USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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: B 58 SER OG : rot 180:sc= 0.382 USER MOD Set 1.2: B 61 ASN : amide:sc= 0.522 K(o=0.9,f=1.5) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.47 USER MOD Set 2.2: A 61 ASN : amide:sc= 0.558 X(o=1,f=1.5) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -147:sc= -0.253 (180deg=-0.566) USER MOD Single : A 52 SER OG : rot 67:sc= 1.22 USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 0.828 (180deg=-0.0033) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.139 K(o=-0.14,f=-4.9!) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.07) USER MOD Single : A 69 GLN : amide:sc= 0.715 K(o=0.72,f=-0.078) USER MOD Single : A 72 MET CE :methyl -167:sc= -0.0658 (180deg=-0.288) USER MOD Single : A 78 ASN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 106:sc= 1.23 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -164:sc= -0.251 (180deg=-0.539) USER MOD Single : B 52 SER OG : rot 26:sc= 1.2 USER MOD Single : B 53 LYS NZ :NH3+ -117:sc= 0.825 (180deg=-0.00208) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= -0.114 K(o=-0.11,f=-4.8!) USER MOD Single : B 68 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.08) USER MOD Single : B 69 GLN : amide:sc= 0.71 K(o=0.71,f=-0.061) USER MOD Single : B 72 MET CE :methyl -168:sc= -0.0595 (180deg=-0.305) USER MOD Single : B 78 ASN : amide:sc= 0.641 K(o=0.64,f=0) USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 38 15.297 -9.439 -50.599 1.00 0.00 N ATOM 2 CA ASP A 38 14.978 -9.758 -49.212 1.00 0.00 C ATOM 3 C ASP A 38 14.350 -8.566 -48.503 1.00 0.00 C ATOM 4 O ASP A 38 13.603 -8.728 -47.538 1.00 0.00 O ATOM 5 CB ASP A 38 16.237 -10.201 -48.461 1.00 0.00 C ATOM 6 CG ASP A 38 16.816 -11.504 -48.994 1.00 0.00 C ATOM 7 OD1 ASP A 38 16.083 -12.458 -49.105 1.00 0.00 O ATOM 8 OD2 ASP A 38 17.988 -11.533 -49.286 1.00 0.00 O ATOM 0 HA ASP A 38 14.257 -10.575 -49.218 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.991 -9.418 -48.533 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.000 -10.320 -47.404 1.00 0.00 H new ATOM 13 N TYR A 39 14.656 -7.367 -48.987 1.00 0.00 N ATOM 14 CA TYR A 39 14.213 -6.141 -48.334 1.00 0.00 C ATOM 15 C TYR A 39 12.882 -5.664 -48.902 1.00 0.00 C ATOM 16 O TYR A 39 11.871 -5.638 -48.201 1.00 0.00 O ATOM 17 CB TYR A 39 15.273 -5.046 -48.476 1.00 0.00 C ATOM 18 CG TYR A 39 14.880 -3.731 -47.840 1.00 0.00 C ATOM 19 CD1 TYR A 39 14.832 -3.615 -46.458 1.00 0.00 C ATOM 20 CD2 TYR A 39 14.569 -2.640 -48.638 1.00 0.00 C ATOM 21 CE1 TYR A 39 14.473 -2.414 -45.878 1.00 0.00 C ATOM 22 CE2 TYR A 39 14.211 -1.439 -48.058 1.00 0.00 C ATOM 23 CZ TYR A 39 14.162 -1.324 -46.683 1.00 0.00 C ATOM 24 OH TYR A 39 13.806 -0.128 -46.105 1.00 0.00 O ATOM 0 H TYR A 39 15.210 -7.218 -49.831 1.00 0.00 H new ATOM 0 HA TYR A 39 14.071 -6.358 -47.275 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.203 -5.393 -48.026 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.473 -4.882 -49.535 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.075 -4.464 -45.836 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.607 -2.730 -49.714 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.434 -2.322 -44.803 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.969 -0.590 -48.680 1.00 0.00 H new ATOM 0 HH TYR A 39 13.621 0.532 -46.806 1.00 0.00 H new ATOM 34 N LEU A 40 12.890 -5.287 -50.177 1.00 0.00 N ATOM 35 CA LEU A 40 11.711 -4.710 -50.812 1.00 0.00 C ATOM 36 C LEU A 40 10.598 -5.742 -50.947 1.00 0.00 C ATOM 37 O LEU A 40 9.429 -5.443 -50.704 1.00 0.00 O ATOM 38 CB LEU A 40 12.072 -4.155 -52.195 1.00 0.00 C ATOM 39 CG LEU A 40 12.977 -2.916 -52.198 1.00 0.00 C ATOM 40 CD1 LEU A 40 13.371 -2.577 -53.629 1.00 0.00 C ATOM 41 CD2 LEU A 40 12.248 -1.752 -51.542 1.00 0.00 C ATOM 0 H LEU A 40 13.700 -5.371 -50.791 1.00 0.00 H new ATOM 0 HA LEU A 40 11.353 -3.898 -50.178 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.564 -4.943 -52.766 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.149 -3.910 -52.720 1.00 0.00 H new ATOM 0 HG LEU A 40 13.885 -3.118 -51.630 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.014 -1.697 -53.631 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.907 -3.419 -54.068 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.475 -2.373 -54.214 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.891 -0.872 -51.544 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.335 -1.536 -52.097 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.995 -2.014 -50.515 1.00 0.00 H new ATOM 53 N PRO A 41 10.968 -6.957 -51.337 1.00 0.00 N ATOM 54 CA PRO A 41 10.010 -8.050 -51.451 1.00 0.00 C ATOM 55 C PRO A 41 9.192 -8.200 -50.176 1.00 0.00 C ATOM 56 O PRO A 41 7.992 -8.472 -50.225 1.00 0.00 O ATOM 57 CB PRO A 41 10.906 -9.268 -51.696 1.00 0.00 C ATOM 58 CG PRO A 41 12.084 -8.718 -52.424 1.00 0.00 C ATOM 59 CD PRO A 41 12.359 -7.400 -51.749 1.00 0.00 C ATOM 0 HA PRO A 41 9.274 -7.900 -52.241 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.202 -9.739 -50.759 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.393 -10.027 -52.286 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.942 -9.387 -52.354 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.869 -8.584 -53.484 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.022 -7.512 -50.891 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.830 -6.687 -52.425 1.00 0.00 H new ATOM 67 N THR A 42 9.847 -8.023 -49.034 1.00 0.00 N ATOM 68 CA THR A 42 9.168 -8.078 -47.744 1.00 0.00 C ATOM 69 C THR A 42 8.192 -6.919 -47.587 1.00 0.00 C ATOM 70 O THR A 42 7.058 -7.106 -47.147 1.00 0.00 O ATOM 71 CB THR A 42 10.180 -8.063 -46.584 1.00 0.00 C ATOM 72 OG1 THR A 42 11.031 -9.213 -46.674 1.00 0.00 O ATOM 73 CG2 THR A 42 9.458 -8.075 -45.246 1.00 0.00 C ATOM 0 H THR A 42 10.849 -7.840 -48.975 1.00 0.00 H new ATOM 0 HA THR A 42 8.610 -9.014 -47.712 1.00 0.00 H new ATOM 0 HB THR A 42 10.777 -7.154 -46.655 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.918 -8.940 -46.990 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.189 -8.064 -44.438 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.819 -7.195 -45.169 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.847 -8.974 -45.170 1.00 0.00 H new ATOM 81 N LEU A 43 8.640 -5.721 -47.948 1.00 0.00 N ATOM 82 CA LEU A 43 7.787 -4.540 -47.904 1.00 0.00 C ATOM 83 C LEU A 43 6.604 -4.677 -48.855 1.00 0.00 C ATOM 84 O LEU A 43 5.511 -4.183 -48.577 1.00 0.00 O ATOM 85 CB LEU A 43 8.597 -3.287 -48.264 1.00 0.00 C ATOM 86 CG LEU A 43 9.687 -2.890 -47.261 1.00 0.00 C ATOM 87 CD1 LEU A 43 10.467 -1.700 -47.803 1.00 0.00 C ATOM 88 CD2 LEU A 43 9.049 -2.560 -45.920 1.00 0.00 C ATOM 0 H LEU A 43 9.590 -5.543 -48.274 1.00 0.00 H new ATOM 0 HA LEU A 43 7.402 -4.444 -46.889 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.064 -3.445 -49.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.907 -2.450 -48.374 1.00 0.00 H new ATOM 0 HG LEU A 43 10.380 -3.719 -47.117 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.242 -1.418 -47.090 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.929 -1.970 -48.753 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.790 -0.860 -47.954 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.824 -2.278 -45.208 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.351 -1.732 -46.043 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.514 -3.433 -45.547 1.00 0.00 H new ATOM 100 N ARG A 44 6.830 -5.351 -49.978 1.00 0.00 N ATOM 101 CA ARG A 44 5.767 -5.613 -50.940 1.00 0.00 C ATOM 102 C ARG A 44 4.691 -6.510 -50.343 1.00 0.00 C ATOM 103 O ARG A 44 3.498 -6.274 -50.529 1.00 0.00 O ATOM 104 CB ARG A 44 6.329 -6.267 -52.194 1.00 0.00 C ATOM 105 CG ARG A 44 7.196 -5.360 -53.054 1.00 0.00 C ATOM 106 CD ARG A 44 7.797 -6.096 -54.195 1.00 0.00 C ATOM 107 NE ARG A 44 8.760 -5.282 -54.920 1.00 0.00 N ATOM 108 CZ ARG A 44 9.666 -5.762 -55.793 1.00 0.00 C ATOM 109 NH1 ARG A 44 9.722 -7.053 -56.038 1.00 0.00 N ATOM 110 NH2 ARG A 44 10.499 -4.938 -56.402 1.00 0.00 N ATOM 0 H ARG A 44 7.741 -5.726 -50.244 1.00 0.00 H new ATOM 0 HA ARG A 44 5.319 -4.654 -51.201 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.917 -7.137 -51.901 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.499 -6.633 -52.799 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.595 -4.532 -53.431 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.988 -4.927 -52.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.288 -6.997 -53.827 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.008 -6.417 -54.875 1.00 0.00 H new ATOM 0 HE ARG A 44 8.748 -4.275 -54.755 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.079 -7.690 -55.567 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.408 -7.417 -56.699 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.457 -3.937 -56.211 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.185 -5.303 -57.063 1.00 0.00 H new ATOM 124 N LYS A 45 5.121 -7.542 -49.624 1.00 0.00 N ATOM 125 CA LYS A 45 4.199 -8.411 -48.903 1.00 0.00 C ATOM 126 C LYS A 45 3.423 -7.635 -47.846 1.00 0.00 C ATOM 127 O LYS A 45 2.231 -7.865 -47.642 1.00 0.00 O ATOM 128 CB LYS A 45 4.953 -9.573 -48.254 1.00 0.00 C ATOM 129 CG LYS A 45 5.496 -10.599 -49.240 1.00 0.00 C ATOM 130 CD LYS A 45 6.283 -11.688 -48.526 1.00 0.00 C ATOM 131 CE LYS A 45 6.854 -12.696 -49.513 1.00 0.00 C ATOM 132 NZ LYS A 45 7.663 -13.743 -48.833 1.00 0.00 N ATOM 0 H LYS A 45 6.104 -7.797 -49.525 1.00 0.00 H new ATOM 0 HA LYS A 45 3.486 -8.811 -49.624 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.783 -9.172 -47.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.287 -10.077 -47.554 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.671 -11.047 -49.794 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.137 -10.103 -49.969 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.094 -11.238 -47.953 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.636 -12.200 -47.814 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.039 -13.167 -50.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.473 -12.177 -50.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.034 -14.409 -49.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.456 -13.297 -48.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.066 -14.256 -48.153 1.00 0.00 H new ATOM 146 N GLU A 46 4.107 -6.713 -47.176 1.00 0.00 N ATOM 147 CA GLU A 46 3.462 -5.836 -46.205 1.00 0.00 C ATOM 148 C GLU A 46 2.386 -4.984 -46.864 1.00 0.00 C ATOM 149 O GLU A 46 1.328 -4.745 -46.282 1.00 0.00 O ATOM 150 CB GLU A 46 4.495 -4.951 -45.523 1.00 0.00 C ATOM 0 H GLU A 46 5.108 -6.554 -47.288 1.00 0.00 H new ATOM 0 HA GLU A 46 2.982 -6.461 -45.452 1.00 0.00 H new ATOM 155 N LEU A 47 2.661 -4.527 -48.080 1.00 0.00 N ATOM 156 CA LEU A 47 1.699 -3.735 -48.838 1.00 0.00 C ATOM 157 C LEU A 47 0.489 -4.572 -49.234 1.00 0.00 C ATOM 158 O LEU A 47 -0.642 -4.087 -49.225 1.00 0.00 O ATOM 159 CB LEU A 47 2.361 -3.157 -50.095 1.00 0.00 C ATOM 160 CG LEU A 47 3.393 -2.049 -49.852 1.00 0.00 C ATOM 161 CD1 LEU A 47 4.156 -1.773 -51.141 1.00 0.00 C ATOM 162 CD2 LEU A 47 2.686 -0.795 -49.358 1.00 0.00 C ATOM 0 H LEU A 47 3.544 -4.692 -48.563 1.00 0.00 H new ATOM 0 HA LEU A 47 1.360 -2.919 -48.