24.704 4.967 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -37.214 26.035 3.263 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -37.748 27.707 3.471 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -40.686 26.840 5.218 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -39.704 28.160 4.573 1.00 20.00 H new ATOM 183 N ALA A 4 -37.602 20.138 7.747 1.00 20.00 N ATOM 184 CA ALA A 4 -37.386 20.524 9.134 1.00 20.00 C ATOM 185 C ALA A 4 -36.292 19.678 9.776 1.00 20.00 C ATOM 186 O ALA A 4 -36.297 19.458 10.988 1.00 20.00 O ATOM 187 CB ALA A 4 -38.686 20.412 9.921 1.00 20.00 C ATOM 0 H ALA A 4 -38.163 19.295 7.626 1.00 20.00 H new ATOM 0 HA ALA A 4 -37.056 21.563 9.152 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -38.511 20.703 10.957 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -39.436 21.070 9.481 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -39.043 19.383 9.889 1.00 20.00 H new ATOM 193 N LEU A 5 -35.358 19.210 8.947 1.00 20.00 N ATOM 194 CA LEU A 5 -34.223 18.407 9.409 1.00 20.00 C ATOM 195 C LEU A 5 -34.703 17.143 10.113 1.00 20.00 C ATOM 196 O LEU A 5 -34.284 16.830 11.229 1.00 20.00 O ATOM 197 CB LEU A 5 -33.305 19.220 10.335 1.00 20.00 C ATOM 198 CG LEU A 5 -32.419 20.281 9.658 1.00 20.00 C ATOM 199 CD1 LEU A 5 -31.565 19.660 8.561 1.00 20.00 C ATOM 200 CD2 LEU A 5 -33.253 21.427 9.101 1.00 20.00 C ATOM 0 H LEU A 5 -35.366 19.375 7.941 1.00 20.00 H new ATOM 0 HA LEU A 5 -33.646 18.116 8.531 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -33.925 19.718 11.081 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -32.658 18.525 10.871 1.00 20.00 H new ATOM 0 HG LEU A 5 -31.755 20.688 10.421 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -30.949 20.431 8.099 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -30.923 18.892 8.991 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -32.211 19.212 7.806 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -32.597 22.159 8.630 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -33.955 21.040 8.362 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -33.805 21.903 9.912 1.00 20.00 H new ATOM 212 N SER A 6 -35.589 16.429 9.444 1.00 20.00 N ATOM 213 CA SER A 6 -36.132 15.186 9.952 1.00 20.00 C ATOM 214 C SER A 6 -36.677 14.352 8.797 1.00 20.00 C ATOM 215 O SER A 6 -37.624 14.757 8.123 1.00 20.00 O ATOM 216 CB SER A 6 -37.227 15.469 10.985 1.00 20.00 C ATOM 217 OG SER A 6 -38.132 16.462 10.526 1.00 20.00 O ATOM 0 H SER A 6 -35.953 16.697 8.530 1.00 20.00 H new ATOM 0 HA SER A 6 -35.340 14.622 10.445 1.00 20.00 H new ATOM 0 HB2 SER A 6 -37.772 14.550 11.200 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.771 15.795 11.920 1.00 20.00 H new ATOM 0 HG SER A 6 -37.968 16.640 9.576 1.00 20.00 H new ATOM 223 N PRO A 7 -36.043 13.195 8.535 1.00 20.00 N ATOM 224 CA PRO A 7 -36.455 12.272 7.467 1.00 20.00 C ATOM 225 C PRO A 7 -37.912 11.843 7.602 1.00 20.00 C ATOM 226 O PRO A 7 -38.682 11.951 6.648 1.00 20.00 O ATOM 227 CB PRO A 7 -35.532 11.063 7.662 1.00 20.00 C ATOM 228 CG PRO A 7 -34.344 11.595 8.381 1.00 20.00 C ATOM 229 CD PRO A 7 -34.853 12.702 9.259 1.00 20.00 C ATOM 0 HA PRO A 7 -36.378 12.734 6.483 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -36.024 10.280 8.239 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -35.250 10.624 6.705 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -33.865 10.816 8.974 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -33.597 11.966 7.679 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -35.110 12.339 10.254 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -34.108 13.487 9.388 1.00 20.00 H new ATOM 237 N MET A 8 -38.280 11.367 8.788 1.00 20.00 N ATOM 238 CA MET A 8 -39.634 10.888 9.055 1.00 20.00 C ATOM 239 C MET A 8 -40.035 9.790 8.076 1.00 20.00 C ATOM 240 O MET A 8 -41.143 9.785 7.536 1.00 20.00 O ATOM 241 CB MET A 8 -40.646 12.040 9.018 1.00 20.00 C ATOM 242 CG MET A 8 -40.511 13.002 10.185 1.00 20.00 C ATOM 243 SD MET A 8 -40.645 12.164 11.778 1.00 20.00 S ATOM 244 CE MET A 8 -40.378 13.531 12.901 1.00 20.00 C ATOM 0 H MET A 8 -37.651 11.302 9.589 1.00 20.00 H new ATOM 0 HA MET A 8 -39.639 10.464 10.059 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.522 12.592 8.086 1.00 20.00 H new ATOM 0 HB3 MET A 8 -41.655 11.627 9.013 1.00 20.00 H new ATOM 0 HG2 MET A 8 -39.549 13.512 10.124 1.00 20.00 H new ATOM 0 HG3 MET A 8 -41.283 13.768 10.113 1.00 20.00 H new ATOM 0 HE1 MET A 8 -39.927 13.162 13.822 1.00 20.00 H new ATOM 0 HE2 MET A 8 -39.712 14.258 12.437 1.00 20.00 H new ATOM 0 HE3 MET A 8 -41.332 14.007 13.129 1.00 20.00 H new ATOM 254 N VAL A 9 -39.114 8.867 7.843 1.00 20.00 N ATOM 255 CA VAL A 9 -39.375 7.719 6.985 1.00 20.00 C ATOM 256 C VAL A 9 -39.266 6.448 7.822 1.00 20.00 C ATOM 257 O VAL A 9 -39.287 5.329 7.309 1.00 20.00 O ATOM 258 CB VAL A 9 -38.382 7.661 5.797 1.00 20.00 C ATOM 259 CG1 VAL A 9 -38.826 6.650 4.749 1.00 20.00 C ATOM 260 CG2 VAL A 9 -38.217 9.035 5.164 1.00 20.00 C ATOM 0 H VAL A 9 -38.174 8.890 8.238 1.00 20.00 H new ATOM 0 HA VAL A 9 -40.378 7.812 6.568 1.00 20.00 H new ATOM 0 HB VAL A 9 -37.419 7.338 6.192 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -38.107 6.635 3.930 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -38.883 5.659 5.200 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -39.807 6.931 4.365 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -37.516 8.971 4.332 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -39.182 9.385 4.798 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -37.835 9.735 5.907 1.00 20.00 H new ATOM 270 N SER A 10 -39.156 6.654 9.131 1.00 20.00 N ATOM 271 CA SER A 10 -38.983 5.572 10.091 1.00 20.00 C ATOM 272 C SER A 10 -37.696 4.808 9.791 1.00 20.00 C ATOM 273 O SER A 10 -37.638 3.579 9.873 1.00 20.00 O ATOM 274 CB SER A 10 -40.195 4.634 10.075 1.00 20.00 C ATOM 275 OG SER A 10 -40.183 3.755 11.187 1.00 20.00 O ATOM 0 H SER A 10 -39.185 7.581 9.556 1.00 20.00 H new ATOM 0 HA SER A 10 -38.906 5.999 11.091 1.00 20.00 H new ATOM 0 HB2 SER A 10 -41.113 5.222 10.084 1.00 20.00 H new ATOM 0 HB3 SER A 10 -40.197 4.055 9.152 1.00 20.00 H new ATOM 0 HG SER A 10 -39.310 3.314 11.246 1.00 20.00 H new ATOM 281 N GLU A 11 -36.660 5.551 9.437 1.00 20.00 N ATOM 282 CA GLU A 11 -35.371 4.960 9.119 1.00 20.00 C ATOM 283 C GLU A 11 -34.451 5.014 10.334 1.00 20.00 C ATOM 284 O GLU A 11 -33.328 5.517 10.267 1.00 20.00 O ATOM 285 CB GLU A 11 -34.734 5.657 7.911 1.00 20.00 C ATOM 286 CG GLU A 11 -34.531 7.156 8.083 1.00 20.00 C ATOM 287 CD GLU A 11 -33.918 7.801 6.859 1.00 20.00 C ATOM 288 OE1 GLU A 11 -32.685 7.696 6.679 1.00 20.00 O ATOM 289 OE2 GLU A 11 -34.661 8.420 6.073 1.00 20.00 O ATOM 0 H GLU A 11 -36.687 6.568 9.363 1.00 20.00 H new ATOM 0 HA GLU A 11 -35.525 3.914 8.853 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -33.769 5.193 7.707 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -35.361 5.486 7.036 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -35.490 7.627 8.296 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -33.889 7.336 8.945 1.00 20.00 H new ATOM 296 N PHE A 12 -34.946 4.500 11.450 1.00 20.00 N ATOM 297 CA PHE A 12 -34.165 4.457 12.675 1.00 20.00 C ATOM 298 C PHE A 12 -32.949 3.552 12.501 1.00 20.00 C ATOM 299 O PHE A 12 -31.813 3.987 12.688 1.00 20.00 O ATOM 300 CB PHE A 12 -35.034 4.014 13.870 1.00 20.00 C ATOM 301 CG PHE A 12 -35.857 2.767 13.643 1.00 20.00 C ATOM 302 CD1 PHE A 12 -37.081 2.835 12.992 1.00 20.00 C ATOM 303 CD2 PHE A 12 -35.413 1.530 14.091 1.00 20.00 C ATOM 304 CE1 PHE A 12 -37.840 1.698 12.789 1.00 20.00 C ATOM 305 CE2 PHE A 12 -36.170 0.390 13.892 1.00 20.00 C ATOM 306 CZ PHE A 12 -37.384 0.475 13.239 1.00 20.00 C ATOM 0 H PHE A 12 -35.884 4.108 11.532 1.00 20.00 H new ATOM 0 HA PHE A 12 -33.806 5.463 12.890 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -34.384 