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.848 -3.970 -50.634 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.580 -2.765 -50.747 1.00 0.00 H new ATOM 0 HG LEU A 47 4.106 -2.365 -49.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.889 -0.985 -50.968 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.667 -2.680 -51.463 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.458 -1.455 -51.916 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.420 -0.008 -49.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.967 -0.463 -50.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.164 -1.015 -48.427 1.00 0.00 H new ATOM 174 N MET A 48 0.734 -5.830 -49.581 1.00 0.00 N ATOM 175 CA MET A 48 -0.343 -6.763 -49.892 1.00 0.00 C ATOM 176 C MET A 48 -1.275 -6.944 -48.701 1.00 0.00 C ATOM 177 O MET A 48 -2.497 -6.960 -48.854 1.00 0.00 O ATOM 178 CB MET A 48 0.234 -8.109 -50.327 1.00 0.00 C ATOM 179 CG MET A 48 0.975 -8.077 -51.656 1.00 0.00 C ATOM 180 SD MET A 48 1.733 -9.660 -52.068 1.00 0.00 S ATOM 181 CE MET A 48 0.296 -10.604 -52.568 1.00 0.00 C ATOM 0 H MET A 48 1.670 -6.228 -49.654 1.00 0.00 H new ATOM 0 HA MET A 48 -0.926 -6.347 -50.713 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.915 -8.465 -49.554 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.578 -8.833 -50.395 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.281 -7.794 -52.448 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.747 -7.308 -51.619 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.435 -11.650 -52.296 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.589 -10.213 -52.066 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.166 -10.524 -53.647 1.00 0.00 H new ATOM 191 N GLU A 49 -0.693 -7.081 -47.515 1.00 0.00 N ATOM 192 CA GLU A 49 -1.470 -7.150 -46.283 1.00 0.00 C ATOM 193 C GLU A 49 -2.382 -5.939 -46.138 1.00 0.00 C ATOM 194 O GLU A 49 -3.567 -6.075 -45.836 1.00 0.00 O ATOM 195 CB GLU A 49 -0.540 -7.250 -45.071 1.00 0.00 C ATOM 196 CG GLU A 49 -1.260 -7.322 -43.732 1.00 0.00 C ATOM 197 CD GLU A 49 -0.316 -7.396 -42.564 1.00 0.00 C ATOM 198 OE1 GLU A 49 0.865 -7.517 -42.786 1.00 0.00 O ATOM 199 OE2 GLU A 49 -0.776 -7.332 -41.448 1.00 0.00 O ATOM 0 H GLU A 49 0.316 -7.147 -47.381 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.092 -8.043 -46.331 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.087 -8.135 -45.181 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.125 -6.387 -45.066 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.899 -6.446 -43.621 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.912 -8.196 -43.722 1.00 0.00 H new ATOM 206 N VAL A 50 -1.822 -4.754 -46.355 1.00 0.00 N ATOM 207 CA VAL A 50 -2.569 -3.512 -46.190 1.00 0.00 C ATOM 208 C VAL A 50 -3.717 -3.423 -47.187 1.00 0.00 C ATOM 209 O VAL A 50 -4.797 -2.930 -46.862 1.00 0.00 O ATOM 210 CB VAL A 50 -1.637 -2.299 -46.374 1.00 0.00 C ATOM 211 CG1 VAL A 50 -2.442 -1.010 -46.412 1.00 0.00 C ATOM 212 CG2 VAL A 50 -0.609 -2.261 -45.254 1.00 0.00 C ATOM 0 H VAL A 50 -0.853 -4.627 -46.646 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.982 -3.505 -45.181 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.113 -2.397 -47.325 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.768 -0.164 -46.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.146 -1.045 -47.244 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.991 -0.896 -45.477 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.046 -1.401 -45.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.119 -2.179 -44.294 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.016 -3.175 -45.273 1.00 0.00 H new ATOM 222 N LEU A 51 -3.477 -3.903 -48.402 1.00 0.00 N ATOM 223 CA LEU A 51 -4.481 -3.853 -49.458 1.00 0.00 C ATOM 224 C LEU A 51 -5.559 -4.908 -49.243 1.00 0.00 C ATOM 225 O LEU A 51 -6.735 -4.674 -49.523 1.00 0.00 O ATOM 226 CB LEU A 51 -3.822 -4.058 -50.827 1.00 0.00 C ATOM 227 CG LEU A 51 -2.876 -2.939 -51.284 1.00 0.00 C ATOM 228 CD1 LEU A 51 -2.031 -3.433 -52.450 1.00 0.00 C ATOM 229 CD2 LEU A 51 -3.690 -1.717 -51.679 1.00 0.00 C ATOM 0 H LEU A 51 -2.594 -4.332 -48.680 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.951 -2.870 -49.427 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.264 -4.994 -50.805 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.607 -4.173 -51.574 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.208 -2.659 -50.469 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.359 -2.639 -52.775 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.446 -4.297 -52.135 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.682 -3.718 -53.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.019 -0.922 -52.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.365 -1.977 -52.494 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.271 -1.374 -50.823 1.00 0.00 H new ATOM 241 N SER A 52 -5.151 -6.071 -48.745 1.00 0.00 N ATOM 242 CA SER A 52 -6.094 -7.117 -48.370 1.00 0.00 C ATOM 243 C SER A 52 -7.089 -6.616 -47.330 1.00 0.00 C ATOM 244 O SER A 52 -8.253 -7.013 -47.329 1.00 0.00 O ATOM 245 CB SER A 52 -5.350 -8.323 -47.831 1.00 0.00 C ATOM 246 OG SER A 52 -6.239 -9.349 -47.488 1.00 0.00 O ATOM 0 H SER A 52 -4.172 -6.312 -48.592 1.00 0.00 H new ATOM 0 HA SER A 52 -6.649 -7.404 -49.263 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.644 -8.684 -48.579 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.767 -8.034 -46.956 1.00 0.00 H new ATOM 0 HG SER A 52 -6.662 -9.700 -48.299 1.00 0.00 H new ATOM 252 N LYS A 53 -6.621 -5.741 -46.446 1.00 0.00 N ATOM 253 CA LYS A 53 -7.440 -5.256 -45.341 1.00 0.00 C ATOM 254 C LYS A 53 -8.288 -4.064 -45.767 1.00 0.00 C ATOM 255 O LYS A 53 -9.345 -3.805 -45.192 1.00 0.00 O ATOM 256 CB LYS A 53 -6.561 -4.876 -44.149 1.00 0.00 C ATOM 257 CG LYS A 53 -5.895 -6.059 -43.458 1.00 0.00 C ATOM 258 CD LYS A 53 -4.989 -5.599 -42.325 1.00 0.00 C ATOM 259 CE LYS A 53 -4.342 -6.780 -41.618 1.00 0.00 C ATOM 260 NZ LYS A 53 -3.392 -6.342 -40.558 1.00 0.00 N ATOM 0 H LYS A 53 -5.678 -5.353 -46.473 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.110 -6.063 -45.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.788 -4.186 -44.488 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.169 -4.340 -43.420 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.659 -6.731 -43.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.313 -6.627 -44.184 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.215 -4.941 -42.720 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.567 -5.016 -41.608 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.116 -7.406 -41.175 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.814 -7.394 -42.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.432 -6.659 -40.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.406 -5.305 -40.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.674 -6.756 -39.647 1.00 0.00 H new ATOM 274 N TYR A 54 -7.817 -3.340 -46.777 1.00 0.00 N ATOM 275 CA TYR A 54 -8.523 -2.163 -47.269 1.00 0.00 C ATOM 276 C TYR A 54 -9.625 -2.549 -48.247 1.00 0.00 C ATOM 277 O TYR A 54 -10.786 -2.184 -48.064 1.00 0.00 O ATOM 278 CB TYR A 54 -7.544 -1.189 -47.930 1.00 0.00 C ATOM 279 CG TYR A 54 -6.718 -0.392 -46.946 1.00 0.00 C ATOM 280 CD1 TYR A 54 -6.862 -0.609 -45.583 1.00 0.00 C ATOM 281 CD2 TYR A 54 -5.815 0.556 -47.405 1.00 0.00 C ATOM 282 CE1 TYR A 54 -6.107 0.119 -44.684 1.00 0.00 C ATOM 283 CE2 TYR A 54 -5.061 1.283 -46.506 1.00 0.00 C ATOM 284 CZ TYR A 54 -5.204 1.069 -45.151 1.00 0.00 C ATOM 285 OH TYR A 54 -4.453 1.794 -44.256 1.00 0.00 O ATOM 0 H TYR A 54 -6.949 -3.548 -47.271 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.987 -1.670 -46.415 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.874 -1.749 -48.583 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.103 -0.500 -48.563 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.564 -1.347 -45.225 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.702 0.725 -48.466 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.217 -0.049 -43.623 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.358 2.021 -46.864 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.871 2.414 -44.744 1.00 0.00 H new ATOM 295 N VAL A 55 -9.254 -3.290 -49.285 1.00 0.00 N ATOM 296 CA VAL A 55 -10.178 -3.611 -50.366 1.00 0.00 C ATOM 297 C VAL A 55 -10.907 -4.921 -50.097 1.00 0.00 C ATOM 298 O VAL A 55 -11.825 -5.294 -50.827 1.00 0.00 O ATOM 299 CB VAL A 55 -9.422 -3.714 -51.704 1.00 0.00 C ATOM 300 CG1 VAL A 55 -10.377 -4.084 -52.829 1.00 0.00 C ATOM 301 CG2 VAL A 55 -8.719 -2.398 -52.003 1.00 0.00 C ATOM 0 H VAL A 55 -8.319 -3.680 -49.401 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.912 -2.808 -50.422 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.672 -4.501 -51.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.826 -4.152 -53.767 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.842 -5.045 -52.610 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.149 -3.320 -52.917 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.186 -2.477 -52.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.456 -1.598 -52.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.010 -2.175 -51.206 1.00 0.00 H new ATOM 311 N ASN A 56 -10.492 -5.617 -49.044 1.00 0.00 N ATOM 312 CA ASN A 56 -11.141 -6.860 -48.643 1.00 0.00 C ATOM 313 C ASN A 56 -10.978 -7.936 -49.709 1.00 0.00 C ATOM 314 O ASN A 56 -11.858 -8.775 -49.897 1.00 0.00 O ATOM 315 CB ASN A 56 -12.610 -6.624 -48.343 1.00 0.00 C ATOM 316 CG ASN A 56 -12.820 -5.676 -47.194 1.00 0.00 C ATOM 317 OD1 ASN A 56 -12.101 -5.731 -46.190 1.00 0.00 O ATOM 318 ND2 ASN A 56 -13.791 -4.809 -47.322 1.00 0.00 N ATOM 0 H ASN A 56 -9.708 -5.341 -48.452 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.654 -7.213 -47.734 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.099 -6.226 -49.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.088 -7.577 -48.115 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.980 -4.141 -46.575 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.359 -4.801 -48.169 1.00 0.00 H new ATOM 325 N VAL A 57 -9.847 -7.905 -50.406 1.00 0.00 N ATOM 326 CA VAL A 57 -9.459 -9.000 -51.286 1.00 0.00 C ATOM 327 C VAL A 57 -8.360 -9.848 -50.658 1.00 0.00 C ATOM 328 O VAL A 57 -7.761 -9.462 -49.654 1.00 0.00 O ATOM 329 CB VAL A 57 -8.969 -8.451 -52.639 1.00 0.00 C ATOM 330 CG1 VAL A 57 -10.089 -7.701 -53.346 1.00 0.00 C ATOM 331 CG2 VAL A 57 -7.765 -7.547 -52.426 1.00 0.00 C ATOM 0 H VAL A 57 -9.182 -7.132 -50.378 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.337 -9.626 -51.442 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.669 -9.286 -53.272 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.726 -7.320 -54.300 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.926 -8.377 -53.