3.849 14.729 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -35.707 4.831 14.131 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -37.445 3.789 12.640 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -34.464 1.457 14.602 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -38.789 1.766 12.279 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -35.812 -0.565 14.247 1.00 20.00 H new ATOM 0 HZ PHE A 12 -37.976 -0.414 13.081 1.00 20.00 H new ATOM 316 N GLU A 13 -33.195 2.306 12.111 1.00 20.00 N ATOM 317 CA GLU A 13 -32.134 1.339 11.865 1.00 20.00 C ATOM 318 C GLU A 13 -32.556 0.363 10.774 1.00 20.00 C ATOM 319 O GLU A 13 -32.767 -0.822 11.029 1.00 20.00 O ATOM 320 CB GLU A 13 -31.785 0.565 13.140 1.00 20.00 C ATOM 321 CG GLU A 13 -31.024 1.380 14.173 1.00 20.00 C ATOM 322 CD GLU A 13 -30.599 0.557 15.368 1.00 20.00 C ATOM 323 OE1 GLU A 13 -29.619 -0.210 15.251 1.00 20.00 O ATOM 324 OE2 GLU A 13 -31.232 0.681 16.436 1.00 20.00 O ATOM 0 H GLU A 13 -34.134 1.939 11.957 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.249 1.887 11.541 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.706 0.196 13.591 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -31.190 -0.307 12.871 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -30.142 1.818 13.706 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -31.649 2.207 14.510 1.00 20.00 H new ATOM 331 N THR A 14 -32.689 0.869 9.561 1.00 20.00 N ATOM 332 CA THR A 14 -33.086 0.049 8.430 1.00 20.00 C ATOM 333 C THR A 14 -32.483 0.596 7.139 1.00 20.00 C ATOM 334 O THR A 14 -33.088 1.402 6.429 1.00 20.00 O ATOM 335 CB THR A 14 -34.629 -0.067 8.318 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.997 -0.690 7.080 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.306 1.291 8.437 1.00 20.00 C ATOM 0 H THR A 14 -32.527 1.850 9.333 1.00 20.00 H new ATOM 0 HA THR A 14 -32.699 -0.957 8.595 1.00 20.00 H new ATOM 0 HB THR A 14 -34.970 -0.687 9.147 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.973 -0.757 7.025 1.00 20.00 H new ATOM 0 HG21 THR A 14 -36.386 1.168 8.354 1.00 20.00 H new ATOM 0 HG22 THR A 14 -35.065 1.734 9.403 1.00 20.00 H new ATOM 0 HG23 THR A 14 -34.953 1.945 7.640 1.00 20.00 H new ATOM 345 N ILE A 15 -31.271 0.155 6.845 1.00 20.00 N ATOM 346 CA ILE A 15 -30.535 0.647 5.697 1.00 20.00 C ATOM 347 C ILE A 15 -30.643 -0.338 4.536 1.00 20.00 C ATOM 348 O ILE A 15 -30.369 -1.531 4.687 1.00 20.00 O ATOM 349 CB ILE A 15 -29.039 0.874 6.034 1.00 20.00 C ATOM 350 CG1 ILE A 15 -28.865 1.837 7.217 1.00 20.00 C ATOM 351 CG2 ILE A 15 -28.295 1.405 4.821 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.092 1.204 8.574 1.00 20.00 C ATOM 0 H ILE A 15 -30.775 -0.549 7.392 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.976 1.603 5.414 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.619 -0.090 6.319 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.858 2.253 7.187 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.558 2.670 7.097 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -27.246 1.559 5.076 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.369 0.686 4.005 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.735 2.352 4.510 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.949 1.953 9.353 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -30.108 0.813 8.628 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -28.382 0.390 8.719 1.00 20.00 H new ATOM 364 N GLU A 16 -31.045 0.180 3.378 1.00 20.00 N ATOM 365 CA GLU A 16 -31.184 -0.616 2.163 1.00 20.00 C ATOM 366 C GLU A 16 -29.855 -1.273 1.794 1.00 20.00 C ATOM 367 O GLU A 16 -29.803 -2.459 1.474 1.00 20.00 O ATOM 368 CB GLU A 16 -31.672 0.282 1.020 1.00 20.00 C ATOM 369 CG GLU A 16 -31.896 -0.445 -0.294 1.00 20.00 C ATOM 370 CD GLU A 16 -32.952 -1.526 -0.195 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.153 -1.197 -0.238 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.582 -2.715 -0.084 1.00 20.00 O ATOM 0 H GLU A 16 -31.284 1.164 3.256 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.914 -1.407 2.337 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.605 0.759 1.321 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.944 1.077 0.862 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.191 0.276 -1.057 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.957 -0.890 -0.622 1.00 20.00 H new ATOM 379 N GLN A 17 -28.778 -0.498 1.867 1.00 20.00 N ATOM 380 CA GLN A 17 -27.448 -1.004 1.550 1.00 20.00 C ATOM 381 C GLN A 17 -26.993 -2.031 2.585 1.00 20.00 C ATOM 382 O GLN A 17 -26.342 -3.020 2.245 1.00 20.00 O ATOM 383 CB GLN A 17 -26.442 0.147 1.475 1.00 20.00 C ATOM 384 CG GLN A 17 -25.037 -0.292 1.096 1.00 20.00 C ATOM 385 CD GLN A 17 -24.058 0.864 1.048 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.428 1.200 2.052 1.00 20.00 O ATOM 387 NE2 GLN A 17 -23.915 1.472 -0.120 1.00 20.00 N ATOM 0 H GLN A 17 -28.801 0.484 2.143 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.497 -1.494 0.578 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.793 0.878 0.747 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.407 0.651 2.441 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.685 -1.032 1.815 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.064 -0.781 0.122 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.457 1.161 -0.926 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.263 2.251 -0.213 1.00 20.00 H new ATOM 396 N GLU A 18 -27.360 -1.808 3.843 1.00 20.00 N ATOM 397 CA GLU A 18 -26.945 -2.696 4.926 1.00 20.00 C ATOM 398 C GLU A 18 -27.567 -4.074 4.749 1.00 20.00 C ATOM 399 O GLU A 18 -26.912 -5.092 4.963 1.00 20.00 O ATOM 400 CB GLU A 18 -27.335 -2.115 6.291 1.00 20.00 C ATOM 401 CG GLU A 18 -26.857 -2.945 7.474 1.00 20.00 C ATOM 402 CD GLU A 18 -27.345 -2.404 8.800 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.435 -2.816 9.247 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.642 -1.569 9.405 1.00 20.00 O ATOM 0 H GLU A 18 -27.942 -1.024 4.138 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.860 -2.789 4.889 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.926 -1.108 6.377 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.420 -2.023 6.339 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.202 -3.972 7.356 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.767 -2.973 7.476 1.00 20.00 H new ATOM 411 N ASN A 19 -28.828 -4.099 4.336 1.00 20.00 N ATOM 412 CA ASN A 19 -29.525 -5.359 4.104 1.00 20.00 C ATOM 413 C ASN A 19 -28.973 -6.060 2.873 1.00 20.00 C ATOM 414 O ASN A 19 -29.017 -7.285 2.772 1.00 20.00 O ATOM 415 CB ASN A 19 -31.033 -5.145 3.963 1.00 20.00 C ATOM 416 CG ASN A 19 -31.709 -4.929 5.303 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.124 -5.884 5.959 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.818 -3.679 5.727 1.00 20.00 N ATOM 0 H ASN A 19 -29.387 -3.265 4.155 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.355 -5.994 4.973 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.217 -4.283 3.322 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.476 -6.010 3.470 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.258 -3.482 6.626 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.462 -2.913 5.155 1.00 20.00 H new ATOM 425 N SER A 20 -28.430 -5.280 1.948 1.00 20.00 N ATOM 426 CA SER A 20 -27.781 -5.845 0.780 1.00 20.00 C ATOM 427 C SER A 20 -26.520 -6.592 1.212 1.00 20.00 C ATOM 428 O SER A 20 -26.182 -7.636 0.651 1.00 20.00 O ATOM 429 CB SER A 20 -27.452 -4.748 -0.239 1.00 20.00 C ATOM 430 OG SER A 20 -26.989 -5.297 -1.465 1.00 20.00 O ATOM 0 H SER A 20 -28.427 -4.261 1.986 1.00 20.00 H new ATOM 0 HA SER A 20 -28.458 -6.549 0.296 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.340 -4.143 -0.423 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.693 -4.083 0.173 1.00 20.00 H new ATOM 0 HG SER A 20 -26.789 -4.572 -2.093 1.00 20.00 H new ATOM 436 N TYR A 21 -25.837 -6.063 2.229 1.00 20.00 N ATOM 437 CA TYR A 21 -24.690 -6.748 2.812 1.00 20.00 C ATOM 438 C TYR A 21 -25.157 -7.949 3.624 1.00 20.00 C ATOM 439 O TYR A 21 -24.503 -8.990 3.644 1.00 20.00 O ATOM 440 CB TYR A 21 -23.877 -5.813 3.716 1.00 20.00 C ATOM 441 CG TYR A 21 -23.237 -4.640 3.006 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.481 -4.820 1.855 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.378 -3.349 3.502 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.887 -3.746 1.218 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.790 -2.274 2.870 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.045 -2.476 1.729 1.00 20.00 C ATOM 447 OH TYR A 21 -21.457 -1.403 1.101 1.00 20.00 O ATOM 0 H TYR A 21 -26.060 -5.167 2.662 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.051 -7.078 1.993 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.530 -5.432 4.501 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.095 -6.394 4.206 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.355 -5.814 1.451 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.958 -3.185 4.398 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.302 -3.902 0.324 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.913 -1.278 3.268 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.669 -0.581 1.591 1.00 20.00 H new ATOM 457 N ASN A 22 -26.298 -7.793 4.293 1.00 20.00 N ATOM 458 CA ASN A 22 -26.880 -8.868 5.095 1.00 20.00 C ATOM 459 C ASN A 22 -27.147 -10.097 4.244 1.00 20.00 C ATOM 460 O ASN A 22 -26.928 -11.222 4.683 1.00 20.00 O ATOM 461 CB ASN A 22 -28.184 -8.424 5.767 1.00 20.00 C ATOM 462 CG ASN A 22 -27.959 -7.474 6.927 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.908 -7.495 7.567 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.951 -6.646 7.224 1.00 20.00 N ATOM 0 H ASN A 22 -26.840 -6.929 4.295 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.154 -9.117 5.869 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.821 -7.940 5.027 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.720 -9.303 6.124 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.857 -5.998 8.006 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.808 -6.657 6.671 1.00 20.00 H new ATOM 471 N GLU A 23 -27.611 -9.876 3.020 1.00 20.00 N ATOM 472 CA GLU A 23 -27.878 -10.970 2.098 1.00 20.00 C ATOM 473 C GLU A 23 -26.586 -11.712 1.760 1.00 20.00 C ATOM 474 O GLU A 23 -26.581 -12.933 1.596 1.00 20.00 O ATOM 475 CB GLU A 23 -28.549 -10.447 0.826 1.00 20.00 C ATOM 476 CG GLU A 23 -28.940 -11.542 -0.153 1.00 20.00 C ATOM 477 CD GLU A 23 -29.744 -11.014 -1.320 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.144 -10.436 -2.252 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.983 -11.165 -1.309 1.00 20.00 O ATOM 0 H GLU A 23 -27.810 -8.949 2.644 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.559 -11.671 2.581 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.440 -9.883 1.101 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.873 -9.752 0.329 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.040 -12.029 -0.527 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.520 -12.302 0.370 1.00 20.00 H new ATOM 486 N TRP A 24 -25.488 -10.970 1.681 1.00 20.00 N ATOM 487 CA TRP A 24 -24.184 -11.559 1.407 1.00 20.00 C ATOM 488 C TRP A 24 -23.676 -12.324 2.629 1.00 20.00 C ATOM 489 O TRP A 24 -23.111 -13.410 2.505 1.00 20.00 O ATOM 490 CB TRP A 24 -23.182 -10.476 0.993 1.00 20.00 C ATOM 491 CG TRP A 24 -21.812 -11.010 0.714 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.454 -11.863 -0.290 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.614 -10.723 1.444 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.110 -12.129 -0.224 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.572 -11.442 0.830 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.321 -9.932 2.559 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.259 -11.391 1.291 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.017 -9.883 3.016 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.001 -10.608 2.383 1.00 20.00 C ATOM 0 H TRP A 24 -25.475 -9.957 1.803 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.289 -12.262 0.581 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.554 -9.968 0.103 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.119 -9.729 1.784 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.130 -12.269 -1.028 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.595 -12.740 -0.858 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.099 -9.370 3.054 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.473 -11.949 0.804 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.778 -9.275 3.876 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.992 -10.548 2.764 1.00 20.00 H new ATOM 510 N LEU A 25 -23.895 -11.758 3.810 1.00 20.00 N ATOM 511 CA LEU A 25 -23.520 -12.419 5.057 1.00 20.00 C ATOM 512 C LEU A 25 -24.330 -13.699 5.227 1.00 20.00 C ATOM 513 O LEU A 25 -23.816 -14.728 5.669 1.00 20.00 O ATOM 514 CB LEU A 25 -23.758 -11.491 6.254 1.00 20.00 C ATOM 515 CG LEU A 25 -22.991 -10.164 6.226 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.392 -9.292 7.408 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.489 -10.406 6.236 1.00 20.00 C ATOM 0 H LEU A 25 -24.330 -10.843 3.932 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.459 -12.664 5.014 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.824 -11.273 6.315 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.489 -12.026 7.165 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.248 -9.644 5.304 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.838 -8.354 7.373 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.461 -9.084 7.361 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.164 -9.813 8.338 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.966 -9.450 6.216 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.214 -10.951 7.139 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.209 -10.991 5.360 1.00 20.00 H new ATOM 529 N ARG A 26 -25.598 -13.620 4.854 1.00 20.00 N ATOM 530 CA ARG A 26 -26.504 -14.758 4.910 1.00 20.00 C ATOM 531 C ARG A 26 -26.088 -15.829 3.905 1.00 20.00 C ATOM 532 O ARG A 26 -26.250 -17.023 4.148 1.00 20.00 O ATOM 533 CB ARG A 26 -27.931 -14.285 4.629 1.00 20.00 C ATOM 534 CG ARG A 26 -28.968 -15.393 4.615 1.00 20.00 C ATOM 535 CD ARG A 26 -30.342 -14.844 4.278 1.00 20.00 C ATOM 536 NE ARG A 26 -31.331 -15.902 4.117 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.505 -15.726 3.522 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.846 -14.525 3.066 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.342 -16.745 3.390 1.00 20.00 N ATOM 0 H ARG A 26 -26.029 -12.764 4.504 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.461 -15.199 5.906 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.212 -13.550 5.383 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.949 -13.775 3.666 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.686 -16.151 3.885 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.996 -15.883 5.588 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.664 -14.165 5.067 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.283 -14.260 3.359 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.109 -16.829 4.481 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.206 -13.738 3.173 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.748 -14.390 2.609 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.085 -17.666 3.746 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.244 -16.609 2.933 1.00 20.00 H new ATOM 553 N ALA A 27 -25.533 -15.396 2.785 1.00 20.00 N ATOM 554 CA ALA A 27 -25.055 -16.320 1.768 1.00 20.00 C ATOM 555 C ALA A 27 -23.885 -17.141 2.290 1.00 20.00 C ATOM 556 O ALA A 27 -23.704 -18.298 1.908 1.00 20.00 O ATOM 557 CB ALA A 27 -24.645 -15.564 0.517 1.00 20.00 C ATOM 0 H ALA A 27 -25.402 -14.411 2.556 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.869 -17.000 1.518 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.290 -16.269 -0.234 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.503 -15.017 0.125 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.848 -14.862 0.761 1.00 20.00 H new ATOM 563 N LYS A 28 -23.108 -16.535 3.183 1.00 20.00 N ATOM 564 CA LYS A 28 -21.909 -17.169 3.716 1.00 20.00 C ATOM 565 C LYS A 28 -22.231 -18.131 4.857 1.00 20.00 C ATOM 566 O LYS A 28 -21.468 -19.059 5.124 1.00 20.00 O ATOM 567 CB LYS A 28 -20.909 -16.120 4.207 1.00 20.00 C ATOM 568 CG LYS A 28 -20.384 -15.198 3.116 1.00 20.00 C ATOM 569 CD LYS A 28 -19.187 -14.395 3.599 1.00 20.00 C ATOM 570 CE LYS A 28 -19.510 -13.575 4.840 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.310 -12.882 5.374 1.00 20.00 N ATOM 0 H LYS A 28 -23.289 -15.602 3.553 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.467 -17.739 2.899 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.384 -15.516 4.980 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.066 -16.629 4.674 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.101 -15.788 2.244 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.176 -14.519 2.799 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.361 -15.072 3.817 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.852 -13.730 2.803 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.277 -12.839 4.599 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.924 -14.228 5.609 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.572 -12.335 6.219 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.587 -13.585 5.628 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.929 -12.240 4.650 1.00 20.00 H new ATOM 585 N VAL A 29 -23.352 -17.913 5.534 1.00 20.00 N ATOM 586 CA VAL A 29 -23.719 -18.761 6.663 1.00 20.00 C ATOM 587 C VAL A 29 -24.365 -20.058 6.175 1.00 20.00 C ATOM 588 O VAL A 29 -24.418 -21.056 6.895 1.00 20.00 O ATOM 589 CB VAL A 29 -24.662 -18.031 7.655 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.048 -17.832 7.063 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.747 -18.780 8.976 1.00 20.00 C ATOM 0 H VAL A 29 -24.015 -17.167 5.325 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.800 -19.001 7.198 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.236 -17.046 7.845 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.682 -17.318 7.785 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.973 -17.234 6.155 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.484 -18.802 6.824 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.414 -18.248 9.654 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.133 -19.784 8.801 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.754 -18.846 9.421 1.00 20.00 H new ATOM 601 N ALA A 30 -24.824 -20.041 4.931 1.00 20.00 N ATOM 602 CA ALA A 30 -25.504 -21.188 4.351 1.00 20.00 C ATOM 603 C ALA A 30 -24.728 -21.745 3.163 1.00 20.00 C ATOM 604 O ALA A 30 -25.310 -22.327 2.249 1.00 20.00 O ATOM 605 CB ALA A 30 -26.913 -20.798 3.931 1.00 20.00 C ATOM 0 H ALA A 30 -24.737 -19.242 4.303 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.562 -21.971 5.107 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.416 -21.662 3.497 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -27.470 -20.453 4.802 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.864 -19.998 3.192 1.00 20.00 H new ATOM 611 N THR A 31 -23.410 -21.589 3.185 1.00 20.00 N ATOM 612 CA THR A 31 -22.572 -22.037 2.078 1.00 20.00 C ATOM 613 C THR A 31 -22.219 -23.519 2.226 1.00 20.00 C ATOM 614 O THR A 31 -21.046 -23.896 2.287 1.00 20.00 O ATOM 615 CB THR A 31 -21.275 -21.211 1.995 1.00 20.00 C ATOM 616 OG1 THR A 31 -21.556 -19.834 2.258 1.00 20.00 O ATOM 617 CG2 THR A 31 -20.637 -21.333 0.621 1.00 20.00 C ATOM 0 H THR A 31 -22.899 -21.157 3.955 1.00 20.00 H new ATOM 0 HA THR A 31 -23.143 -21.894 1.160 1.00 20.00 H new ATOM 0 HB THR A 31 -20.582 -21.599 2.741 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.453 -19.615 1.929 1.00 20.00 H new ATOM 0 HG21 THR A 31 -19.723 -20.740 0.590 1.00 20.00 H new ATOM 0 HG22 THR A 31 -20.398 -22.378 0.422 1.00 20.00 H new ATOM 0 HG23 THR A 31 -21.331 -20.969 -0.136 1.00 20.00 H new ATOM 625 N SER A 32 -23.244 -24.354 2.303 1.00 20.00 N ATOM 626 CA SER A 32 -23.062 -25.793 2.427 1.00 20.00 C ATOM 627 C SER A 32 -24.302 -26.518 1.924 1.00 20.00 C ATOM 628 O SER A 32 -25.428 -26.053 2.143 1.00 20.00 O ATOM 629 CB SER A 32 -22.785 -26.176 3.887 1.00 20.00 C ATOM 630 OG SER A 32 -21.604 -25.551 4.365 1.00 20.00 O ATOM 0 H SER A 32 -24.219 -24.056 2.282 1.00 20.00 H new ATOM 0 HA SER A 32 -22.205 -26.089 1.822 1.00 20.00 H new ATOM 0 HB2 SER A 32 -23.631 -25.885 4.509 1.00 20.00 H new ATOM 0 HB3 SER A 32 -22.686 -27.258 3.970 1.00 20.00 H new ATOM 0 HG SER A 32 -21.201 -25.021 3.646 1.00 20.00 H new ATOM 636 N LEU A 33 -24.100 -27.646 1.249 1.00 20.00 N ATOM 637 CA LEU A 33 -25.204 -28.444 0.725 1.00 20.00 C ATOM 638 C LEU A 33 -25.855 -29.253 1.841 1.00 20.00 C ATOM 639 O LEU A 33 -25.823 -30.485 1.838 1.00 20.00 O ATOM 640 CB LEU A 33 -24.733 -29.385 -0.395 1.00 20.00 C ATOM 641 CG LEU A 33 -24.495 -28.737 -1.766 1.00 20.00 C ATOM 642 CD1 LEU A 33 -23.308 -27.786 -1.733 1.00 20.00 C ATOM 643 CD2 LEU A 33 -24.287 -29.809 -2.824 1.00 20.00 C ATOM 0 H LEU A 33 -23.176 -28.030 1.051 1.00 20.00 H new ATOM 0 HA LEU A 33 -25.938 -27.756 0.307 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -23.806 -29.862 -0.075 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -25.474 -30.176 -0.513 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.380 -28.154 -2.020 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -23.168 -27.345 -2.720 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -23.495 -26.996 -1.006 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -22.410 -28.335 -1.450 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -24.119 -29.337 -3.792 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -23.421 -30.416 -2.561 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -25.172 -30.443 -2.878 1.00 20.00 H new ATOM 655 N ALA A 34 -26.433 -28.548 2.794 1.00 20.00 N ATOM 656 CA ALA A 34 -27.121 -29.174 3.908 1.00 20.00 C ATOM 657 C ALA A 34 -28.601 -29.335 3.586 1.00 20.00 C ATOM 658 O ALA A 34 -28.983 -29.345 2.412 1.00 20.00 O ATOM 659 CB ALA A 34 -26.924 -28.347 5.171 1.00 20.00 C ATOM 0 H ALA A 34 -26.440 -27.528 2.819 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.701 -30.165 4.078 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -27.443 -28.823 6.003 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.860 -28.279 5.399 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -27.327 -27.346 5.017 1.00 20.00 H new ATOM 665 N ASP A 35 -29.422 -29.469 4.617 1.00 20.00 N ATOM 666 CA ASP A 35 -30.866 -29.581 4.443 1.00 20.00 C ATOM 667 C ASP A 35 -31.420 -28.356 3.729 1.00 20.00 C ATOM 668 O ASP A 35 -30.972 -27.233 3.964 1.00 20.00 O ATOM 669 CB ASP A 35 -31.562 -29.761 5.794 1.00 20.00 C ATOM 670 CG ASP A 35 -31.302 -31.124 6.394 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.978 -32.095 5.991 1.00 20.00 O ATOM 672 OD2 ASP A 35 -30.414 -31.240 7.263 1.00 20.00 O ATOM 0 H ASP A 35 -29.113 -29.503 5.588 1.00 20.00 H new ATOM 0 HA ASP A 35 -31.063 -30.460 3.830 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.217 -28.991 6.484 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -32.636 -29.620 5.669 1.00 20.00 H new ATOM 677 N PRO A 36 -32.394 -28.568 2.833 1.00 20.00 N ATOM 678 CA PRO A 36 -32.972 -27.500 2.014 1.00 