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.418 -6.868 -52.724 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.424 -7.163 -53.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.045 -6.714 -51.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.962 -8.115 -51.957 1.00 0.00 H new ATOM 341 N SER A 58 -8.099 -11.005 -51.255 1.00 0.00 N ATOM 342 CA SER A 58 -7.043 -11.892 -50.781 1.00 0.00 C ATOM 343 C SER A 58 -5.712 -11.572 -51.452 1.00 0.00 C ATOM 344 O SER A 58 -5.651 -10.755 -52.370 1.00 0.00 O ATOM 345 CB SER A 58 -7.416 -13.337 -51.042 1.00 0.00 C ATOM 346 OG SER A 58 -7.401 -13.621 -52.414 1.00 0.00 O ATOM 0 H SER A 58 -8.605 -11.351 -52.070 1.00 0.00 H new ATOM 0 HA SER A 58 -6.932 -11.737 -49.708 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.719 -13.995 -50.523 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.407 -13.539 -50.636 1.00 0.00 H new ATOM 0 HG SER A 58 -7.644 -14.560 -52.556 1.00 0.00 H new ATOM 352 N LEU A 59 -4.650 -12.223 -50.989 1.00 0.00 N ATOM 353 CA LEU A 59 -3.312 -11.973 -51.510 1.00 0.00 C ATOM 354 C LEU A 59 -3.226 -12.309 -52.993 1.00 0.00 C ATOM 355 O LEU A 59 -2.507 -11.655 -53.747 1.00 0.00 O ATOM 356 CB LEU A 59 -2.278 -12.796 -50.732 1.00 0.00 C ATOM 357 CG LEU A 59 -2.118 -12.434 -49.250 1.00 0.00 C ATOM 358 CD1 LEU A 59 -1.159 -13.414 -48.588 1.00 0.00 C ATOM 359 CD2 LEU A 59 -1.609 -11.005 -49.129 1.00 0.00 C ATOM 0 H LEU A 59 -4.691 -12.928 -50.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.098 -10.912 -51.386 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.551 -13.849 -50.802 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.310 -12.685 -51.221 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.081 -12.501 -48.744 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.045 -13.157 -47.535 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.556 -14.426 -48.674 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.188 -13.362 -49.081 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.495 -10.747 -48.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.645 -10.919 -49.630 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.322 -10.324 -49.594 1.00 0.00 H new ATOM 371 N ASP A 60 -3.964 -13.334 -53.406 1.00 0.00 N ATOM 372 CA ASP A 60 -3.916 -13.806 -54.784 1.00 0.00 C ATOM 373 C ASP A 60 -4.584 -12.815 -55.729 1.00 0.00 C ATOM 374 O ASP A 60 -4.463 -12.928 -56.949 1.00 0.00 O ATOM 375 CB ASP A 60 -4.595 -15.173 -54.907 1.00 0.00 C ATOM 376 CG ASP A 60 -3.800 -16.290 -54.243 1.00 0.00 C ATOM 377 OD1 ASP A 60 -2.634 -16.096 -53.992 1.00 0.00 O ATOM 378 OD2 ASP A 60 -4.367 -17.327 -53.993 1.00 0.00 O ATOM 0 H ASP A 60 -4.603 -13.854 -52.805 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.867 -13.900 -55.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.587 -15.123 -54.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.735 -15.410 -55.962 1.00 0.00 H new ATOM 383 N ASN A 61 -5.289 -11.844 -55.159 1.00 0.00 N ATOM 384 CA ASN A 61 -5.969 -10.825 -55.950 1.00 0.00 C ATOM 385 C ASN A 61 -5.131 -9.557 -56.052 1.00 0.00 C ATOM 386 O ASN A 61 -5.603 -8.526 -56.530 1.00 0.00 O ATOM 387 CB ASN A 61 -7.334 -10.517 -55.363 1.00 0.00 C ATOM 388 CG ASN A 61 -8.331 -11.615 -55.608 1.00 0.00 C ATOM 389 OD1 ASN A 61 -8.917 -11.706 -56.693 1.00 0.00 O ATOM 390 ND2 ASN A 61 -8.532 -12.451 -54.622 1.00 0.00 N ATOM 0 H ASN A 61 -5.405 -11.741 -54.151 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.106 -11.218 -56.957 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.235 -10.354 -54.290 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.709 -9.588 -55.793 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.196 -13.218 -54.731 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.025 -12.336 -53.744 1.00 0.00 H new ATOM 397 N ILE A 62 -3.884 -9.640 -55.601 1.00 0.00 N ATOM 398 CA ILE A 62 -2.973 -8.503 -55.652 1.00 0.00 C ATOM 399 C ILE A 62 -1.745 -8.818 -56.495 1.00 0.00 C ATOM 400 O ILE A 62 -1.136 -9.879 -56.351 1.00 0.00 O ATOM 401 CB ILE A 62 -2.533 -8.089 -54.236 1.00 0.00 C ATOM 402 CG1 ILE A 62 -3.752 -7.742 -53.377 1.00 0.00 C ATOM 403 CG2 ILE A 62 -1.572 -6.911 -54.301 1.00 0.00 C ATOM 404 CD1 ILE A 62 -3.443 -7.615 -51.903 1.00 0.00 C ATOM 0 H ILE A 62 -3.481 -10.485 -55.195 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.512 -7.676 -56.114 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.015 -8.930 -53.775 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.179 -6.804 -53.731 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.512 -8.511 -53.514 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.271 -6.631 -53.292 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.691 -7.192 -54.878 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.065 -6.065 -54.780 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.355 -7.368 -51.360 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.044 -8.559 -51.532 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.706 -6.826 -51.752 1.00 0.00 H new ATOM 416 N ARG A 63 -1.383 -7.891 -57.375 1.00 0.00 N ATOM 417 CA ARG A 63 -0.181 -8.032 -58.187 1.00 0.00 C ATOM 418 C ARG A 63 0.768 -6.859 -57.975 1.00 0.00 C ATOM 419 O ARG A 63 0.379 -5.700 -58.114 1.00 0.00 O ATOM 420 CB ARG A 63 -0.539 -8.128 -59.663 1.00 0.00 C ATOM 421 CG ARG A 63 -1.358 -9.352 -60.043 1.00 0.00 C ATOM 422 CD ARG A 63 -0.563 -10.602 -59.932 1.00 0.00 C ATOM 423 NE ARG A 63 -1.336 -11.773 -60.314 1.00 0.00 N ATOM 424 CZ ARG A 63 -2.125 -12.475 -59.477 1.00 0.00 C ATOM 425 NH1 ARG A 63 -2.234 -12.113 -58.218 1.00 0.00 N ATOM 426 NH2 ARG A 63 -2.788 -13.527 -59.922 1.00 0.00 N ATOM 0 H ARG A 63 -1.906 -7.032 -57.544 1.00 0.00 H new ATOM 0 HA ARG A 63 0.318 -8.949 -57.875 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.095 -7.234 -59.946 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.382 -8.129 -60.246 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.233 -9.419 -59.397 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.723 -9.243 -61.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.320 -10.528 -60.566 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.211 -10.718 -58.907 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.277 -12.085 -61.283 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.721 -11.301 -57.875 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.831 -12.644 -57.584 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.703 -13.808 -60.899 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.385 -14.059 -59.289 1.00 0.00 H new ATOM 440 N ILE A 64 2.016 -7.169 -57.636 1.00 0.00 N ATOM 441 CA ILE A 64 3.032 -6.143 -57.438 1.00 0.00 C ATOM 442 C ILE A 64 4.267 -6.418 -58.286 1.00 0.00 C ATOM 443 O ILE A 64 4.782 -7.537 -58.303 1.00 0.00 O ATOM 444 CB ILE A 64 3.437 -6.050 -55.955 1.00 0.00 C ATOM 445 CG1 ILE A 64 2.216 -5.735 -55.087 1.00 0.00 C ATOM 446 CG2 ILE A 64 4.517 -4.997 -55.763 1.00 0.00 C ATOM 447 CD1 ILE A 64 2.516 -5.690 -53.606 1.00 0.00 C ATOM 0 H ILE A 64 2.347 -8.123 -57.493 1.00 0.00 H new ATOM 0 HA ILE A 64 2.598 -5.193 -57.750 1.00 0.00 H new ATOM 0 HB ILE A 64 3.840 -7.014 -55.645 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.802 -4.775 -55.394 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.448 -6.486 -55.270 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.791 -4.945 -54.709 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.394 -5.263 -56.353 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.141 -4.027 -56.089 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.603 -5.462 -53.057 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.901 -6.657 -53.283 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.261 -4.919 -53.409 1.00 0.00 H new ATOM 459 N SER A 65 4.737 -5.394 -58.989 1.00 0.00 N ATOM 460 CA SER A 65 5.894 -5.532 -59.865 1.00 0.00 C ATOM 461 C SER A 65 6.646 -4.214 -59.997 1.00 0.00 C ATOM 462 O SER A 65 6.037 -3.147 -60.075 1.00 0.00 O ATOM 463 CB SER A 65 5.457 -6.016 -61.234 1.00 0.00 C ATOM 464 OG SER A 65 6.555 -6.133 -62.099 1.00 0.00 O ATOM 0 H SER A 65 4.334 -4.457 -58.969 1.00 0.00 H new ATOM 0 HA SER A 65 6.567 -6.265 -59.420 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.958 -6.981 -61.141 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.730 -5.321 -61.655 1.00 0.00 H new ATOM 0 HG SER A 65 6.249 -6.448 -62.975 1.00 0.00 H new ATOM 470 N GLN A 66 7.972 -4.295 -60.022 1.00 0.00 N ATOM 471 CA GLN A 66 8.809 -3.111 -60.176 1.00 0.00 C ATOM 472 C GLN A 66 9.538 -3.122 -61.513 1.00 0.00 C ATOM 473 O GLN A 66 10.093 -4.143 -61.921 1.00 0.00 O ATOM 474 CB GLN A 66 9.820 -3.017 -59.030 1.00 0.00 C ATOM 475 CG GLN A 66 10.696 -1.776 -59.074 1.00 0.00 C ATOM 476 CD GLN A 66 11.602 -1.665 -57.862 1.00 0.00 C ATOM 477 OE1 GLN A 66 11.299 -2.200 -56.792 1.00 0.00 O ATOM 478 NE2 GLN A 66 12.720 -0.966 -58.022 1.00 0.00 N ATOM 0 H GLN A 66 8.491 -5.169 -59.937 1.00 0.00 H new ATOM 0 HA GLN A 66 8.158 -2.237 -60.149 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.281 -3.035 -58.083 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.459 -3.900 -59.050 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.304 -1.796 -59.978 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.064 -0.890 -59.134 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.931 -0.541 -58.925 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.368 -0.855 -57.242 1.00 0.00 H new ATOM 487 N GLU A 67 9.533 -1.981 -62.193 1.00 0.00 N ATOM 488 CA GLU A 67 10.064 -1.894 -63.548 1.00 0.00 C ATOM 489 C GLU A 67 10.972 -0.680 -63.707 1.00 0.00 C ATOM 490 O GLU A 67 10.777 0.343 -63.052 1.00 0.00 O ATOM 491 CB GLU A 67 8.924 -1.826 -64.566 1.00 0.00 C ATOM 492 CG GLU A 67 8.049 -3.071 -64.614 1.00 0.00 C ATOM 493 CD GLU A 67 6.986 -2.999 -65.675 1.00 0.00 C ATOM 494 OE1 GLU A 67 6.881 -1.980 -66.315 1.00 0.00 O ATOM 495 OE2 GLU A 67 6.280 -3.964 -65.846 1.00 0.00 O ATOM 0 H GLU A 67 9.166 -1.102 -61.827 1.00 0.00 H new ATOM 0 HA GLU A 67 10.654 -2.792 -63.732 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.297 -0.965 -64.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.347 -1.655 -65.556 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.677 -3.943 -64.795 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.576 -3.214 -63.642 1.00 0.00 H new ATOM 502 N LYS A 68 11.965 -0.802 -64.581 1.00 0.00 N ATOM 503 CA LYS A 68 12.858 0.311 -64.887 1.00 0.00 C ATOM 504 C LYS A 68 12.512 0.940 -66.231 1.00 0.00 C ATOM 505 O LYS A 68 12.603 0.291 -67.273 1.00 0.00 O ATOM 506 CB LYS A 68 14.314 -0.155 -64.882 1.00 0.00 C ATOM 507 CG LYS A 68 15.335 0.974 -64.954 1.00 0.00 C ATOM 508 CD LYS A 68 16.753 0.431 -65.051 1.00 0.00 C ATOM 509 CE LYS A 68 17.131 -0.356 -63.805 1.00 0.00 C ATOM 510 NZ LYS A 68 17.222 0.515 -62.602 1.00 0.00 N ATOM 0 H LYS A 68 12.172 -1.661 -65.091 1.00 0.00 H new ATOM 0 HA LYS A 68 12.727 1.068 -64.114 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.494 -0.735 -63.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.471 -0.826 -65.727 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.124 1.603 -65.819 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.245 1.606 -64.070 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.840 -0.210 -65.