20.00 C ATOM 679 C PRO A 36 -33.595 -26.389 2.852 1.00 20.00 C ATOM 680 O PRO A 36 -34.415 -26.645 3.739 1.00 20.00 O ATOM 681 CB PRO A 36 -34.050 -28.214 1.185 1.00 20.00 C ATOM 682 CG PRO A 36 -34.314 -29.492 1.904 1.00 20.00 C ATOM 683 CD PRO A 36 -33.014 -29.871 2.550 1.00 20.00 C ATOM 0 HA PRO A 36 -32.212 -27.006 1.410 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -34.954 -27.610 1.111 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -33.706 -28.399 0.167 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -35.100 -29.367 2.649 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -34.649 -30.267 1.215 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -33.169 -30.450 3.460 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -32.396 -30.477 1.888 1.00 20.00 H new ATOM 691 N ARG A 37 -33.183 -25.159 2.579 1.00 20.00 N ATOM 692 CA ARG A 37 -33.756 -23.997 3.237 1.00 20.00 C ATOM 693 C ARG A 37 -35.064 -23.617 2.548 1.00 20.00 C ATOM 694 O ARG A 37 -35.125 -23.554 1.317 1.00 20.00 O ATOM 695 CB ARG A 37 -32.784 -22.809 3.213 1.00 20.00 C ATOM 696 CG ARG A 37 -31.553 -22.977 4.099 1.00 20.00 C ATOM 697 CD ARG A 37 -30.513 -23.907 3.489 1.00 20.00 C ATOM 698 NE ARG A 37 -29.335 -24.038 4.347 1.00 20.00 N ATOM 699 CZ ARG A 37 -28.130 -24.418 3.921 1.00 20.00 C ATOM 700 NH1 ARG A 37 -27.939 -24.753 2.649 1.00 20.00 N ATOM 701 NH2 ARG A 37 -27.115 -24.471 4.780 1.00 20.00 N ATOM 0 H ARG A 37 -32.451 -24.941 1.903 1.00 20.00 H new ATOM 0 HA ARG A 37 -33.949 -24.250 4.279 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -32.457 -22.645 2.186 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -33.320 -21.912 3.524 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -31.102 -22.001 4.276 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -31.859 -23.368 5.069 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -30.955 -24.890 3.325 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -30.212 -23.526 2.513 1.00 20.00 H new ATOM 0 HE ARG A 37 -29.443 -23.824 5.338 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -28.717 -24.720 1.991 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -27.014 -25.043 2.331 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -27.261 -24.222 5.758 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -26.191 -24.761 4.460 1.00 20.00 H new ATOM 715 N PRO A 38 -36.127 -23.376 3.331 1.00 20.00 N ATOM 716 CA PRO A 38 -37.457 -23.063 2.795 1.00 20.00 C ATOM 717 C PRO A 38 -37.504 -21.701 2.116 1.00 20.00 C ATOM 718 O PRO A 38 -36.778 -20.778 2.496 1.00 20.00 O ATOM 719 CB PRO A 38 -38.354 -23.071 4.036 1.00 20.00 C ATOM 720 CG PRO A 38 -37.438 -22.763 5.168 1.00 20.00 C ATOM 721 CD PRO A 38 -36.117 -23.383 4.806 1.00 20.00 C ATOM 0 HA PRO A 38 -37.762 -23.774 2.027 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -39.147 -22.328 3.956 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -38.836 -24.039 4.169 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -37.339 -21.687 5.309 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -37.820 -23.174 6.103 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -35.281 -22.808 5.205 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.026 -24.394 5.202 1.00 20.00 H new ATOM 729 N ALA A 39 -38.368 -21.575 1.116 1.00 20.00 N ATOM 730 CA ALA A 39 -38.508 -20.334 0.371 1.00 20.00 C ATOM 731 C ALA A 39 -39.336 -19.323 1.155 1.00 20.00 C ATOM 732 O ALA A 39 -40.480 -19.022 0.807 1.00 20.00 O ATOM 733 CB ALA A 39 -39.134 -20.599 -0.989 1.00 20.00 C ATOM 0 H ALA A 39 -38.985 -22.324 0.802 1.00 20.00 H new ATOM 0 HA ALA A 39 -37.514 -19.913 0.218 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -39.232 -19.660 -1.534 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -38.500 -21.282 -1.554 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -40.119 -21.045 -0.855 1.00 20.00 H new ATOM 739 N ILE A 40 -38.754 -18.817 2.227 1.00 20.00 N ATOM 740 CA ILE A 40 -39.415 -17.837 3.071 1.00 20.00 C ATOM 741 C ILE A 40 -39.127 -16.421 2.581 1.00 20.00 C ATOM 742 O ILE A 40 -38.009 -16.116 2.158 1.00 20.00 O ATOM 743 CB ILE A 40 -38.978 -17.978 4.546 1.00 20.00 C ATOM 744 CG1 ILE A 40 -37.452 -17.955 4.668 1.00 20.00 C ATOM 745 CG2 ILE A 40 -39.544 -19.257 5.138 1.00 20.00 C ATOM 746 CD1 ILE A 40 -36.958 -18.048 6.094 1.00 20.00 C ATOM 0 H ILE A 40 -37.816 -19.071 2.536 1.00 20.00 H new ATOM 0 HA ILE A 40 -40.487 -18.024 3.010 1.00 20.00 H new ATOM 0 HB ILE A 40 -39.371 -17.129 5.106 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -37.037 -18.783 4.094 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -37.074 -17.036 4.220 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -39.230 -19.347 6.178 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -40.633 -19.230 5.089 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -39.176 -20.113 4.573 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -35.868 -18.026 6.104 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -37.343 -17.205 6.668 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -37.306 -18.980 6.540 1.00 20.00 H new ATOM 758 N PRO A 41 -40.147 -15.549 2.589 1.00 20.00 N ATOM 759 CA PRO A 41 -39.988 -14.137 2.225 1.00 20.00 C ATOM 760 C PRO A 41 -39.012 -13.423 3.164 1.00 20.00 C ATOM 761 O PRO A 41 -38.865 -13.803 4.328 1.00 20.00 O ATOM 762 CB PRO A 41 -41.400 -13.557 2.389 1.00 20.00 C ATOM 763 CG PRO A 41 -42.312 -14.732 2.345 1.00 20.00 C ATOM 764 CD PRO A 41 -41.540 -15.874 2.936 1.00 20.00 C ATOM 0 HA PRO A 41 -39.583 -14.014 1.221 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -41.497 -13.018 3.331 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -41.630 -12.850 1.592 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -43.223 -14.541 2.913 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -42.615 -14.953 1.322 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -41.682 -15.941 4.015 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -41.848 -16.830 2.514 1.00 20.00 H new ATOM 772 N HIS A 42 -38.359 -12.379 2.655 1.00 20.00 N ATOM 773 CA HIS A 42 -37.337 -11.656 3.419 1.00 20.00 C ATOM 774 C HIS A 42 -37.939 -10.956 4.635 1.00 20.00 C ATOM 775 O HIS A 42 -37.223 -10.559 5.550 1.00 20.00 O ATOM 776 CB HIS A 42 -36.589 -10.643 2.531 1.00 20.00 C ATOM 777 CG HIS A 42 -37.454 -9.584 1.902 1.00 20.00 C ATOM 778 ND1 HIS A 42 -37.880 -9.637 0.591 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.947 -8.426 2.404 1.00 20.00 C ATOM 780 CE1 HIS A 42 -38.593 -8.562 0.315 1.00 20.00 C ATOM 781 NE2 HIS A 42 -38.648 -7.812 1.398 1.00 20.00 N ATOM 0 H HIS A 42 -38.518 -12.013 1.716 1.00 20.00 H new ATOM 0 HA HIS A 42 -36.619 -12.394 3.776 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -35.822 -10.154 3.131 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -36.075 -11.188 1.739 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.813 -8.055 3.410 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -39.053 -8.335 -0.635 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.134 -6.919 1.475 1.00 20.00 H new ATOM 790 N ASP A 43 -39.259 -10.813 4.637 1.00 20.00 N ATOM 791 CA ASP A 43 -39.977 -10.236 5.773 1.00 20.00 C ATOM 792 C ASP A 43 -39.903 -11.172 6.979 1.00 20.00 C ATOM 793 O ASP A 43 -40.018 -10.742 8.128 1.00 20.00 O ATOM 794 CB ASP A 43 -41.437 -9.962 5.389 1.00 20.00 C ATOM 795 CG ASP A 43 -42.251 -9.359 6.519 1.00 20.00 C ATOM 796 OD1 ASP A 43 -42.072 -8.159 6.816 1.00 20.00 O ATOM 797 OD2 ASP A 43 -43.086 -10.078 7.107 1.00 20.00 O ATOM 0 H ASP A 43 -39.859 -11.090 3.860 1.00 20.00 H new ATOM 0 HA ASP A 43 -39.507 -9.291 6.044 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -41.460 -9.287 4.533 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -41.903 -10.895 5.072 1.00 20.00 H new ATOM 802 N GLU A 44 -39.687 -12.452 6.704 1.00 20.00 N ATOM 803 CA GLU A 44 -39.546 -13.456 7.750 1.00 20.00 C ATOM 804 C GLU A 44 -38.124 -13.453 8.296 1.00 20.00 C ATOM 805 O GLU A 44 -37.903 -13.439 9.509 1.00 20.00 O ATOM 806 CB GLU A 44 -39.879 -14.845 7.200 1.00 20.00 C ATOM 807 CG GLU A 44 -41.319 -15.001 6.743 1.00 20.00 C ATOM 808 CD GLU A 44 -42.305 -14.904 7.886 1.00 20.00 C ATOM 809 OE1 GLU A 44 -42.513 -15.920 8.581 1.00 20.00 O ATOM 810 OE2 GLU A 44 -42.880 -13.817 8.093 1.00 20.00 O ATOM 0 H GLU A 44 -39.605 -12.821 5.757 1.00 20.00 H new ATOM 0 HA GLU A 44 -40.240 -13.214 8.555 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -39.217 -15.060 6.361 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -39.670 -15.588 7.969 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.547 -14.232 6.005 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.437 -15.964 6.247 1.00 20.00 H new ATOM 817 N VAL A 45 -37.165 -13.447 7.378 1.00 20.00 N ATOM 818 CA VAL A 45 -35.750 -13.488 7.731 1.00 20.00 C ATOM 819 C VAL A 45 -35.347 -12.234 8.493 1.00 20.00 C ATOM 820 O VAL A 45 -34.470 -12.281 9.353 1.00 20.00 O ATOM 821 CB VAL A 45 -34.861 -13.633 6.479 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.396 -13.794 6.864 1.00 20.00 C ATOM 823 CG2 VAL A 45 -35.326 -14.806 5.633 1.00 20.00 C ATOM 0 H VAL A 45 -37.344 -13.414 6.374 1.00 20.00 H new ATOM 0 HA VAL A 45 -35.602 -14.361 8.367 1.00 20.00 H new ATOM 0 HB VAL A 45 -34.953 -12.721 5.889 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -32.792 -13.894 5.962 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -33.069 -12.918 7.425 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -33.278 -14.685 7.481 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.689 -14.895 4.753 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -35.266 -15.723 6.219 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -36.357 -14.642 5.319 1.00 20.00 H new ATOM 833 N GLU A 46 -36.012 -11.126 8.176 1.00 20.00 N ATOM 834 CA GLU A 46 -35.780 -9.846 8.845 1.00 20.00 C ATOM 835 C GLU A 46 -35.738 -10.017 10.364 1.00 20.00 C ATOM 836 O GLU A 46 -34.874 -9.459 11.043 1.00 20.00 O ATOM 837 CB GLU A 46 -36.881 -8.849 8.462 1.00 20.00 C ATOM 838 CG GLU A 46 -36.689 -7.458 9.043 1.00 20.00 C ATOM 839 CD GLU A 46 -35.481 -6.743 8.473 1.00 20.00 C ATOM 840 OE1 GLU A 46 -35.602 -6.152 7.376 1.00 20.00 O ATOM 841 OE2 GLU A 46 -34.415 -6.753 9.124 1.00 20.00 O ATOM 0 H GLU A 46 -36.726 -11.089 7.449 1.00 20.00 H new ATOM 0 HA GLU A 46 -34.813 -9.462 8.519 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -36.926 -8.774 7.376 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -37.842 -9.240 8.795 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -37.582 -6.863 8.850 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -36.583 -7.533 10.125 1.00 20.00 H new ATOM 848 N ARG A 47 -36.657 -10.819 10.889 1.00 20.00 N ATOM 849 CA ARG A 47 -36.715 -11.062 12.319 1.00 20.00 C ATOM 850 C ARG A 47 -35.636 -12.051 12.741 1.00 20.00 C ATOM 851 O ARG A 47 -34.879 -11.794 13.675 1.00 20.00 O ATOM 852 CB ARG A 47 -38.097 -11.586 12.724 1.00 20.00 C ATOM 853 CG ARG A 47 -38.221 -11.848 14.216 1.00 20.00 C ATOM 854 CD ARG A 47 -39.649 -12.174 14.628 1.00 20.00 C ATOM 855 NE ARG A 47 -40.128 -13.426 14.047 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.084 -14.178 14.592 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.635 -13.821 15.744 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.491 -15.285 13.985 1.00 20.00 N ATOM 0 H ARG A 47 -37.368 -11.309 10.346 1.00 20.00 H new ATOM 0 HA ARG A 47 -36.539 -10.115 12.829 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -38.855 -10.863 12.424 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -38.303 -12.508 12.181 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -37.567 -12.675 14.493 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -37.877 -10.972 14.766 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -39.705 -12.237 15.715 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -40.307 -11.360 14.322 1.00 20.00 H new ATOM 0 HE ARG A 47 -39.706 -13.743 13.174 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.327 -12.970 16.214 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -42.367 -14.398 16.160 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.072 -15.564 13.098 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -42.223 -15.858 14.406 1.00 20.00 H new ATOM 872 N ARG A 48 -35.552 -13.168 12.027 1.00 20.00 N ATOM 873 CA ARG A 48 -34.638 -14.247 12.390 1.00 20.00 C ATOM 874 C ARG A 48 -33.181 -13.796 12.354 1.00 20.00 C ATOM 875 O ARG A 48 -32.394 -14.151 13.231 1.00 20.00 O ATOM 876 CB ARG A 48 -34.838 -15.447 11.468 1.00 20.00 C ATOM 877 CG ARG A 48 -36.216 -16.078 11.577 1.00 20.00 C ATOM 878 CD ARG A 48 -36.529 -16.500 13.008 1.00 20.00 C ATOM 879 NE ARG A 48 -37.813 -17.189 13.107 1.00 20.00 N ATOM 880 CZ ARG A 48 -38.546 -17.249 14.219 1.00 20.00 C ATOM 881 NH1 ARG A 48 -38.163 -16.603 15.312 1.00 20.00 N ATOM 882 NH2 ARG A 48 -39.678 -17.940 14.232 1.00 20.00 N ATOM 0 H ARG A 48 -36.107 -13.351 11.191 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.869 -14.538 13.415 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -34.672 -15.134 10.437 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -34.084 -16.200 11.698 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -36.969 -15.369 11.233 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -36.272 -16.946 10.921 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -35.738 -17.154 13.374 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -36.539 -15.620 13.651 1.00 20.00 H new ATOM 0 HE ARG A 48 -38.172 -17.654 12.273 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.302 -16.056 15.306 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -38.729 -16.654 16.159 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -39.988 -18.426 13.391 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -40.238 -17.985 15.083 1.00 20.00 H new ATOM 896 N MET A 49 -32.824 -13.007 11.350 1.00 20.00 N ATOM 897 CA MET A 49 -31.458 -12.520 11.221 1.00 20.00 C ATOM 898 C MET A 49 -31.123 -11.583 12.375 1.00 20.00 C ATOM 899 O MET A 49 -30.013 -11.612 12.910 1.00 20.00 O ATOM 900 CB MET A 49 -31.263 -11.799 9.886 1.00 20.00 C ATOM 901 CG MET A 49 -29.828 -11.358 9.647 1.00 20.00 C ATOM 902 SD MET A 49 -29.609 -10.455 8.102 1.00 20.00 S ATOM 903 CE MET A 49 -30.043 -11.714 6.901 1.00 20.00 C ATOM 0 H MET A 49 -33.458 -12.692 10.616 1.00 20.00 H new ATOM 0 HA MET A 49 -30.785 -13.377 11.252 1.00 20.00 H new ATOM 0 HB2 MET A 49 -31.573 -12.459 9.076 1.00 20.00 H new ATOM 0 HB3 MET A 49 -31.915 -10.926 9.853 1.00 20.00 H new ATOM 0 HG2 MET A 49 -29.505 -10.729 10.477 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.181 -12.235 9.642 1.00 20.00 H new ATOM 0 HE1 MET A 49 -29.615 -11.456 5.932 1.00 20.00 H new ATOM 0 HE2 MET A 49 -29.651 -12.678 7.226 1.00 20.00 H new ATOM 0 HE3 MET A 49 -31.128 -11.775 6.814 1.00 20.00 H new ATOM 913 N ALA A 50 -32.098 -10.766 12.761 1.00 20.00 N ATOM 914 CA ALA A 50 -31.939 -9.852 13.882 1.00 20.00 C ATOM 915 C ALA A 50 -31.765 -10.625 15.182 1.00 20.00 C ATOM 916 O ALA A 50 -30.948 -10.262 16.033 1.00 20.00 O ATOM 917 CB ALA A 50 -33.132 -8.915 13.974 1.00 20.00 C ATOM 0 H ALA A 50 -33.011 -10.720 12.309 1.00 20.00 H new ATOM 0 HA ALA A 50 -31.042 -9.255 13.716 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -32.998 -8.237 14.817 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.213 -8.337 13.053 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -34.042 -9.498 14.117 1.00 20.00 H new ATOM 923 N GLU A 51 -32.535 -11.697 15.324 1.00 20.00 N ATOM 924 CA GLU A 51 -32.453 -12.547 16.503 1.00 20.00 C ATOM 925 C GLU A 51 -31.098 -13.236 16.566 1.00 20.00 C ATOM 926 O GLU A 51 -30.458 -13.275 17.617 1.00 20.00 O ATOM 927 CB