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.452 1.256 -65.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.391 -1.138 -63.632 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.088 -0.853 -63.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.547 -0.047 -61.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.897 1.286 -62.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.286 0.916 -62.392 1.00 0.00 H new ATOM 524 N GLN A 69 12.117 2.207 -66.200 1.00 0.00 N ATOM 525 CA GLN A 69 11.680 2.903 -67.406 1.00 0.00 C ATOM 526 C GLN A 69 12.179 4.342 -67.422 1.00 0.00 C ATOM 527 O GLN A 69 11.974 5.091 -66.466 1.00 0.00 O ATOM 528 CB GLN A 69 10.154 2.877 -67.516 1.00 0.00 C ATOM 529 CG GLN A 69 9.605 3.611 -68.728 1.00 0.00 C ATOM 530 CD GLN A 69 9.920 2.895 -70.029 1.00 0.00 C ATOM 531 OE1 GLN A 69 9.635 1.705 -70.184 1.00 0.00 O ATOM 532 NE2 GLN A 69 10.512 3.619 -70.972 1.00 0.00 N ATOM 0 H GLN A 69 12.090 2.774 -65.353 1.00 0.00 H new ATOM 0 HA GLN A 69 12.107 2.383 -68.264 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.821 1.840 -67.552 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.728 3.318 -66.615 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.525 3.717 -68.627 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.022 4.617 -68.760 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.729 4.601 -70.800 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.749 3.193 -71.868 1.00 0.00 H new ATOM 541 N ASP A 70 12.834 4.724 -68.513 1.00 0.00 N ATOM 542 CA ASP A 70 13.385 6.067 -68.645 1.00 0.00 C ATOM 543 C ASP A 70 14.429 6.344 -67.570 1.00 0.00 C ATOM 544 O ASP A 70 14.684 7.496 -67.221 1.00 0.00 O ATOM 545 CB ASP A 70 12.271 7.114 -68.564 1.00 0.00 C ATOM 546 CG ASP A 70 11.228 6.956 -69.662 1.00 0.00 C ATOM 547 OD1 ASP A 70 11.536 6.357 -70.665 1.00 0.00 O ATOM 548 OD2 ASP A 70 10.133 7.434 -69.487 1.00 0.00 O ATOM 0 H ASP A 70 12.996 4.121 -69.320 1.00 0.00 H new ATOM 0 HA ASP A 70 13.868 6.131 -69.620 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.782 7.042 -67.592 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.710 8.110 -68.627 1.00 0.00 H new ATOM 553 N GLY A 71 15.029 5.279 -67.049 1.00 0.00 N ATOM 554 CA GLY A 71 16.113 5.408 -66.082 1.00 0.00 C ATOM 555 C GLY A 71 15.581 5.403 -64.655 1.00 0.00 C ATOM 556 O GLY A 71 16.347 5.306 -63.696 1.00 0.00 O ATOM 0 H GLY A 71 14.783 4.317 -67.280 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.820 4.588 -66.212 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.660 6.333 -66.266 1.00 0.00 H new ATOM 560 N MET A 72 14.264 5.509 -64.520 1.00 0.00 N ATOM 561 CA MET A 72 13.630 5.564 -63.208 1.00 0.00 C ATOM 562 C MET A 72 13.036 4.215 -62.826 1.00 0.00 C ATOM 563 O MET A 72 12.598 3.452 -63.687 1.00 0.00 O ATOM 564 CB MET A 72 12.552 6.646 -63.187 1.00 0.00 C ATOM 565 CG MET A 72 13.047 8.036 -63.559 1.00 0.00 C ATOM 566 SD MET A 72 14.256 8.681 -62.386 1.00 0.00 S ATOM 567 CE MET A 72 13.220 8.964 -60.954 1.00 0.00 C ATOM 0 H MET A 72 13.614 5.559 -65.304 1.00 0.00 H new ATOM 0 HA MET A 72 14.395 5.813 -62.473 1.00 0.00 H new ATOM 0 HB2 MET A 72 11.756 6.361 -63.875 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.113 6.685 -62.190 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.492 8.005 -64.553 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.198 8.718 -63.611 1.00 0.00 H new ATOM 0 HE1 MET A 72 13.761 9.571 -60.228 1.00 0.00 H new ATOM 0 HE2 MET A 72 12.313 9.486 -61.259 1.00 0.00 H new ATOM 0 HE3 MET A 72 12.954 8.008 -60.502 1.00 0.00 H new ATOM 577 N ASP A 73 13.024 3.924 -61.529 1.00 0.00 N ATOM 578 CA ASP A 73 12.430 2.692 -61.025 1.00 0.00 C ATOM 579 C ASP A 73 11.031 2.941 -60.475 1.00 0.00 C ATOM 580 O ASP A 73 10.848 3.735 -59.553 1.00 0.00 O ATOM 581 CB ASP A 73 13.312 2.078 -59.935 1.00 0.00 C ATOM 582 CG ASP A 73 14.625 1.529 -60.475 1.00 0.00 C ATOM 583 OD1 ASP A 73 14.720 1.331 -61.663 1.00 0.00 O ATOM 584 OD2 ASP A 73 15.520 1.311 -59.694 1.00 0.00 O ATOM 0 H ASP A 73 13.420 4.526 -60.807 1.00 0.00 H new ATOM 0 HA ASP A 73 12.355 1.995 -61.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.524 2.833 -59.178 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.764 1.276 -59.441 1.00 0.00 H new ATOM 589 N VAL A 74 10.046 2.256 -61.046 1.00 0.00 N ATOM 590 CA VAL A 74 8.652 2.459 -60.669 1.00 0.00 C ATOM 591 C VAL A 74 8.035 1.175 -60.128 1.00 0.00 C ATOM 592 O VAL A 74 7.879 0.195 -60.856 1.00 0.00 O ATOM 593 CB VAL A 74 7.837 2.946 -61.881 1.00 0.00 C ATOM 594 CG1 VAL A 74 6.376 3.136 -61.498 1.00 0.00 C ATOM 595 CG2 VAL A 74 8.426 4.242 -62.416 1.00 0.00 C ATOM 0 H VAL A 74 10.188 1.554 -61.773 1.00 0.00 H new ATOM 0 HA VAL A 74 8.627 3.215 -59.884 1.00 0.00 H new ATOM 0 HB VAL A 74 7.886 2.191 -62.666 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.814 3.480 -62.366 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.964 2.188 -61.152 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.302 3.876 -60.701 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.844 4.580 -63.273 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.399 5.003 -61.636 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.458 4.073 -62.722 1.00 0.00 H new ATOM 605 N LEU A 75 7.687 1.187 -58.846 1.00 0.00 N ATOM 606 CA LEU A 75 6.914 0.102 -58.252 1.00 0.00 C ATOM 607 C LEU A 75 5.435 0.231 -58.588 1.00 0.00 C ATOM 608 O LEU A 75 4.850 1.307 -58.462 1.00 0.00 O ATOM 609 CB LEU A 75 7.100 0.092 -56.729 1.00 0.00 C ATOM 610 CG LEU A 75 6.409 -1.056 -55.983 1.00 0.00 C ATOM 611 CD1 LEU A 75 7.044 -2.380 -56.388 1.00 0.00 C ATOM 612 CD2 LEU A 75 6.527 -0.830 -54.483 1.00 0.00 C ATOM 0 H LEU A 75 7.928 1.937 -58.198 1.00 0.00 H new ATOM 0 HA LEU A 75 7.280 -0.837 -58.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.167 0.052 -56.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.729 1.036 -56.330 1.00 0.00 H new ATOM 0 HG LEU A 75 5.351 -1.087 -56.244 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.553 -3.196 -55.858 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.930 -2.525 -57.462 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.104 -2.368 -56.134 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.036 -1.646 -53.952 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.580 -0.796 -54.202 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.050 0.114 -54.219 1.00 0.00 H new ATOM 624 N GLU A 76 4.833 -0.873 -59.018 1.00 0.00 N ATOM 625 CA GLU A 76 3.439 -0.869 -59.446 1.00 0.00 C ATOM 626 C GLU A 76 2.625 -1.905 -58.681 1.00 0.00 C ATOM 627 O GLU A 76 3.039 -3.056 -58.545 1.00 0.00 O ATOM 628 CB GLU A 76 3.342 -1.139 -60.949 1.00 0.00 C ATOM 629 CG GLU A 76 1.921 -1.147 -61.495 1.00 0.00 C ATOM 630 CD GLU A 76 1.864 -1.427 -62.971 1.00 0.00 C ATOM 631 OE1 GLU A 76 2.513 -0.732 -63.715 1.00 0.00 O ATOM 632 OE2 GLU A 76 1.169 -2.338 -63.356 1.00 0.00 O ATOM 0 H GLU A 76 5.290 -1.783 -59.079 1.00 0.00 H new ATOM 0 HA GLU A 76 3.028 0.117 -59.232 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.918 -0.381 -61.480 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.806 -2.101 -61.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.337 -1.899 -60.965 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.455 -0.182 -61.295 1.00 0.00 H new ATOM 639 N LEU A 77 1.466 -1.488 -58.182 1.00 0.00 N ATOM 640 CA LEU A 77 0.549 -2.401 -57.512 1.00 0.00 C ATOM 641 C LEU A 77 -0.809 -2.422 -58.202 1.00 0.00 C ATOM 642 O LEU A 77 -1.331 -1.381 -58.600 1.00 0.00 O ATOM 643 CB LEU A 77 0.375 -1.994 -56.043 1.00 0.00 C ATOM 644 CG LEU A 77 1.646 -2.049 -55.184 1.00 0.00 C ATOM 645 CD1 LEU A 77 2.383 -0.720 -55.282 1.00 0.00 C ATOM 646 CD2 LEU A 77 1.271 -2.361 -53.743 1.00 0.00 C ATOM 0 H LEU A 77 1.140 -0.523 -58.229 1.00 0.00 H new ATOM 0 HA LEU A 77 0.977 -3.402 -57.563 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.020 -0.979 -56.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.375 -2.643 -55.591 1.00 0.00 H new ATOM 0 HG LEU A 77 2.307 -2.836 -55.546 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.286 -0.759 -54.672 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.655 -0.530 -56.320 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.737 0.082 -54.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.173 -2.400 -53.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.609 -1.583 -53.363 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.762 -3.324 -53.700 1.00 0.00 H new ATOM 658 N ASN A 78 -1.378 -3.616 -58.342 1.00 0.00 N ATOM 659 CA ASN A 78 -2.703 -3.769 -58.930 1.00 0.00 C ATOM 660 C ASN A 78 -3.612 -4.598 -58.032 1.00 0.00 C ATOM 661 O ASN A 78 -3.233 -5.676 -57.575 1.00 0.00 O ATOM 662 CB ASN A 78 -2.605 -4.390 -60.311 1.00 0.00 C ATOM 663 CG ASN A 78 -1.872 -3.514 -61.289 1.00 0.00 C ATOM 664 OD1 ASN A 78 -2.386 -2.473 -61.714 1.00 0.00 O ATOM 665 ND2 ASN A 78 -0.681 -3.916 -61.653 1.00 0.00 N ATOM 0 H ASN A 78 -0.941 -4.492 -58.056 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.144 -2.777 -59.027 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.096 -5.351 -60.238 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.608 -4.588 -60.688 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.136 -3.363 -62.314 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.298 -4.783 -61.275 1.00 0.00 H new ATOM 672 N ILE A 79 -4.813 -4.088 -57.783 1.00 0.00 N ATOM 673 CA ILE A 79 -5.774 -4.774 -56.926 1.00 0.00 C ATOM 674 C ILE A 79 -7.084 -5.028 -57.660 1.00 0.00 C ATOM 675 O ILE A 79 -7.809 -4.093 -57.998 1.00 0.00 O ATOM 676 CB ILE A 79 -6.050 -3.959 -55.649 1.00 0.00 C ATOM 677 CG1 ILE A 79 -4.740 -3.650 -54.919 1.00 0.00 C ATOM 678 CG2 ILE A 79 -7.008 -4.708 -54.736 1.00 0.00 C ATOM 679 CD1 ILE A 79 -4.106 -2.341 -55.332 1.00 0.00 C ATOM 0 H ILE A 79 -5.145 -3.201 -58.163 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.336 -5.733 -56.650 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.516 -3.016 -55.934 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.929 -3.629 -53.846 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.033 -4.459 -55.102 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.192 -4.117 -53.838 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.950 -4.878 -55.258 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.570 -5.666 -54.456 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.183 -2.191 -54.772 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.884 -2.365 -56.399 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.794 -1.522 -55.123 1.00 0.00 H new ATOM 691 N THR A 80 -7.381 -6.299 -57.905 1.00 0.00 N ATOM 692 CA THR A 80 -8.557 -6.676 -58.680 1.00 0.00 C ATOM 693 C THR A 80 -9.761 -6.911 -57.776 1.00 0.00 C ATOM 694 O THR A 80 -9.739 -7.788 -56.913 1.00 0.00 O ATOM 695 CB THR A 80 -8.287 -7.937 -59.521 1.00 0.00 C ATOM 696 OG1 THR A 80 -7.213 -7.684 -60.436 1.00 0.00 O ATOM 697 CG2 THR A 80 -9.530 -8.334 -60.301 1.00 0.00 C ATOM 0 H THR A 80 -6.822 -7.087 -57.577 1.00 0.00 H new ATOM 0 HA THR A 80 -8.780 -5.847 -59.351 1.00 0.00 H new ATOM 0 HB THR A 80 -8.017 -8.752 -58.850 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.041 -8.488 -60.969 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.320 -9.227 -60.890 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.345 -8.540 -59.607 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.817 -7.520 -60.967 1.00 0.00 H new ATOM 705 N LEU A 81 -10.811 -6.123 -57.981 1.00 0.00 N ATOM 706 CA LEU A 81 -12.042 -6.272 -57.213 1.00 0.00 C ATOM 707 C LEU A 81 -13.235 -6.513 -58.128 1.00 0.00 C ATOM 708 O LEU A 81 -13.879 -7.519 -58.022 1.00 0.00 O ATOM 709 CB LEU A 81 -12.287 -5.022 -56.358 1.00 0.00 C ATOM 710 CG LEU A 81 -13.578 -5.027 -55.529 1.00 0.00 C ATOM 711 CD1 LEU A 81 -13.492 -6.110 -54.462 1.00 0.00 C ATOM 712 CD2 LEU A 81 -13.784 -3.656 -54.901 1.00 0.00 C ATOM 0 H LEU A 81 -10.834 -5.374 -58.673 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.929 -7.139 -56.562 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.442 -4.896 -55.681 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.302 -4.152 -57.015 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.432 -5.243 -56.171 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.409 -6.114 -53.873 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.363 -7.081 -54.939 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.642 -5.911 -53.