GLU A 51 -33.560 -13.605 16.494 1.00 20.00 C ATOM 928 CG GLU A 51 -34.968 -13.036 16.450 1.00 20.00 C ATOM 929 CD GLU A 51 -36.027 -14.106 16.607 1.00 20.00 C ATOM 930 OE1 GLU A 51 -35.996 -15.105 15.853 1.00 20.00 O ATOM 931 OE2 GLU A 51 -36.900 -13.952 17.487 1.00 20.00 O ATOM 0 H GLU A 51 -33.224 -11.998 14.635 1.00 20.00 H new ATOM 0 HA GLU A 51 -32.579 -11.913 17.380 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.417 -14.256 15.632 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -33.460 -14.227 17.384 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -35.083 -12.296 17.242 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.118 -12.516 15.504 1.00 20.00 H new ATOM 938 N ARG A 52 -30.660 -13.766 15.428 1.00 20.00 N ATOM 939 CA ARG A 52 -29.393 -14.481 15.350 1.00 20.00 C ATOM 940 C ARG A 52 -28.216 -13.546 15.616 1.00 20.00 C ATOM 941 O ARG A 52 -27.211 -13.960 16.188 1.00 20.00 O ATOM 942 CB ARG A 52 -29.239 -15.165 13.985 1.00 20.00 C ATOM 943 CG ARG A 52 -27.920 -15.911 13.821 1.00 20.00 C ATOM 944 CD ARG A 52 -27.902 -16.767 12.564 1.00 20.00 C ATOM 945 NE ARG A 52 -28.023 -15.976 11.340 1.00 20.00 N ATOM 946 CZ ARG A 52 -28.329 -16.498 10.149 1.00 20.00 C ATOM 947 NH1 ARG A 52 -28.555 -17.803 10.029 1.00 20.00 N ATOM 948 NH2 ARG A 52 -28.397 -15.722 9.075 1.00 20.00 N ATOM 0 H ARG A 52 -31.167 -13.713 14.545 1.00 20.00 H new ATOM 0 HA ARG A 52 -29.395 -15.249 16.123 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -30.063 -15.865 13.844 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.322 -14.413 13.200 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -27.100 -15.194 13.783 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -27.750 -16.543 14.693 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -26.974 -17.339 12.532 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.719 -17.487 12.608 1.00 20.00 H new ATOM 0 HE ARG A 52 -27.865 -14.970 11.399 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.495 -18.408 10.848 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -28.788 -18.199 9.118 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -28.215 -14.722 9.156 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -28.631 -16.126 8.168 1.00 20.00 H new ATOM 962 N PHE A 53 -28.354 -12.285 15.218 1.00 20.00 N ATOM 963 CA PHE A 53 -27.318 -11.287 15.466 1.00 20.00 C ATOM 964 C PHE A 53 -27.021 -11.188 16.962 1.00 20.00 C ATOM 965 O PHE A 53 -25.868 -11.265 17.386 1.00 20.00 O ATOM 966 CB PHE A 53 -27.752 -9.923 14.914 1.00 20.00 C ATOM 967 CG PHE A 53 -26.772 -8.812 15.186 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.585 -8.720 14.474 1.00 20.00 C ATOM 969 CD2 PHE A 53 -27.038 -7.860 16.159 1.00 20.00 C ATOM 970 CE1 PHE A 53 -24.686 -7.699 14.728 1.00 20.00 C ATOM 971 CE2 PHE A 53 -26.143 -6.840 16.416 1.00 20.00 C ATOM 972 CZ PHE A 53 -24.965 -6.760 15.700 1.00 20.00 C ATOM 0 H PHE A 53 -29.172 -11.930 14.723 1.00 20.00 H new ATOM 0 HA PHE A 53 -26.407 -11.595 14.953 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -27.899 -10.008 13.837 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -28.716 -9.657 15.347 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.360 -9.453 13.713 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -27.957 -7.917 16.723 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -23.766 -7.637 14.166 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -26.364 -6.106 17.176 1.00 20.00 H new ATOM 0 HZ PHE A 53 -24.263 -5.964 15.900 1.00 20.00 H new ATOM 982 N ALA A 54 -28.073 -11.054 17.760 1.00 20.00 N ATOM 983 CA ALA A 54 -27.931 -10.975 19.206 1.00 20.00 C ATOM 984 C ALA A 54 -27.668 -12.358 19.793 1.00 20.00 C ATOM 985 O ALA A 54 -27.110 -12.490 20.884 1.00 20.00 O ATOM 986 CB ALA A 54 -29.176 -10.358 19.822 1.00 20.00 C ATOM 0 H ALA A 54 -29.036 -10.998 17.428 1.00 20.00 H new ATOM 0 HA ALA A 54 -27.078 -10.338 19.439 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -29.058 -10.304 20.904 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.321 -9.354 19.422 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -30.044 -10.973 19.582 1.00 20.00 H new ATOM 992 N LYS A 55 -28.057 -13.384 19.048 1.00 20.00 N ATOM 993 CA LYS A 55 -27.884 -14.768 19.472 1.00 20.00 C ATOM 994 C LYS A 55 -26.411 -15.160 19.402 1.00 20.00 C ATOM 995 O LYS A 55 -25.964 -16.073 20.092 1.00 20.00 O ATOM 996 CB LYS A 55 -28.726 -15.693 18.588 1.00 20.00 C ATOM 997 CG LYS A 55 -28.964 -17.079 19.170 1.00 20.00 C ATOM 998 CD LYS A 55 -29.921 -17.885 18.310 1.00 20.00 C ATOM 999 CE LYS A 55 -29.263 -18.378 17.028 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.324 -19.503 17.283 1.00 20.00 N ATOM 0 H LYS A 55 -28.500 -13.282 18.135 1.00 20.00 H new ATOM 0 HA LYS A 55 -28.219 -14.868 20.504 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -29.690 -15.220 18.404 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -28.233 -15.798 17.622 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -28.015 -17.608 19.254 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -29.368 -16.987 20.178 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -30.288 -18.739 18.880 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -30.787 -17.272 18.060 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -30.032 -18.699 16.326 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -28.725 -17.556 16.557 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -27.434 -19.336 16.771 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.129 -19.568 18.303 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.751 -20.393 16.954 1.00 20.00 H new ATOM 1014 N MET A 56 -25.662 -14.451 18.566 1.00 20.00 N ATOM 1015 CA MET A 56 -24.226 -14.669 18.453 1.00 20.00 C ATOM 1016 C MET A 56 -23.503 -14.067 19.650 1.00 20.00 C ATOM 1017 O MET A 56 -22.324 -14.335 19.879 1.00 20.00 O ATOM 1018 CB MET A 56 -23.678 -14.069 17.155 1.00 20.00 C ATOM 1019 CG MET A 56 -24.227 -14.723 15.895 1.00 20.00 C ATOM 1020 SD MET A 56 -23.990 -16.513 15.865 1.00 20.00 S ATOM 1021 CE MET A 56 -22.203 -16.623 15.941 1.00 20.00 C ATOM 0 H MET A 56 -26.026 -13.719 17.956 1.00 20.00 H new ATOM 0 HA MET A 56 -24.050 -15.745 18.434 1.00 20.00 H new ATOM 0 HB2 MET A 56 -23.911 -13.004 17.131 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.592 -14.158 17.155 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.291 -14.502 15.812 1.00 20.00 H new ATOM 0 HG3 MET A 56 -23.741 -14.284 15.024 1.00 20.00 H new ATOM 0 HE1 MET A 56 -21.890 -17.639 15.700 1.00 20.00 H new ATOM 0 HE2 MET A 56 -21.765 -15.929 15.224 1.00 20.00 H new ATOM 0 HE3 MET A 56 -21.865 -16.368 16.945 1.00 20.00 H new ATOM 1031 N ARG A 57 -24.218 -13.243 20.407 1.00 20.00 N ATOM 1032 CA ARG A 57 -23.689 -12.685 21.641 1.00 20.00 C ATOM 1033 C ARG A 57 -24.121 -13.547 22.817 1.00 20.00 C ATOM 1034 O ARG A 57 -23.293 -14.089 23.550 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.173 -11.249 21.846 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.720 -10.287 20.765 1.00 20.00 C ATOM 1037 CD ARG A 57 -24.043 -8.850 21.135 1.00 20.00 C ATOM 1038 NE ARG A 57 -23.367 -8.437 22.366 1.00 20.00 N ATOM 1039 CZ ARG A 57 -23.088 -7.172 22.676 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.414 -6.193 21.844 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -22.477 -6.885 23.820 1.00 20.00 N ATOM 0 H ARG A 57 -25.169 -12.947 20.185 1.00 20.00 H new ATOM 0 HA ARG A 57 -22.601 -12.672 21.575 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.262 -11.246 21.888 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -23.816 -10.890 22.811 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -22.646 -10.392 20.608 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -24.206 -10.540 19.823 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.747 -8.190 20.320 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -25.120 -8.741 21.258 1.00 20.00 H new ATOM 0 HE ARG A 57 -23.093 -9.163 23.028 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.880 -6.407 20.962 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.199 -5.226 22.085 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.220 -7.634 24.463 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -22.264 -5.916 24.055 1.00 20.00 H new ATOM 1055 N LYS A 58 -25.427 -13.683 22.977 1.00 20.00 N ATOM 1056 CA LYS A 58 -26.000 -14.520 24.014 1.00 20.00 C ATOM 1057 C LYS A 58 -27.075 -15.389 23.386 1.00 20.00 C ATOM 1058 O LYS A 58 -27.902 -14.898 22.622 1.00 20.00 O ATOM 1059 CB LYS A 58 -26.578 -13.652 25.145 1.00 20.00 C ATOM 1060 CG LYS A 58 -27.052 -14.430 26.373 1.00 20.00 C ATOM 1061 CD LYS A 58 -28.442 -15.039 26.193 1.00 20.00 C ATOM 1062 CE LYS A 58 -29.569 -14.030 26.430 1.00 20.00 C ATOM 1063 NZ LYS A 58 -29.651 -12.982 25.376 1.00 20.00 N ATOM 0 H LYS A 58 -26.119 -13.216 22.391 1.00 20.00 H new ATOM 0 HA LYS A 58 -25.231 -15.155 24.453 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -25.819 -12.935 25.458 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -27.416 -13.077 24.751 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -26.338 -15.225 26.591 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -27.062 -13.765 27.236 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -28.529 -15.443 25.184 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -28.559 -15.875 26.882 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -30.519 -14.562 26.479 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -29.421 -13.551 27.398 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -30.616 -12.596 25.345 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -28.980 -12.218 25.593 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -29.415 -13.399 24.453 1.00 20.00 H new ATOM 1077 N GLU A 59 -27.058 -16.671 23.694 1.00 20.00 N ATOM 1078 CA GLU A 59 -27.980 -17.605 23.074 1.00 20.00 C ATOM 1079 C GLU A 59 -28.734 -18.413 24.118 1.00 20.00 C ATOM 1080 O GLU A 59 -29.966 -18.413 24.153 1.00 20.00 O ATOM 1081 CB GLU A 59 -27.213 -18.544 22.141 1.00 20.00 C ATOM 1082 CG GLU A 59 -28.090 -19.563 21.439 1.00 20.00 C ATOM 1083 CD GLU A 59 -27.295 -20.478 20.537 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -26.929 -20.047 19.425 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -27.033 -21.634 20.932 1.00 20.00 O ATOM 0 H GLU A 59 -26.418 -17.090 24.368 1.00 20.00 H new ATOM 0 HA GLU A 59 -28.710 -17.034 22.500 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -26.692 -17.949 21.391 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -26.451 -19.070 22.716 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -28.618 -20.159 22.183 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -28.847 -19.044 20.851 1.00 20.00 H new ATOM 1092 N ARG A 60 -27.987 -19.087 24.973 1.00 20.00 N ATOM 1093 CA ARG A 60 -28.564 -20.018 25.925 1.00 20.00 C ATOM 1094 C ARG A 60 -28.394 -19.503 27.346 1.00 20.00 C ATOM 1095 O ARG A 60 -27.482 -18.725 27.628 1.00 20.00 O ATOM 1096 CB ARG A 60 -27.901 -21.387 25.760 1.00 20.00 C ATOM 1097 CG ARG A 60 -27.960 -21.895 24.327 1.00 20.00 C ATOM 1098 CD ARG A 60 -27.233 -23.215 24.157 1.00 20.00 C ATOM 1099 NE ARG A 60 -27.226 -23.648 22.759 1.00 20.00 N ATOM 1100 CZ ARG A 60 -27.079 -24.912 22.367 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -26.901 -25.872 23.266 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -27.111 -25.217 21.074 1.00 20.00 N ATOM 0 H ARG A 60 -26.972 -19.006 25.027 1.00 20.00 H new ATOM 0 HA ARG A 60 -29.632 -20.115 25.732 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -26.860 -21.323 26.077 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -28.391 -22.106 26.417 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -29.001 -22.015 24.028 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -27.521 -21.152 23.661 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -26.208 -23.115 24.513 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -27.711 -23.977 24.772 1.00 20.00 H new ATOM 0 HE ARG A 60 -27.341 -22.935 22.038 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -26.877 -25.642 24.259 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -26.789 -26.840 22.963 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -27.248 -24.482 20.380 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -26.998 -26.186 20.776 1.00 20.00 H new ATOM 1116 N SER A 61 -29.285 -19.931 28.228 1.00 20.00 N ATOM 1117 CA SER A 61 -29.272 -19.491 29.615 1.00 20.00 C ATOM 1118 C SER A 61 -28.109 -20.118 30.380 1.00 20.00 C ATOM 1119 O SER A 61 -28.245 -21.197 30.966 1.00 20.00 O ATOM 1120 CB SER A 61 -30.598 -19.852 30.286 1.00 20.00 C ATOM 1121 OG SER A 61 -31.698 -19.436 29.495 1.00 20.00 O ATOM 0 H SER A 61 -30.032 -20.588 28.005 1.00 20.00 H new ATOM 0 HA SER A 61 -29.142 -18.409 29.630 1.00 20.00 H new ATOM 0 HB2 SER A 61 -30.647 -20.929 30.446 1.00 20.00 H new ATOM 0 HB3 SER A 61 -30.653 -19.381 31.268 1.00 20.00 H new ATOM 0 HG SER A 61 -32.534 -19.679 29.944 1.00 20.00 H new ATOM 1127 N LYS A 62 -26.965 -19.443 30.361 1.00 20.00 N ATOM 1128 CA LYS A 62 -25.792 -19.896 31.091 1.00 20.00 C ATOM 1129 C LYS A 62 -26.040 -19.810 32.591 1.00 20.00 C ATOM 1130 O LYS A 62 -26.632 -18.844 33.078 1.00 20.00 O ATOM 1131 CB LYS A 62 -24.572 -19.053 30.720 1.00 20.00 C ATOM 1132 CG LYS A 62 -24.139 -19.201 29.271 1.00 20.00 C ATOM 1133 CD LYS A 62 -22.978 -18.276 28.952 1.00 20.00 C ATOM 1134 CE LYS A 62 -22.506 -18.433 27.516 1.00 20.00 C ATOM 1135 NZ LYS A 62 -21.893 -19.765 27.268 1.00 20.00 N ATOM 0 H LYS A 62 -26.827 -18.575 29.844 1.00 20.00 H new ATOM 0 HA LYS A 62 -25.598 -20.934 30.820 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -24.794 -18.004 30.917 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -23.740 -19.330 31.368 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -23.849 -20.234 29.078 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -24.978 -18.977 28.612 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -23.279 -17.243 29.124 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -22.151 -18.484 29.631 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -23.350 -18.292 26.841 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -21.780 -17.653 27.287 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -21.465 -19.779 26.320 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -21.159 -19.948 27.982 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -22.625 -20.501 27.328 1.00 20.00 H new ATOM 1149 N GLN A 63 -25.599 -20.823 33.315 1.00 20.00 N ATOM 1150 CA GLN A 63 -25.783 -20.872 34.753 1.00 20.00 C ATOM 1151 C GLN A 63 -24.674 -21.704 35.382 1.00 20.00 C ATOM 1152 O GLN A 63 -24.767 -22.948 35.340 1.00 20.00 O ATOM 1153 CB GLN A 63 -27.160 -21.455 35.083 1.00 20.00 C ATOM 1154 CG GLN A 63 -27.444 -21.574 36.569 1.00 20.00 C ATOM 1155 CD GLN A 63 -28.857 -22.040 36.850 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -29.781 -21.751 36.088 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -29.034 -22.774 37.937 1.00 20.00 N ATOM 1158 OXT GLN A 63 -23.700 -21.108 35.892 1.00 20.00 O ATOM 0 H GLN A 63 -25.108 -21.628 32.926 1.00 20.00 H new ATOM 0 HA GLN A 63 -25.733 -19.863 35.163 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -27.926 -20.828 34.627 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -27.243 -22.442 34.628 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -26.738 -22.273 37.016 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -27.281 -20.608 37.046 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -28.241 -22.990 38.541 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -29.963 -23.124 38.171 1.00 20.00 H new TER 1167 GLN A 63