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.701 -3.660 -54.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.939 -3.421 -54.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.860 -2.904 -55.686 1.00 0.00 H new ATOM 725 N ASP B 38 -15.297 9.439 -50.599 1.00 0.00 N ATOM 726 CA ASP B 38 -14.978 9.758 -49.212 1.00 0.00 C ATOM 727 C ASP B 38 -14.350 8.566 -48.503 1.00 0.00 C ATOM 728 O ASP B 38 -13.603 8.728 -47.538 1.00 0.00 O ATOM 729 CB ASP B 38 -16.237 10.201 -48.461 1.00 0.00 C ATOM 730 CG ASP B 38 -16.816 11.504 -48.994 1.00 0.00 C ATOM 731 OD1 ASP B 38 -16.083 12.458 -49.105 1.00 0.00 O ATOM 732 OD2 ASP B 38 -17.988 11.533 -49.286 1.00 0.00 O ATOM 0 HA ASP B 38 -14.257 10.575 -49.218 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -16.991 9.418 -48.533 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -16.000 10.320 -47.404 1.00 0.00 H new ATOM 737 N TYR B 39 -14.656 7.367 -48.987 1.00 0.00 N ATOM 738 CA TYR B 39 -14.213 6.141 -48.334 1.00 0.00 C ATOM 739 C TYR B 39 -12.882 5.664 -48.902 1.00 0.00 C ATOM 740 O TYR B 39 -11.871 5.638 -48.201 1.00 0.00 O ATOM 741 CB TYR B 39 -15.273 5.046 -48.476 1.00 0.00 C ATOM 742 CG TYR B 39 -14.880 3.731 -47.840 1.00 0.00 C ATOM 743 CD1 TYR B 39 -14.832 3.615 -46.458 1.00 0.00 C ATOM 744 CD2 TYR B 39 -14.569 2.640 -48.638 1.00 0.00 C ATOM 745 CE1 TYR B 39 -14.473 2.414 -45.878 1.00 0.00 C ATOM 746 CE2 TYR B 39 -14.211 1.439 -48.058 1.00 0.00 C ATOM 747 CZ TYR B 39 -14.162 1.324 -46.683 1.00 0.00 C ATOM 748 OH TYR B 39 -13.806 0.128 -46.105 1.00 0.00 O ATOM 0 H TYR B 39 -15.210 7.218 -49.831 1.00 0.00 H new ATOM 0 HA TYR B 39 -14.071 6.358 -47.275 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -16.203 5.393 -48.026 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -15.473 4.882 -49.535 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -15.075 4.464 -45.836 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -14.607 2.730 -49.714 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -14.434 2.322 -44.803 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -13.969 0.590 -48.680 1.00 0.00 H new ATOM 0 HH TYR B 39 -13.621 -0.532 -46.806 1.00 0.00 H new ATOM 758 N LEU B 40 -12.890 5.287 -50.177 1.00 0.00 N ATOM 759 CA LEU B 40 -11.711 4.710 -50.812 1.00 0.00 C ATOM 760 C LEU B 40 -10.598 5.742 -50.947 1.00 0.00 C ATOM 761 O LEU B 40 -9.429 5.443 -50.704 1.00 0.00 O ATOM 762 CB LEU B 40 -12.072 4.155 -52.195 1.00 0.00 C ATOM 763 CG LEU B 40 -12.977 2.916 -52.198 1.00 0.00 C ATOM 764 CD1 LEU B 40 -13.371 2.577 -53.629 1.00 0.00 C ATOM 765 CD2 LEU B 40 -12.248 1.752 -51.542 1.00 0.00 C ATOM 0 H LEU B 40 -13.700 5.371 -50.791 1.00 0.00 H new ATOM 0 HA LEU B 40 -11.353 3.898 -50.178 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -12.564 4.943 -52.766 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -11.149 3.910 -52.720 1.00 0.00 H new ATOM 0 HG LEU B 40 -13.885 3.118 -51.630 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -14.014 1.697 -53.631 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -13.907 3.419 -54.068 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -12.475 2.373 -54.214 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -12.891 0.872 -51.544 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -11.335 1.536 -52.097 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -11.995 2.014 -50.515 1.00 0.00 H new ATOM 777 N PRO B 41 -10.968 6.957 -51.337 1.00 0.00 N ATOM 778 CA PRO B 41 -10.010 8.050 -51.451 1.00 0.00 C ATOM 779 C PRO B 41 -9.192 8.200 -50.176 1.00 0.00 C ATOM 780 O PRO B 41 -7.992 8.472 -50.225 1.00 0.00 O ATOM 781 CB PRO B 41 -10.906 9.268 -51.696 1.00 0.00 C ATOM 782 CG PRO B 41 -12.084 8.718 -52.424 1.00 0.00 C ATOM 783 CD PRO B 41 -12.359 7.400 -51.749 1.00 0.00 C ATOM 0 HA PRO B 41 -9.274 7.900 -52.241 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -11.202 9.739 -50.759 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.393 10.027 -52.286 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -12.942 9.387 -52.354 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -11.869 8.584 -53.484 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -13.022 7.512 -50.891 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.830 6.687 -52.425 1.00 0.00 H new ATOM 791 N THR B 42 -9.847 8.023 -49.034 1.00 0.00 N ATOM 792 CA THR B 42 -9.168 8.078 -47.744 1.00 0.00 C ATOM 793 C THR B 42 -8.192 6.919 -47.587 1.00 0.00 C ATOM 794 O THR B 42 -7.058 7.106 -47.147 1.00 0.00 O ATOM 795 CB THR B 42 -10.180 8.063 -46.584 1.00 0.00 C ATOM 796 OG1 THR B 42 -11.031 9.213 -46.674 1.00 0.00 O ATOM 797 CG2 THR B 42 -9.458 8.075 -45.246 1.00 0.00 C ATOM 0 H THR B 42 -10.849 7.840 -48.975 1.00 0.00 H new ATOM 0 HA THR B 42 -8.610 9.014 -47.712 1.00 0.00 H new ATOM 0 HB THR B 42 -10.777 7.154 -46.655 1.00 0.00 H new ATOM 0 HG1 THR B 42 -11.918 8.940 -46.990 1.00 0.00 H new ATOM 0 HG21 THR B 42 -10.189 8.064 -44.438 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.819 7.195 -45.169 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.847 8.974 -45.170 1.00 0.00 H new ATOM 805 N LEU B 43 -8.640 5.721 -47.948 1.00 0.00 N ATOM 806 CA LEU B 43 -7.787 4.540 -47.904 1.00 0.00 C ATOM 807 C LEU B 43 -6.604 4.677 -48.855 1.00 0.00 C ATOM 808 O LEU B 43 -5.511 4.183 -48.577 1.00 0.00 O ATOM 809 CB LEU B 43 -8.597 3.287 -48.264 1.00 0.00 C ATOM 810 CG LEU B 43 -9.687 2.890 -47.261 1.00 0.00 C ATOM 811 CD1 LEU B 43 -10.467 1.700 -47.803 1.00 0.00 C ATOM 812 CD2 LEU B 43 -9.049 2.560 -45.920 1.00 0.00 C ATOM 0 H LEU B 43 -9.590 5.543 -48.274 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.402 4.444 -46.889 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.064 3.445 -49.236 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -7.907 2.450 -48.374 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.380 3.719 -47.117 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.242 1.418 -47.090 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.929 1.970 -48.753 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -9.790 0.860 -47.954 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -9.824 2.278 -45.208 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.351 1.732 -46.043 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -8.514 3.433 -45.547 1.00 0.00 H new ATOM 824 N ARG B 44 -6.830 5.351 -49.978 1.00 0.00 N ATOM 825 CA ARG B 44 -5.767 5.613 -50.940 1.00 0.00 C ATOM 826 C ARG B 44 -4.691 6.510 -50.343 1.00 0.00 C ATOM 827 O ARG B 44 -3.498 6.274 -50.529 1.00 0.00 O ATOM 828 CB ARG B 44 -6.329 6.267 -52.194 1.00 0.00 C ATOM 829 CG ARG B 44 -7.196 5.360 -53.054 1.00 0.00 C ATOM 830 CD ARG B 44 -7.797 6.096 -54.195 1.00 0.00 C ATOM 831 NE ARG B 44 -8.760 5.282 -54.920 1.00 0.00 N ATOM 832 CZ ARG B 44 -9.666 5.762 -55.793 1.00 0.00 C ATOM 833 NH1 ARG B 44 -9.722 7.053 -56.038 1.00 0.00 N ATOM 834 NH2 ARG B 44 -10.499 4.938 -56.402 1.00 0.00 N ATOM 0 H ARG B 44 -7.741 5.726 -50.244 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.319 4.654 -51.201 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.917 7.137 -51.901 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.499 6.633 -52.799 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.595 4.532 -53.431 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.988 4.927 -52.443 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.288 6.997 -53.827 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -7.008 6.417 -54.875 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.748 4.275 -54.755 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.079 7.690 -55.567 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -10.408 7.417 -56.699 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -10.457 3.937 -56.211 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -11.185 5.303 -57.063 1.00 0.00 H new ATOM 848 N LYS B 45 -5.121 7.542 -49.624 1.00 0.00 N ATOM 849 CA LYS B 45 -4.199 8.411 -48.903 1.00 0.00 C ATOM 850 C LYS B 45 -3.423 7.635 -47.846 1.00 0.00 C ATOM 851 O LYS B 45 -2.231 7.865 -47.642 1.00 0.00 O ATOM 852 CB LYS B 45 -4.953 9.573 -48.254 1.00 0.00 C ATOM 853 CG LYS B 45 -5.496 10.599 -49.240 1.00 0.00 C ATOM 854 CD LYS B 45 -6.283 11.688 -48.526 1.00 0.00 C ATOM 855 CE LYS B 45 -6.854 12.696 -49.513 1.00 0.00 C ATOM 856 NZ LYS B 45 -7.663 13.743 -48.833 1.00 0.00 N ATOM 0 H LYS B 45 -6.104 7.797 -49.525 1.00 0.00 H new ATOM 0 HA LYS B 45 -3.486 8.811 -49.624 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -5.783 9.172 -47.672 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -4.287 10.077 -47.554 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -4.671 11.047 -49.794 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -6.137 10.103 -49.969 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -7.094 11.238 -47.953 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -5.636 12.200 -47.814 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -6.039 13.167 -50.063 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -7.473 12.177 -50.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -8.034 14.409 -49.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -8.456 13.297 -48.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -7.066 14.256 -48.153 1.00 0.00 H new ATOM 870 N GLU B 46 -4.107 6.713 -47.176 1.00 0.00 N ATOM 871 CA GLU B 46 -3.462 5.836 -46.205 1.00 0.00 C ATOM 872 C GLU B 46 -2.386 4.984 -46.864 1.00 0.00 C ATOM 873 O GLU B 46 -1.328 4.745 -46.282 1.00 0.00 O ATOM 874 CB GLU B 46 -4.495 4.951 -45.523 1.00 0.00 C ATOM 0 H GLU B 46 -5.108 6.554 -47.288 1.00 0.00 H new ATOM 0 HA GLU B 46 -2.982 6.461 -45.452 1.00 0.00 H new ATOM 879 N LEU B 47 -2.661 4.527 -48.080 1.00 0.00 N ATOM 880 CA LEU B 47 -1.699 3.735 -48.838 1.00 0.00 C ATOM 881 C LEU B 47 -0.489 4.572 -49.234 1.00 0.00 C ATOM 882 O LEU B 47 0.642 4.087 -49.225 1.00 0.00 O ATOM 883 CB LEU B 47 -2.361 3.157 -50.095 1.00 0.00 C ATOM 884 CG LEU B 47 -3.393 2.049 -49.852 1.00 0.00 C ATOM 885 CD1 LEU B 47 -4.156 1.773 -51.141 1.00 0.00 C ATOM 886 CD2 LEU B 47 -2.686 0.795 -49.358 1.00 0.00 C ATOM 0 H LEU B 47 -3.544 4.692 -48.563 1.00 0.00 H new ATOM 0 HA LEU B 47 -1.360 2.919 -48.200 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.848 3.970 -50.634 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.580 2.765 -50.747 1.00 0.00 H new ATOM 0 HG LEU B 47 -4.106 2.365 -49.090 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -4.889 0.985 -50.968 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -4.667 2.680 -51.463 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -3.458 1.455 -51.916 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -3.420 0.008 -49.185 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.967 0.463 -50.107 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.164 1.015 -48.427 1.00 0.00 H new ATOM 898 N MET B 48 -0.734 5.830 -49.581 1.00 0.00 N ATOM 899 CA MET B 48 0.343 6.763 -49.892 1.00 0.00 C ATOM 900 C MET B 48 1.275 6.944 -48.701 1.00 0.00 C ATOM 901 O MET B 48 2.497 6.960 -48.854 1.00 0.00 O ATOM 902 CB MET B 48 -0.234 8.109 -50.327 1.00 0.00 C ATOM 903 CG MET B 48 -0.975 8.077 -51.656 1.00 0.00 C ATOM 904 SD MET B 48 -1.733 9.660 -52.068 1.00 0.00 S ATOM 905 CE MET B 48 -0.296 10.604 -52.568 1.00 0.00 C ATOM 0 H MET B 48 -1.670 6.228 -49.654 1.00 0.00 H new ATOM 0 HA MET B 48 0.926 6.347 -50.713 1.00 0.00 H new ATOM 0 HB2 MET B 48 -0.915 8.465 -49.554 1.00 0.00 H new ATOM 0 HB3 MET B 48 0.578 8.833 -50.395 1.00 0.00 H new ATOM 0 HG2 MET B 48 -0.281 7.794 -52.448 1.00 0.00 H new ATOM 0 HG3 MET B 48 -1.747 7.308 -51.619 1.00 0.00 H new ATOM 0 HE1 MET B 48 -0.544 11.665 -52.579 1.00 0.00 H new ATOM 0 HE2 MET B 48 0.518 10.429 -51.864 1.00 0.00 H new ATOM 0 HE3 MET B 48 0.014 10.293 -53.566 1.00 0.00 H new ATOM 915 N GLU B 49 0.693 7.081 -47.515 1.00 0.00 N ATOM 916 CA GLU B 49 1.470 7.150 -46.283 1.00 0.00 C ATOM 917 C GLU B 49 2.382 5.939 -46.138 1.00 0.00 C ATOM 918 O GLU B 49 3.567 6.075 -45.836 1.00 0.00 O ATOM 919 CB GLU B 49 0.540 7.250 -45.071 1.00 0.00 C ATOM 920 CG GLU B 49 1.260 7.322 -43.732 1.00 0.00 C ATOM 921 CD GLU B 49 0.316 7.396 -42.564 1.00 0.00 C ATOM 922 OE1 GLU B 49 -0.865 7.517 -42.786 1.00 0.00 O ATOM 923 OE2 GLU B 49 0.776 7.332 -41.448 1.00 0.00 O ATOM 0 H GLU B 49 -0.316 7.147 -47.381 1.00 0.00 H new ATOM 0 HA GLU B 49 2.092 8.043 -46.331 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -0.087 8.135 -45.181 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.125 6.387 -45.066 1.00 0.00 H new ATOM 0 HG2 GLU B 49 1.899 6.446 -43.621 1.00 0.00 H new ATOM 0 HG3 GLU B 49 1.912 8.196 -43.722 1.00 0.00 H new ATOM 930 N VAL B 50 1.822 4.754 -46.355 1.00 0.00 N ATOM 931 CA VAL B 50 2.569 3.512 -46.190 1.00 0.00 C ATOM 932 C VAL B 50 3.717 3.423 -47.187 1.00 0.00 C ATOM 933 O VAL B 50 4.797 2.930 -46.862 1.00 0.00 O ATOM 934 CB VAL B 50 1.637 2.299 -46.374 1.00 0.00 C ATOM 935 CG1 VAL B 50 2.442 1.010 -46.412 1.00 0.00 C ATOM 936 CG2 VAL B 50 0.609 2.261 -45.254 1.00 0.00 C ATOM 0 H VAL B 50 0.853 4.627 -46.646 1.00 0.00 H new ATOM 0 HA VAL B 50 2.982 3.505 -45.181 1.00 0.00 H new ATOM 0 HB VAL B 50 1.113 2.397 -47.325 1.00 0.00 H new ATOM 0 HG11 VAL B 50 1.768 0.164 -46.542 1.00 0.00 H new ATOM 0 HG12 VAL B 50 3.146 1.045 -47.244 1.00 0.00 H new ATOM 0 HG13 VAL B 50 2.991 0.896 -45.477 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -0.046 1.401 -45.391 1.00 0.00 H new ATOM 0 HG22 VAL B 50 1.119 2.179 -44.294 1.00 0.00 H new ATOM 0 HG23 VAL B 50 0.016 3.175 -45.273 1.00 0.00 H new ATOM 946 N LEU B 51 3.477 3.903 -48.402 1.00 0.00 N ATOM 947 CA LEU B 51 4.481 3.853 -49.458 1.00 0.00 C ATOM 948 C LEU B 51 5.559 4.908 -49.243 1.00 0.00 C ATOM 949 O LEU B 51 6.735 4.674 -49.523 1.00 0.00 O ATOM 950 CB LEU B 51 3.822 4.058 -50.827 1.00 0.00 C ATOM 951 CG LEU B 51 2.876 2.939 -51.284 1.00 0.00 C ATOM 952 CD1 LEU B 51 2.031 3.433 -52.450 1.00 0.00 C ATOM 953 CD2 LEU B 51 3.690 1.717 -51.679 1.00 0.00 C ATOM 0 H LEU B 51 2.594 4.332 -48.680 1.00 0.00 H new ATOM 0 HA LEU B 51 4.951 2.870 -49.427 1.00 0.00 H new ATOM 0 HB2 LEU B 51 3.264 4.994 -50.805 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.607 4.173 -51.574 1.00 0.00 H new ATOM 0 HG LEU B 51 2.208 2.659 -50.469 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.359 2.639 -52.775 1.00 0.00 H new ATOM 0 HD12 LEU B 51 1.446 4.297 -52.135 1.00 0.00 H new ATOM 0 HD13 LEU B 51 2.682 3.718 -53.276 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.019 0.922 -52.004 1.00 0.00 H new ATOM 0 HD22 LEU B 51 4.365 1.977 -52.494 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.271 1.374 -50.823 1.00 0.00 H new ATOM 965 N SER B 52 5.151 6.071 -48.745 1.00 0.00 N ATOM 966 CA SER B 52 6.094 7.117 -48.370 1.00 0.00 C ATOM 967 C SER B 52 7.089 6.616 -47.330 1.00 0.00 C ATOM 968 O SER B 52 8.253 7.013 -47.329 1.00 0.00 O ATOM 969 CB SER B 52 5.350 8.323 -47.831 1.00 0.00 C ATOM 970 OG SER B 52 6.239 9.349 -47.488 1.00 0.00 O ATOM 0 H SER B 52 4.172 6.312 -48.592 1.00 0.00 H new ATOM 0 HA SER B 52 6.649 7.404 -49.263 1.00 0.00 H new ATOM 0 HB2 SER B 52 4.644 8.684 -48.579 1.00 0.00 H new ATOM 0 HB3 SER B 52 4.767 8.034 -46.956 1.00 0.00 H new ATOM 0 HG SER B 52 7.056 9.267 -48.024 1.00 0.00 H new ATOM 976 N LYS B 53 6.621 5.741 -46.446 1.00 0.00 N ATOM 977 CA LYS B 53 7.440 5.256 -45.341 1.00 0.00 C ATOM 978 C LYS B 53 8.288 4.064 -45.767 1.00 0.00 C ATOM 979 O LYS B 53 9.345 3.805 -45.192 1.00 0.00 O ATOM 980 CB LYS B 53 6.561 4.876 -44.149 1.00 0.00 C ATOM 981 CG LYS B 53 5.895 6.059 -43.458 1.00 0.00 C ATOM 982 CD LYS B 53 4.989 5.599 -42.325 1.00 0.00 C ATOM 983 CE LYS B 53 4.342 6.780 -41.618 1.00 0.00 C ATOM 984 NZ LYS B 53 3.392 6.342 -40.558 1.00 0.00 N ATOM 0 H LYS B 53 5.678 5.353 -46.473 1.00 0.00 H new ATOM 0 HA LYS B 53 8.110 6.063 -45.043 1.00 0.00 H new ATOM 0 HB2 LYS B 53 5.788 4.186 -44.488 1.00 0.00 H new ATOM 0 HB3 LYS B 53 7.169 4.340 -43.420 1.00 0.00 H new ATOM 0 HG2 LYS B 53 6.659 6.731 -43.066 1.00 0.00 H new ATOM 0 HG3 LYS B 53 5.313 6.627 -44.184 1.00 0.00 H new ATOM 0 HD2 LYS B 53 4.215 4.941 -42.720 1.00 0.00 H new ATOM 0 HD3 LYS B 53 5.567 5.016 -41.608 1.00 0.00 H new ATOM 0 HE2 LYS B 53 5.116 7.406 -41.175 1.00 0.00 H new ATOM 0 HE3 LYS B 53 3.814 7.394 -42.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 2.432 6.659 -40.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 3.406 5.305 -40.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 3.674 6.756 -39.647 1.00 0.00 H new ATOM 998 N TYR B 54 7.817 3.340 -46.777 1.00 0.00 N ATOM 999 CA TYR B 54 8.523 2.163 -47.269 1.00 0.00 C ATOM 1000 C TYR B 54 9.625 2.549 -48.247 1.00 0.00 C ATOM 1001 O TYR B 54 10.786 2.184 -48.064 1.00 0.00 O ATOM 1002 CB TYR B 54 7.544 1.189 -47.930 1.00 0.00 C ATOM 1003 CG TYR B 54 6.718 0.392 -46.946 1.00 0.00 C ATOM 1004 CD1 TYR B 54 6.862 0.609 -45.583 1.00 0.00 C ATOM 1005 CD2 TYR B 54 5.815 -0.556 -47.405 1.00 0.00 C ATOM 1006 CE1 TYR B 54 6.107 -0.119 -44.684 1.00 0.00 C ATOM 1007 CE2 TYR B 54 5.061 -1.283 -46.506 1.00 0.00 C ATOM 1008 CZ TYR B 54 5.204 -1.069 -45.151 1.00 0.00 C ATOM 1009 OH TYR B 54 4.453 -1.794 -44.256 1.00 0.00 O ATOM 0 H TYR B 54 6.949 3.548 -47.271 1.00 0.00 H new ATOM 0 HA TYR B 54 8.987 1.670 -46.415 1.00 0.00 H new ATOM 0 HB2 TYR B 54 6.874 1.749 -48.583 1.00 0.00 H new ATOM 0 HB3 TYR B 54 8.103 0.500 -48.563 1.00 0.00 H new ATOM 0 HD1 TYR B 54 7.564 1.347 -45.225 1.00 0.00 H new ATOM 0 HD2 TYR B 54 5.702 -0.725 -48.466 1.00 0.00 H new ATOM 0 HE1 TYR B 54 6.217 0.049 -43.623 1.00 0.00 H new ATOM 0 HE2 TYR B 54 4.358 -2.021 -46.864 1.00 0.00 H new ATOM 0 HH TYR B 54 3.871 -2.414 -44.744 1.00 0.00 H new ATOM 1019 N VAL B 55 9.254 3.290 -49.285 1.00 0.00 N ATOM 1020 CA VAL B 55 10.178 3.611 -50.366 1.00 0.00 C ATOM 1021 C VAL B 55 10.907 4.921 -50.097 1.00 0.00 C ATOM 1022 O VAL B 55 11.825 5.294 -50.827 1.00 0.00 O ATOM 1023 CB VAL B 55 9.422 3.714 -51.704 1.00 0.00 C ATOM 1024 CG1 VAL B 55 10.377 4.084 -52.829 1.00 0.00 C ATOM 1025 CG2 VAL B 55 8.719 2.398 -52.003 1.00 0.00 C ATOM 0 H VAL B 55 8.319 3.680 -49.401 1.00 0.00 H new ATOM 0 HA VAL B 55 10.912 2.808 -50.422 1.00 0.00 H new ATOM 0 HB VAL B 55 8.672 4.501 -51.627 1.00 0.00 H new ATOM 0 HG11 VAL B 55 9.826 4.152 -53.767 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.842 5.045 -52.610 1.00 0.00 H new ATOM 0 HG13 VAL B 55 11.149 3.320 -52.917 1.00 0.00 H new ATOM 0 HG21 VAL B 55 8.186 2.477 -52.951 1.00 0.00 H new ATOM 0 HG22 VAL B 55 9.456 1.598 -52.067 1.00 0.00 H new ATOM 0 HG23 VAL B 55 8.010 2.175 -51.206 1.00 0.00 H new ATOM 1035 N ASN B 56 10.492 5.617 -49.044 1.00 0.00 N ATOM 1036 CA ASN B 56 11.141 6.860 -48.643 1.00 0.00 C ATOM 1037 C ASN B 56 10.978 7.936 -49.709 1.00 0.00 C ATOM 1038 O ASN B 56 11.858 8.775 -49.897 1.00 0.00 O ATOM 1039 CB ASN B 56 12.610 6.624 -48.343 1.00 0.00 C ATOM 1040 CG ASN B 56 12.820 5.676 -47.194 1.00 0.00 C ATOM 1041 OD1 ASN B 56 12.101 5.731 -46.190 1.00 0.00 O ATOM 1042 ND2 ASN B 56 13.791 4.809 -47.322 1.00 0.00 N ATOM 0 H ASN B 56 9.708 5.341 -48.452 1.00 0.00 H new ATOM 0 HA ASN B 56 10.654 7.213 -47.734 1.00 0.00 H new ATOM 0 HB2 ASN B 56 13.099 6.226 -49.232 1.00 0.00 H new ATOM 0 HB3 ASN B 56 13.088 7.577 -48.115 1.00 0.00 H new ATOM 0 HD21 ASN B 56 13.980 4.141 -46.575 1.00 0.00 H new ATOM 0 HD22 ASN B 56 14.359 4.801 -48.169 1.00 0.00 H new ATOM 1049 N VAL B 57 9.847 7.905 -50.406 1.00 0.00 N ATOM 1050 CA VAL B 57 9.459 9.000 -51.286 1.00 0.00 C ATOM 1051 C VAL B 57 8.360 9.848 -50.658 1.00 0.00 C ATOM 1052 O VAL B 57 7.761 9.462 -49.654 1.00 0.00 O ATOM 1053 CB VAL B 57 8.969 8.451 -52.639 1.00 0.00 C ATOM 1054 CG1 VAL B 57 10.089 7.701 -53.346 1.00 0.00 C ATOM 1055 CG2 VAL B 57 7.765 7.547 -52.426 1.00 0.00 C ATOM 0 H VAL B 57 9.182 7.132 -50.378 1.00 0.00 H new ATOM 0 HA VAL B 57 10.337 9.626 -51.442 1.00 0.00 H new ATOM 0 HB VAL B 57 8.669 9.286 -53.272 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.726 7.320 -54.300 1.00 0.00 H new ATOM 0 HG12 VAL B 57 10.926 8.377 -53.520 1.00 0.00 H new ATOM 0 HG13 VAL B 57 10.418 6.868 -52.724 1.00 0.00 H new ATOM 0 HG21 VAL B 57 7.424 7.163 -53.387 1.00 0.00 H new ATOM 0 HG22 VAL B 57 8.045 6.714 -51.781 1.00 0.00 H new ATOM 0 HG23 VAL B 57 6.962 8.115 -51.957 1.00 0.00 H new ATOM 1065 N SER B 58 8.099 11.005 -51.255 1.00 0.00 N ATOM 1066 CA SER B 58 7.043 11.892 -50.781 1.00 0.00 C ATOM 1067 C SER B 58 5.712 11.572 -51.452 1.00 0.00 C ATOM 1068 O SER B 58 5.651 10.755 -52.370 1.00 0.00 O ATOM 1069 CB SER B 58 7.416 13.337 -51.042 1.00 0.00 C ATOM 1070 OG SER B 58 7.401 13.621 -52.414 1.00 0.00 O ATOM 0 H SER B 58 8.605 11.351 -52.070 1.00 0.00 H new ATOM 0 HA SER B 58 6.932 11.737 -49.708 1.00 0.00 H new ATOM 0 HB2 SER B 58 6.719 13.995 -50.523 1.00 0.00 H new ATOM 0 HB3 SER B 58 8.407 13.539 -50.636 1.00 0.00 H new ATOM 0 HG SER B 58 7.644 14.560 -52.556 1.00 0.00 H new ATOM 1076 N LEU B 59 4.650 12.223 -50.989 1.00 0.00 N ATOM 1077 CA LEU B 59 3.312 11.973 -51.510 1.00 0.00 C ATOM 1078 C LEU B 59 3.226 12.309 -52.993 1.00 0.00 C ATOM 1079 O LEU B 59 2.507 11.655 -53.747 1.00 0.00 O ATOM 1080 CB LEU B 59 2.278 12.796 -50.732 1.00 0.00 C ATOM 1081 CG LEU B 59 2.118 12.434 -49.250 1.00 0.00 C ATOM 1082 CD1 LEU B 59 1.159 13.414 -48.588 1.00 0.00 C ATOM 1083 CD2 LEU B 59 1.609 11.005 -49.129 1.00 0.00 C ATOM 0 H LEU B 59 4.691 12.928 -50.253 1.00 0.00 H new ATOM 0 HA LEU B 59 3.098 10.912 -51.386 1.00 0.00 H new ATOM 0 HB2 LEU B 59 2.551 13.849 -50.802 1.00 0.00 H new ATOM 0 HB3 LEU B 59 1.310 12.685 -51.221 1.00 0.00 H new ATOM 0 HG LEU B 59 3.081 12.501 -48.744 1.00 0.00 H new ATOM 0 HD11 LEU B 59 1.045 13.157 -47.535 1.00 0.00 H new ATOM 0 HD12 LEU B 59 1.556 14.426 -48.674 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.188 13.362 -49.081 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.495 10.747 -48.076 1.00 0.00 H new ATOM 0 HD22 LEU B 59 0.645 10.919 -49.630 1.00 0.00 H new ATOM 0 HD23 LEU B 59 2.322 10.324 -49.594 1.00 0.00 H new ATOM 1095 N ASP B 60 3.964 13.334 -53.406 1.00 0.00 N ATOM 1096 CA ASP B 60 3.916 13.806 -54.784 1.00 0.00 C ATOM 1097 C ASP B 60 4.584 12.815 -55.729 1.00 0.00 C ATOM 1098 O ASP B 60 4.463 12.928 -56.949 1.00 0.00 O ATOM 1099 CB ASP B 60 4.595 15.173 -54.907 1.00 0.00 C ATOM 1100 CG ASP B 60 3.800 16.290 -54.243 1.00 0.00 C ATOM 1101 OD1 ASP B 60 2.634 16.096 -53.992 1.00 0.00 O ATOM 1102 OD2 ASP B 60 4.367 17.327 -53.993 1.00 0.00 O ATOM 0 H ASP B 60 4.603 13.854 -52.805 1.00 0.00 H new ATOM 0 HA ASP B 60 2.867 13.900 -55.065 1.00 0.00 H new ATOM 0 HB2 ASP B 60 5.587 15.123 -54.457 1.00 0.00 H new ATOM 0 HB3 ASP B 60 4.735 15.410 -55.962 1.00 0.00 H new ATOM 1107 N ASN B 61 5.289 11.844 -55.159 1.00 0.00 N ATOM 1108 CA ASN B 61 5.969 10.825 -55.950 1.00 0.00 C ATOM 1109 C ASN B 61 5.131 9.557 -56.052 1.00 0.00 C ATOM 1110 O ASN B 61 5.603 8.526 -56.530 1.00 0.00 O ATOM 1111 CB ASN B 61 7.334 10.517 -55.363 1.00 0.00 C ATOM 1112 CG ASN B 61 8.331 11.615 -55.608 1.00 0.00 C ATOM 1113 OD1 ASN B 61 8.917 11.706 -56.693 1.00 0.00 O ATOM 1114 ND2 ASN B 61 8.532 12.451 -54.622 1.00 0.00 N ATOM 0 H ASN B 61 5.405 11.741 -54.151 1.00 0.00 H new ATOM 0 HA ASN B 61 6.106 11.218 -56.957 1.00 0.00 H new ATOM 0 HB2 ASN B 61 7.235 10.354 -54.290 1.00 0.00 H new ATOM 0 HB3 ASN B 61 7.709 9.588 -55.793 1.00 0.00 H new ATOM 0 HD21 ASN B 61 9.196 13.218 -54.731 1.00 0.00 H new ATOM 0 HD22 ASN B 61 8.025 12.336 -53.744 1.00 0.00 H new ATOM 1121 N ILE B 62 3.884 9.640 -55.601 1.00 0.00 N ATOM 1122 CA ILE B 62 2.973 8.503 -55.652 1.00 0.00 C ATOM 1123 C ILE B 62 1.745 8.818 -56.495 1.00 0.00 C ATOM 1124 O ILE B 62 1.136 9.879 -56.351 1.00 0.00 O ATOM 1125 CB ILE B 62 2.533 8.089 -54.236 1.00 0.00 C ATOM 1126 CG1 ILE B 62 3.752 7.742 -53.377 1.00 0.00 C ATOM 1127 CG2 ILE B 62 1.572 6.911 -54.301 1.00 0.00 C ATOM 1128 CD1 ILE B 62 3.443 7.615 -51.903 1.00 0.00 C ATOM 0 H ILE B 62 3.481 10.485 -55.195 1.00 0.00 H new ATOM 0 HA ILE B 62 3.512 7.676 -56.114 1.00 0.00 H new ATOM 0 HB ILE B 62 2.015 8.930 -53.775 1.00 0.00 H new ATOM 0 HG12 ILE B 62 4.179 6.804 -53.731 1.00 0.00 H new ATOM 0 HG13 ILE B 62 4.512 8.511 -53.514 1.00 0.00 H new ATOM 0 HG21 ILE B 62 1.271 6.631 -53.292 1.00 0.00 H new ATOM 0 HG22 ILE B 62 0.691 7.192 -54.878 1.00 0.00 H new ATOM 0 HG23 ILE B 62 2.065 6.065 -54.780 1.00 0.00 H new ATOM 0 HD11 ILE B 62 4.355 7.368 -51.360 1.00 0.00 H new ATOM 0 HD12 ILE B 62 3.044 8.559 -51.532 1.00 0.00 H new ATOM 0 HD13 ILE B 62 2.706 6.826 -51.752 1.00 0.00 H new ATOM 1140 N ARG B 63 1.383 7.891 -57.375 1.00 0.00 N ATOM 1141 CA ARG B 63 0.181 8.032 -58.187 1.00 0.00 C ATOM 1142 C ARG B 63 -0.768 6.859 -57.975 1.00 0.00 C ATOM 1143 O ARG B 63 -0.379 5.700 -58.114 1.00 0.00 O ATOM 1144 CB ARG B 63 0.539 8.128 -59.663 1.00 0.00 C ATOM 1145 CG ARG B 63 1.358 9.352 -60.043 1.00 0.00 C ATOM 1146 CD ARG B 63 0.563 10.602 -59.932 1.00 0.00 C ATOM 1147 NE ARG B 63 1.336 11.773 -60.314 1.00 0.00 N ATOM 1148 CZ ARG B 63 2.125 12.475 -59.477 1.00 0.00 C ATOM 1149 NH1 ARG B 63 2.234 12.113 -58.218 1.00 0.00 N ATOM 1150 NH2 ARG B 63 2.788 13.527 -59.922 1.00 0.00 N ATOM 0 H ARG B 63 1.906 7.032 -57.544 1.00 0.00 H new ATOM 0 HA ARG B 63 -0.318 8.949 -57.875 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.095 7.234 -59.946 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -0.382 8.129 -60.246 1.00 0.00 H new ATOM 0 HG2 ARG B 63 2.233 9.419 -59.397 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.723 9.243 -61.064 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -0.320 10.528 -60.566 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.211 10.718 -58.907 1.00 0.00 H new ATOM 0 HE ARG B 63 1.277 12.085 -61.283 1.00 0.00 H new ATOM 0 HH11 ARG B 63 1.721 11.301 -57.875 1.00 0.00 H new ATOM 0 HH12 ARG B 63 2.831 12.644 -57.584 1.00 0.00 H new ATOM 0 HH21 ARG B 63 2.703 13.808 -60.899 1.00 0.00 H new ATOM 0 HH22 ARG B 63 3.385 14.059 -59.289 1.00 0.00 H new ATOM 1164 N ILE B 64 -2.016 7.169 -57.636 1.00 0.00 N ATOM 1165 CA ILE B 64 -3.032 6.143 -57.438 1.00 0.00 C ATOM 1166 C ILE B 64 -4.267 6.418 -58.286 1.00 0.00 C ATOM 1167 O ILE B 64 -4.782 7.537 -58.303 1.00 0.00 O ATOM 1168 CB ILE B 64 -3.437 6.050 -55.955 1.00 0.00 C ATOM 1169 CG1 ILE B 64 -2.216 5.735 -55.087 1.00 0.00 C ATOM 1170 CG2 ILE B 64 -4.517 4.997 -55.763 1.00 0.00 C ATOM 1171 CD1 ILE B 64 -2.516 5.690 -53.606 1.00 0.00 C ATOM 0 H ILE B 64 -2.347 8.123 -57.493 1.00 0.00 H new ATOM 0 HA ILE B 64 -2.598 5.193 -57.750 1.00 0.00 H new ATOM 0 HB ILE B 64 -3.840 7.014 -55.645 1.00 0.00 H new ATOM 0 HG12 ILE B 64 -1.802 4.775 -55.394 1.00 0.00 H new ATOM 0 HG13 ILE B 64 -1.448 6.486 -55.270 1.00 0.00 H new ATOM 0 HG21 ILE B 64 -4.791 4.945 -54.709 1.00 0.00 H new ATOM 0 HG22 ILE B 64 -5.394 5.263 -56.353 1.00 0.00 H new ATOM 0 HG23 ILE B 64 -4.141 4.027 -56.089 1.00 0.00 H new ATOM 0 HD11 ILE B 64 -1.603 5.462 -53.057 1.00 0.00 H new ATOM 0 HD12 ILE B 64 -2.901 6.657 -53.283 1.00 0.00 H new ATOM 0 HD13 ILE B 64 -3.261 4.919 -53.409 1.00 0.00 H new ATOM 1183 N SER B 65 -4.737 5.394 -58.989 1.00 0.00 N ATOM 1184 CA SER B 65 -5.894 5.532 -59.865 1.00 0.00 C ATOM 1185 C SER B 65 -6.646 4.214 -59.997 1.00 0.00 C ATOM 1186 O SER B 65 -6.037 3.147 -60.075 1.00 0.00 O ATOM 1187 CB SER B 65 -5.457 6.016 -61.234 1.00 0.00 C ATOM 1188 OG SER B 65 -6.555 6.133 -62.099 1.00 0.00 O ATOM 0 H SER B 65 -4.334 4.457 -58.969 1.00 0.00 H new ATOM 0 HA SER B 65 -6.567 6.265 -59.420 1.00 0.00 H new ATOM 0 HB2 SER B 65 -4.958 6.981 -61.141 1.00 0.00 H new ATOM 0 HB3 SER B 65 -4.730 5.321 -61.655 1.00 0.00 H new ATOM 0 HG SER B 65 -6.249 6.448 -62.975 1.00 0.00 H new ATOM 1194 N GLN B 66 -7.972 4.295 -60.022 1.00 0.00 N ATOM 1195 CA GLN B 66 -8.809 3.111 -60.176 1.00 0.00 C ATOM 1196 C GLN B 66 -9.538 3.122 -61.513 1.00 0.00 C ATOM 1197 O GLN B 66 -10.093 4.143 -61.921 1.00 0.00 O ATOM 1198 CB GLN B 66 -9.820 3.017 -59.030 1.00 0.00 C ATOM 1199 CG GLN B 66 -10.696 1.776 -59.074 1.00 0.00 C ATOM 1200 CD GLN B 66 -11.602 1.665 -57.862 1.00 0.00 C ATOM 1201 OE1 GLN B 66 -11.299 2.200 -56.792 1.00 0.00 O ATOM 1202 NE2 GLN B 66 -12.720 0.966 -58.022 1.00 0.00 N ATOM 0 H GLN B 66 -8.491 5.169 -59.937 1.00 0.00 H new ATOM 0 HA GLN B 66 -8.158 2.237 -60.149 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -9.281 3.035 -58.083 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -10.459 3.900 -59.050 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -11.304 1.796 -59.978 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -10.064 0.890 -59.134 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -12.931 0.541 -58.925 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -13.368 0.855 -57.242 1.00 0.00 H new ATOM 1211 N GLU B 67 -9.533 1.981 -62.193 1.00 0.00 N ATOM 1212 CA GLU B 67 -10.064 1.894 -63.548 1.00 0.00 C ATOM 1213 C GLU B 67 -10.972 0.680 -63.707 1.00 0.00 C ATOM 1214 O GLU B 67 -10.777 -0.343 -63.052 1.00 0.00 O ATOM 1215 CB GLU B 67 -8.924 1.826 -64.566 1.00 0.00 C ATOM 1216 CG GLU B 67 -8.049 3.071 -64.614 1.00 0.00 C ATOM 1217 CD GLU B 67 -6.986 2.999 -65.675 1.00 0.00 C ATOM 1218 OE1 GLU B 67 -6.881 1.980 -66.315 1.00 0.00 O ATOM 1219 OE2 GLU B 67 -6.280 3.964 -65.846 1.00 0.00 O ATOM 0 H GLU B 67 -9.166 1.102 -61.827 1.00 0.00 H new ATOM 0 HA GLU B 67 -10.654 2.792 -63.732 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -8.297 0.965 -64.334 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -9.347 1.655 -65.556 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -8.677 3.943 -64.795 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -7.576 3.214 -63.642 1.00 0.00 H new ATOM 1226 N LYS B 68 -11.965 0.802 -64.581 1.00 0.00 N ATOM 1227 CA LYS B 68 -12.858 -0.311 -64.887 1.00 0.00 C ATOM 1228 C LYS B 68 -12.512 -0.940 -66.231 1.00 0.00 C ATOM 1229 O LYS B 68 -12.603 -0.291 -67.273 1.00 0.00 O ATOM 1230 CB LYS B 68 -14.314 0.155 -64.882 1.00 0.00 C ATOM 1231 CG LYS B 68 -15.335 -0.974 -64.954 1.00 0.00 C ATOM 1232 CD LYS B 68 -16.753 -0.431 -65.051 1.00 0.00 C ATOM 1233 CE LYS B 68 -17.131 0.356 -63.805 1.00 0.00 C ATOM 1234 NZ LYS B 68 -17.222 -0.515 -62.602 1.00 0.00 N ATOM 0 H LYS B 68 -12.172 1.661 -65.091 1.00 0.00 H new ATOM 0 HA LYS B 68 -12.727 -1.068 -64.114 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -14.494 0.735 -63.977 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -14.471 0.826 -65.727 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -15.124 -1.603 -65.819 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -15.245 -1.606 -64.070 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -16.840 0.210 -65.928 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -17.452 -1.256 -65.188 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -16.391 1.138 -63.632 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -18.088 0.853 -63.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -17.861 -0.080 -61.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -17.592 -1.448 -62.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -16.277 -0.627 -62.182 1.00 0.00 H new ATOM 1248 N GLN B 69 -12.117 -2.207 -66.200 1.00 0.00 N ATOM 1249 CA GLN B 69 -11.680 -2.903 -67.406 1.00 0.00 C ATOM 1250 C GLN B 69 -12.179 -4.342 -67.422 1.00 0.00 C ATOM 1251 O GLN B 69 -11.974 -5.091 -66.466 1.00 0.00 O ATOM 1252 CB GLN B 69 -10.154 -2.877 -67.516 1.00 0.00 C ATOM 1253 CG GLN B 69 -9.605 -3.611 -68.728 1.00 0.00 C ATOM 1254 CD GLN B 69 -9.920 -2.895 -70.029 1.00 0.00 C ATOM 1255 OE1 GLN B 69 -9.635 -1.705 -70.184 1.00 0.00 O ATOM 1256 NE2 GLN B 69 -10.512 -3.619 -70.972 1.00 0.00 N ATOM 0 H GLN B 69 -12.090 -2.774 -65.353 1.00 0.00 H new ATOM 0 HA GLN B 69 -12.107 -2.383 -68.264 1.00 0.00 H new ATOM 0 HB2 GLN B 69 -9.821 -1.840 -67.552 1.00 0.00 H new ATOM 0 HB3 GLN B 69 -9.728 -3.318 -66.615 1.00 0.00 H new ATOM 0 HG2 GLN B 69 -8.525 -3.717 -68.627 1.00 0.00 H new ATOM 0 HG3 GLN B 69 -10.022 -4.617 -68.760 1.00 0.00 H new ATOM 0 HE21 GLN B 69 -10.729 -4.601 -70.800 1.00 0.00 H new ATOM 0 HE22 GLN B 69 -10.749 -3.193 -71.868 1.00 0.00 H new ATOM 1265 N ASP B 70 -12.834 -4.724 -68.513 1.00 0.00 N ATOM 1266 CA ASP B 70 -13.385 -6.067 -68.645 1.00 0.00 C ATOM 1267 C ASP B 70 -14.429 -6.344 -67.570 1.00 0.00 C ATOM 1268 O ASP B 70 -14.684 -7.496 -67.221 1.00 0.00 O ATOM 1269 CB ASP B 70 -12.271 -7.114 -68.564 1.00 0.00 C ATOM 1270 CG ASP B 70 -11.228 -6.956 -69.662 1.00 0.00 C ATOM 1271 OD1 ASP B 70 -11.536 -6.357 -70.665 1.00 0.00 O ATOM 1272 OD2 ASP B 70 -10.133 -7.434 -69.487 1.00 0.00 O ATOM 0 H ASP B 70 -12.996 -4.121 -69.320 1.00 0.00 H new ATOM 0 HA ASP B 70 -13.868 -6.131 -69.620 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -11.782 -7.042 -67.592 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -12.710 -8.110 -68.627 1.00 0.00 H new ATOM 1277 N GLY B 71 -15.029 -5.279 -67.049 1.00 0.00 N ATOM 1278 CA GLY B 71 -16.113 -5.408 -66.082 1.00 0.00 C ATOM 1279 C GLY B 71 -15.581 -5.403 -64.655 1.00 0.00 C ATOM 1280 O GLY B 71 -16.347 -5.306 -63.696 1.00 0.00 O ATOM 0 H GLY B 71 -14.783 -4.317 -67.280 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -16.820 -4.588 -66.212 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -16.660 -6.333 -66.266 1.00 0.00 H new ATOM 1284 N MET B 72 -14.264 -5.509 -64.520 1.00 0.00 N ATOM 1285 CA MET B 72 -13.630 -5.564 -63.208 1.00 0.00 C ATOM 1286 C MET B 72 -13.036 -4.215 -62.826 1.00 0.00 C ATOM 1287 O MET B 72 -12.598 -3.452 -63.687 1.00 0.00 O ATOM 1288 CB MET B 72 -12.552 -6.646 -63.187 1.00 0.00 C ATOM 1289 CG MET B 72 -13.047 -8.036 -63.559 1.00 0.00 C ATOM 1290 SD MET B 72 -14.256 -8.681 -62.386 1.00 0.00 S ATOM 1291 CE MET B 72 -13.220 -8.964 -60.954 1.00 0.00 C ATOM 0 H MET B 72 -13.614 -5.559 -65.304 1.00 0.00 H new ATOM 0 HA MET B 72 -14.395 -5.813 -62.473 1.00 0.00 H new ATOM 0 HB2 MET B 72 -11.756 -6.361 -63.875 1.00 0.00 H new ATOM 0 HB3 MET B 72 -12.113 -6.685 -62.190 1.00 0.00 H new ATOM 0 HG2 MET B 72 -13.492 -8.005 -64.553 1.00 0.00 H new ATOM 0 HG3 MET B 72 -12.198 -8.718 -63.611 1.00 0.00 H new ATOM 0 HE1 MET B 72 -13.767 -9.556 -60.220 1.00 0.00 H new ATOM 0 HE2 MET B 72 -12.321 -9.502 -61.256 1.00 0.00 H new ATOM 0 HE3 MET B 72 -12.940 -8.007 -60.513 1.00 0.00 H new ATOM 1301 N ASP B 73 -13.024 -3.924 -61.529 1.00 0.00 N ATOM 1302 CA ASP B 73 -12.430 -2.692 -61.025 1.00 0.00 C ATOM 1303 C ASP B 73 -11.031 -2.941 -60.475 1.00 0.00 C ATOM 1304 O ASP B 73 -10.848 -3.735 -59.553 1.00 0.00 O ATOM 1305 CB ASP B 73 -13.312 -2.078 -59.935 1.00 0.00 C ATOM 1306 CG ASP B 73 -14.625 -1.529 -60.475 1.00 0.00 C ATOM 1307 OD1 ASP B 73 -14.720 -1.331 -61.663 1.00 0.00 O ATOM 1308 OD2 ASP B 73 -15.520 -1.311 -59.694 1.00 0.00 O ATOM 0 H ASP B 73 -13.420 -4.526 -60.807 1.00 0.00 H new ATOM 0 HA ASP B 73 -12.355 -1.995 -61.860 1.00 0.00 H new ATOM 0 HB2 ASP B 73 -13.524 -2.833 -59.178 1.00 0.00 H new ATOM 0 HB3 ASP B 73 -12.764 -1.276 -59.441 1.00 0.00 H new ATOM 1313 N VAL B 74 -10.046 -2.256 -61.046 1.00 0.00 N ATOM 1314 CA VAL B 74 -8.652 -2.459 -60.669 1.00 0.00 C ATOM 1315 C VAL B 74 -8.035 -1.175 -60.128 1.00 0.00 C ATOM 1316 O VAL B 74 -7.879 -0.195 -60.856 1.00 0.00 O ATOM 1317 CB VAL B 74 -7.837 -2.946 -61.881 1.00 0.00 C ATOM 1318 CG1 VAL B 74 -6.376 -3.136 -61.498 1.00 0.00 C ATOM 1319 CG2 VAL B 74 -8.426 -4.242 -62.416 1.00 0.00 C ATOM 0 H VAL B 74 -10.188 -1.554 -61.773 1.00 0.00 H new ATOM 0 HA VAL B 74 -8.627 -3.215 -59.884 1.00 0.00 H new ATOM 0 HB VAL B 74 -7.886 -2.191 -62.666 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -5.814 -3.480 -62.366 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -5.964 -2.188 -61.152 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -6.302 -3.876 -60.701 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -7.844 -4.580 -63.273 1.00 0.00 H new ATOM 0 HG22 VAL B 74 -8.399 -5.003 -61.636 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -9.458 -4.073 -62.722 1.00 0.00 H new ATOM 1329 N LEU B 75 -7.687 -1.187 -58.846 1.00 0.00 N ATOM 1330 CA LEU B 75 -6.914 -0.102 -58.252 1.00 0.00 C ATOM 1331 C LEU B 75 -5.435 -0.231 -58.588 1.00 0.00 C ATOM 1332 O LEU B 75 -4.850 -1.307 -58.462 1.00 0.00 O ATOM 1333 CB LEU B 75 -7.100 -0.092 -56.729 1.00 0.00 C ATOM 1334 CG LEU B 75 -6.409 1.056 -55.983 1.00 0.00 C ATOM 1335 CD1 LEU B 75 -7.044 2.380 -56.388 1.00 0.00 C ATOM 1336 CD2 LEU B 75 -6.527 0.830 -54.483 1.00 0.00 C ATOM 0 H LEU B 75 -7.928 -1.937 -58.198 1.00 0.00 H new ATOM 0 HA LEU B 75 -7.280 0.837 -58.668 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -8.167 -0.052 -56.512 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -6.729 -1.036 -56.330 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.351 1.087 -56.244 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.553 3.196 -55.858 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.930 2.525 -57.462 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -8.104 2.368 -56.134 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -6.036 1.646 -53.952 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -7.580 0.796 -54.202 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -6.050 -0.114 -54.219 1.00 0.00 H new ATOM 1348 N GLU B 76 -4.833 0.873 -59.018 1.00 0.00 N ATOM 1349 CA GLU B 76 -3.439 0.869 -59.446 1.00 0.00 C ATOM 1350 C GLU B 76 -2.625 1.905 -58.681 1.00 0.00 C ATOM 1351 O GLU B 76 -3.039 3.056 -58.545 1.00 0.00 O ATOM 1352 CB GLU B 76 -3.342 1.139 -60.949 1.00 0.00 C ATOM 1353 CG GLU B 76 -1.921 1.147 -61.495 1.00 0.00 C ATOM 1354 CD GLU B 76 -1.864 1.427 -62.971 1.00 0.00 C ATOM 1355 OE1 GLU B 76 -2.513 0.732 -63.715 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -1.169 2.338 -63.356 1.00 0.00 O ATOM 0 H GLU B 76 -5.290 1.783 -59.079 1.00 0.00 H new ATOM 0 HA GLU B 76 -3.028 -0.117 -59.232 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -3.918 0.381 -61.480 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -3.806 2.101 -61.164 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -1.337 1.899 -60.965 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -1.455 0.182 -61.295 1.00 0.00 H new ATOM 1363 N LEU B 77 -1.466 1.488 -58.182 1.00 0.00 N ATOM 1364 CA LEU B 77 -0.549 2.401 -57.512 1.00 0.00 C ATOM 1365 C LEU B 77 0.809 2.422 -58.202 1.00 0.00 C ATOM 1366 O LEU B 77 1.331 1.381 -58.600 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.375 1.994 -56.043 1.00 0.00 C ATOM 1368 CG LEU B 77 -1.646 2.049 -55.184 1.00 0.00 C ATOM 1369 CD1 LEU B 77 -2.383 0.720 -55.282 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -1.271 2.361 -53.743 1.00 0.00 C ATOM 0 H LEU B 77 -1.140 0.523 -58.229 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.977 3.402 -57.563 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.020 0.979 -56.010 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.375 2.643 -55.591 1.00 0.00 H new ATOM 0 HG LEU B 77 -2.307 2.836 -55.546 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.286 0.759 -54.672 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.655 0.530 -56.320 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -1.737 -0.082 -54.924 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.173 2.400 -53.133 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.609 1.583 -53.363 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.762 3.324 -53.700 1.00 0.00 H new ATOM 1382 N ASN B 78 1.378 3.616 -58.342 1.00 0.00 N ATOM 1383 CA ASN B 78 2.703 3.769 -58.930 1.00 0.00 C ATOM 1384 C ASN B 78 3.612 4.598 -58.032 1.00 0.00 C ATOM 1385 O ASN B 78 3.233 5.676 -57.575 1.00 0.00 O ATOM 1386 CB ASN B 78 2.605 4.390 -60.311 1.00 0.00 C ATOM 1387 CG ASN B 78 1.872 3.514 -61.289 1.00 0.00 C ATOM 1388 OD1 ASN B 78 2.386 2.473 -61.714 1.00 0.00 O ATOM 1389 ND2 ASN B 78 0.681 3.916 -61.653 1.00 0.00 N ATOM 0 H ASN B 78 0.941 4.492 -58.056 1.00 0.00 H new ATOM 0 HA ASN B 78 3.144 2.777 -59.027 1.00 0.00 H new ATOM 0 HB2 ASN B 78 2.096 5.351 -60.238 1.00 0.00 H new ATOM 0 HB3 ASN B 78 3.608 4.588 -60.688 1.00 0.00 H new ATOM 0 HD21 ASN B 78 0.136 3.363 -62.314 1.00 0.00 H new ATOM 0 HD22 ASN B 78 0.298 4.783 -61.275 1.00 0.00 H new ATOM 1396 N ILE B 79 4.813 4.088 -57.783 1.00 0.00 N ATOM 1397 CA ILE B 79 5.774 4.774 -56.926 1.00 0.00 C ATOM 1398 C ILE B 79 7.084 5.028 -57.660 1.00 0.00 C ATOM 1399 O ILE B 79 7.809 4.093 -57.998 1.00 0.00 O ATOM 1400 CB ILE B 79 6.050 3.959 -55.649 1.00 0.00 C ATOM 1401 CG1 ILE B 79 4.740 3.650 -54.919 1.00 0.00 C ATOM 1402 CG2 ILE B 79 7.008 4.708 -54.736 1.00 0.00 C ATOM 1403 CD1 ILE B 79 4.106 2.341 -55.332 1.00 0.00 C ATOM 0 H ILE B 79 5.145 3.201 -58.163 1.00 0.00 H new ATOM 0 HA ILE B 79 5.336 5.733 -56.650 1.00 0.00 H new ATOM 0 HB ILE B 79 6.516 3.016 -55.934 1.00 0.00 H new ATOM 0 HG12 ILE B 79 4.929 3.629 -53.846 1.00 0.00 H new ATOM 0 HG13 ILE B 79 4.033 4.459 -55.102 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.192 4.117 -53.838 1.00 0.00 H new ATOM 0 HG22 ILE B 79 7.950 4.878 -55.258 1.00 0.00 H new ATOM 0 HG23 ILE B 79 6.570 5.666 -54.456 1.00 0.00 H new ATOM 0 HD11 ILE B 79 3.183 2.191 -54.772 1.00 0.00 H new ATOM 0 HD12 ILE B 79 3.884 2.365 -56.399 1.00 0.00 H new ATOM 0 HD13 ILE B 79 4.794 1.522 -55.123 1.00 0.00 H new ATOM 1415 N THR B 80 7.381 6.299 -57.905 1.00 0.00 N ATOM 1416 CA THR B 80 8.557 6.676 -58.680 1.00 0.00 C ATOM 1417 C THR B 80 9.761 6.911 -57.776 1.00 0.00 C ATOM 1418 O THR B 80 9.739 7.788 -56.913 1.00 0.00 O ATOM 1419 CB THR B 80 8.287 7.937 -59.521 1.00 0.00 C ATOM 1420 OG1 THR B 80 7.213 7.684 -60.436 1.00 0.00 O ATOM 1421 CG2 THR B 80 9.530 8.334 -60.301 1.00 0.00 C ATOM 0 H THR B 80 6.822 7.087 -57.577 1.00 0.00 H new ATOM 0 HA THR B 80 8.780 5.847 -59.351 1.00 0.00 H new ATOM 0 HB THR B 80 8.017 8.752 -58.850 1.00 0.00 H new ATOM 0 HG1 THR B 80 7.041 8.488 -60.969 1.00 0.00 H new ATOM 0 HG21 THR B 80 9.320 9.227 -60.890 1.00 0.00 H new ATOM 0 HG22 THR B 80 10.345 8.540 -59.607 1.00 0.00 H new ATOM 0 HG23 THR B 80 9.817 7.520 -60.967 1.00 0.00 H new ATOM 1429 N LEU B 81 10.811 6.123 -57.981 1.00 0.00 N ATOM 1430 CA LEU B 81 12.042 6.272 -57.213 1.00 0.00 C ATOM 1431 C LEU B 81 13.235 6.513 -58.128 1.00 0.00 C ATOM 1432 O LEU B 81 13.879 7.519 -58.022 1.00 0.00 O ATOM 1433 CB LEU B 81 12.287 5.022 -56.358 1.00 0.00 C ATOM 1434 CG LEU B 81 13.578 5.027 -55.529 1.00 0.00 C ATOM 1435 CD1 LEU B 81 13.492 6.110 -54.462 1.00 0.00 C ATOM 1436 CD2 LEU B 81 13.784 3.656 -54.901 1.00 0.00 C ATOM 0 H LEU B 81 10.834 5.374 -58.673 1.00 0.00 H new ATOM 0 HA LEU B 81 11.929 7.139 -56.562 1.00 0.00 H new ATOM 0 HB2 LEU B 81 11.442 4.896 -55.681 1.00 0.00 H new ATOM 0 HB3 LEU B 81 12.302 4.152 -57.015 1.00 0.00 H new ATOM 0 HG LEU B 81 14.432 5.243 -56.171 1.00 0.00 H new ATOM 0 HD11 LEU B 81 14.409 6.114 -53.873 1.00 0.00 H new ATOM 0 HD12 LEU B 81 13.363 7.081 -54.939 1.00 0.00 H new ATOM 0 HD13 LEU B 81 12.642 5.911 -53.809 1.00 0.00 H new ATOM 0 HD21 LEU B 81 14.701 3.660 -54.312 1.00 0.00 H new ATOM 0 HD22 LEU B 81 12.939 3.421 -54.254 1.00 0.00 H new ATOM 0 HD23 LEU B 81 13.860 2.904 -55.686 1.00 0.00 H new