USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-5.5!) USER MOD Set 2.1: A 29 MET CE :methyl 160:sc= -0.475 (180deg=-1.04) USER MOD Set 2.2: A 70 SER OG : rot 67:sc= 1.19 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -161:sc= 0.0567 (180deg=0) USER MOD Set 3.2: A 45 ASN : amide:sc= -2.89! K(o=-2.8!,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= -3.95! (180deg=-3.95!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.584 K(o=0.58,f=-0.0034) USER MOD Single : A 8 CYS SG : rot 85:sc= 0.847 USER MOD Single : A -1 SER OG : rot 180:sc=-0.00156 USER MOD Single : A -5 GLY N :NH3+ 130:sc= 0.0184 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.55! K(o=-1.6!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= 1.31 (180deg=-0.546) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -112:sc= -1.81 (180deg=-5.81!) USER MOD Single : A 28 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.83) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 49 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.0454 K(o=0.045,f=-0.63) USER MOD Single : A 55 MET CE :methyl 163:sc= -0.157 (180deg=-0.669) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -155:sc= -5.94! (180deg=-10.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.13) USER MOD Single : A 65 ASN : amide:sc= -0.373 K(o=-0.37,f=-0.99) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 68 TYR OH : rot -140:sc= -1.6! USER MOD Single : A 73 ASN : amide:sc= -0.0756 K(o=-0.076,f=-1!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.016 USER MOD Single : A 96 SER OG : rot 180:sc= 0.143 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 13.079 -10.413 -12.456 1.00 0.00 N ATOM 2 CA GLY A -5 12.201 -11.439 -13.071 1.00 0.00 C ATOM 3 C GLY A -5 10.788 -11.383 -12.521 1.00 0.00 C ATOM 4 O GLY A -5 10.587 -11.071 -11.348 1.00 0.00 O ATOM 0 H1 GLY A -5 13.957 -10.861 -12.125 1.00 0.00 H new ATOM 0 H2 GLY A -5 13.307 -9.683 -13.161 1.00 0.00 H new ATOM 0 H3 GLY A -5 12.589 -9.975 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A -5 12.175 -11.294 -14.151 1.00 0.00 H new ATOM 0 HA3 GLY A -5 12.620 -12.429 -12.892 1.00 0.00 H new ATOM 10 N PRO A -4 9.777 -11.668 -13.352 1.00 0.00 N ATOM 11 CA PRO A -4 8.383 -11.627 -12.933 1.00 0.00 C ATOM 12 C PRO A -4 7.914 -12.934 -12.289 1.00 0.00 C ATOM 13 O PRO A -4 7.149 -13.697 -12.882 1.00 0.00 O ATOM 14 CB PRO A -4 7.644 -11.371 -14.247 1.00 0.00 C ATOM 15 CG PRO A -4 8.491 -12.010 -15.298 1.00 0.00 C ATOM 16 CD PRO A -4 9.911 -12.024 -14.776 1.00 0.00 C ATOM 0 HA PRO A -4 8.206 -10.873 -12.166 1.00 0.00 H new ATOM 0 HB2 PRO A -4 6.644 -11.805 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A -4 7.525 -10.303 -14.431 1.00 0.00 H new ATOM 0 HG2 PRO A -4 8.147 -13.023 -15.507 1.00 0.00 H new ATOM 0 HG3 PRO A -4 8.430 -11.454 -16.233 1.00 0.00 H new ATOM 0 HD2 PRO A -4 10.371 -13.004 -14.900 1.00 0.00 H new ATOM 0 HD3 PRO A -4 10.538 -11.308 -15.308 1.00 0.00 H new ATOM 24 N LEU A -3 8.363 -13.187 -11.066 1.00 0.00 N ATOM 25 CA LEU A -3 7.966 -14.394 -10.352 1.00 0.00 C ATOM 26 C LEU A -3 7.423 -14.044 -8.966 1.00 0.00 C ATOM 27 O LEU A -3 8.068 -14.278 -7.943 1.00 0.00 O ATOM 28 CB LEU A -3 9.124 -15.405 -10.248 1.00 0.00 C ATOM 29 CG LEU A -3 10.403 -14.920 -9.549 1.00 0.00 C ATOM 30 CD1 LEU A -3 11.149 -16.101 -8.948 1.00 0.00 C ATOM 31 CD2 LEU A -3 11.313 -14.180 -10.521 1.00 0.00 C ATOM 0 H LEU A -3 8.998 -12.577 -10.551 1.00 0.00 H new ATOM 0 HA LEU A -3 7.172 -14.870 -10.927 1.00 0.00 H new ATOM 0 HB2 LEU A -3 8.760 -16.286 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A -3 9.388 -15.725 -11.256 1.00 0.00 H new ATOM 0 HG LEU A -3 10.113 -14.231 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A -3 12.054 -15.747 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A -3 10.511 -16.602 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A -3 11.417 -16.802 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A -3 12.210 -13.848 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A -3 11.593 -14.847 -11.336 1.00 0.00 H new ATOM 0 HD23 LEU A -3 10.787 -13.315 -10.925 1.00 0.00 H new ATOM 43 N GLY A -2 6.233 -13.462 -8.944 1.00 0.00 N ATOM 44 CA GLY A -2 5.610 -13.075 -7.692 1.00 0.00 C ATOM 45 C GLY A -2 5.780 -11.600 -7.386 1.00 0.00 C ATOM 46 O GLY A -2 5.869 -11.211 -6.225 1.00 0.00 O ATOM 0 H GLY A -2 5.683 -13.249 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.547 -13.314 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A -2 6.039 -13.662 -6.880 1.00 0.00 H new ATOM 50 N SER A -1 5.814 -10.783 -8.429 1.00 0.00 N ATOM 51 CA SER A -1 5.960 -9.342 -8.267 1.00 0.00 C ATOM 52 C SER A -1 5.427 -8.617 -9.502 1.00 0.00 C ATOM 53 O SER A -1 5.061 -9.254 -10.492 1.00 0.00 O ATOM 54 CB SER A -1 7.423 -8.985 -8.025 1.00 0.00 C ATOM 55 OG SER A -1 7.551 -7.671 -7.511 1.00 0.00 O ATOM 0 H SER A -1 5.742 -11.093 -9.398 1.00 0.00 H new ATOM 0 HA SER A -1 5.379 -9.023 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.863 -9.696 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A -1 7.980 -9.069 -8.958 1.00 0.00 H new ATOM 0 HG SER A -1 8.498 -7.468 -7.364 1.00 0.00 H new ATOM 61 N MET A 1 5.389 -7.285 -9.455 1.00 0.00 N ATOM 62 CA MET A 1 4.898 -6.506 -10.576 1.00 0.00 C ATOM 63 C MET A 1 5.937 -6.406 -11.674 1.00 0.00 C ATOM 64 O MET A 1 7.076 -6.864 -11.530 1.00 0.00 O ATOM 65 CB MET A 1 4.479 -5.095 -10.142 1.00 0.00 C ATOM 66 CG MET A 1 5.630 -4.200 -9.713 1.00 0.00 C ATOM 67 SD MET A 1 6.328 -4.677 -8.124 1.00 0.00 S ATOM 68 CE MET A 1 4.958 -4.278 -7.046 1.00 0.00 C ATOM 0 H MET A 1 5.692 -6.731 -8.654 1.00 0.00 H new ATOM 0 HA MET A 1 4.023 -7.029 -10.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.951 -4.616 -10.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.772 -5.177 -9.316 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.411 -4.231 -10.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.281 -3.169 -9.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.225 -4.514 -6.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.729 -3.215 -7.127 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.084 -4.861 -7.337 1.00 0.00 H new ATOM 78 N ASP A 2 5.522 -5.795 -12.757 1.00 0.00 N ATOM 79 CA ASP A 2 6.380 -5.597 -13.915 1.00 0.00 C ATOM 80 C ASP A 2 7.467 -4.581 -13.603 1.00 0.00 C ATOM 81 O ASP A 2 7.199 -3.530 -13.025 1.00 0.00 O ATOM 82 CB ASP A 2 5.545 -5.171 -15.133 1.00 0.00 C ATOM 83 CG ASP A 2 6.382 -4.966 -16.381 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.028 -3.910 -16.496 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.407 -5.862 -17.247 1.00 0.00 O ATOM 0 H ASP A 2 4.581 -5.418 -12.867 1.00 0.00 H new ATOM 0 HA ASP A 2 6.868 -6.541 -14.158 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.787 -5.929 -15.331 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.017 -4.246 -14.900 1.00 0.00 H new ATOM 90 N ALA A 3 8.699 -4.926 -13.955 1.00 0.00 N ATOM 91 CA ALA A 3 9.855 -4.077 -13.693 1.00 0.00 C ATOM 92 C ALA A 3 9.753 -2.732 -14.393 1.00 0.00 C ATOM 93 O ALA A 3 10.062 -1.704 -13.806 1.00 0.00 O ATOM 94 CB ALA A 3 11.133 -4.782 -14.116 1.00 0.00 C ATOM 0 H ALA A 3 8.925 -5.800 -14.429 1.00 0.00 H new ATOM 0 HA ALA A 3 9.877 -3.889 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.988 -4.137 -13.915 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.239 -5.711 -13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.090 -5.005 -15.182 1.00 0.00 H new ATOM 100 N LYS A 4 9.311 -2.732 -15.641 1.00 0.00 N ATOM 101 CA LYS A 4 9.170 -1.491 -16.388 1.00 0.00 C ATOM 102 C LYS A 4 8.075 -0.631 -15.753 1.00 0.00 C ATOM 103 O LYS A 4 8.192 0.593 -15.696 1.00 0.00 O ATOM 104 CB LYS A 4 8.853 -1.778 -17.860 1.00 0.00 C ATOM 105 CG LYS A 4 8.904 -0.551 -18.761 1.00 0.00 C ATOM 106 CD LYS A 4 10.314 0.013 -18.875 1.00 0.00 C ATOM 107 CE LYS A 4 10.374 1.191 -19.840 1.00 0.00 C ATOM 108 NZ LYS A 4 11.749 1.747 -19.946 1.00 0.00 N ATOM 0 H LYS A 4 9.045 -3.572 -16.156 1.00 0.00 H new ATOM 0 HA LYS A 4 10.113 -0.945 -16.351 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.559 -2.519 -18.234 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.860 -2.222 -17.926 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.537 -0.814 -19.753 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.237 0.216 -18.367 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.659 0.331 -17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.993 -0.770 -19.214 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.034 0.872 -20.825 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.691 1.971 -19.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.750 2.546 -20.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.064 2.075 -19.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.396 1.009 -20.290 1.00 0.00 H new ATOM 122 N ALA A 5 7.035 -1.286 -15.240 1.00 0.00 N ATOM 123 CA ALA A 5 5.941 -0.593 -14.568 1.00 0.00 C ATOM 124 C ALA A 5 6.415 -0.044 -13.229 1.00 0.00 C ATOM 125 O ALA A 5 6.305 1.149 -12.950 1.00 0.00 O ATOM 126 CB ALA A 5 4.807 -1.573 -14.348 1.00 0.00 C ATOM 0 H ALA A 5 6.928 -2.300 -15.278 1.00 0.00 H new ATOM 0 HA ALA A 5 5.600 0.239 -15.184 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.982 -1.068 -13.846 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.466 -1.957 -15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.156 -2.400 -13.730 1.00 0.00 H new ATOM 132 N ARG A 6 6.944 -0.940 -12.407 1.00 0.00 N ATOM 133 CA ARG A 6 7.438 -0.587 -11.081 1.00 0.00 C ATOM 134 C ARG A 6 8.533 0.483 -11.149 1.00 0.00 C ATOM 135 O ARG A 6 8.590 1.381 -10.309 1.00 0.00 O ATOM 136 CB ARG A 6 7.947 -1.854 -10.391 1.00 0.00 C ATOM 137 CG ARG A 6 8.139 -1.728 -8.884 1.00 0.00 C ATOM 138 CD ARG A 6 9.408 -0.982 -8.545 1.00 0.00 C ATOM 139 NE ARG A 6 10.594 -1.708 -9.009 1.00 0.00 N ATOM 140 CZ ARG A 6 11.828 -1.223 -8.978 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.042 0.007 -8.555 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.849 -1.968 -9.376 1.00 0.00 N ATOM 0 H ARG A 6 7.043 -1.928 -12.638 1.00 0.00 H new ATOM 0 HA ARG A 6 6.621 -0.158 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.245 -2.665 -10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.898 -2.139 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.284 -1.209 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.170 -2.721 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.383 0.008 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.468 -0.834 -7.467 1.00 0.00 H new ATOM 0 HE ARG A 6 10.461 -2.649 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.259 0.586 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.991 0.380 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.688 -2.919 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.796 -1.591 -9.350 1.00 0.00 H new ATOM 156 N ASN A 7 9.392 0.391 -12.142 1.00 0.00 N ATOM 157 CA ASN A 7 10.471 1.348 -12.300 1.00 0.00 C ATOM 158 C ASN A 7 9.943 2.690 -12.738 1.00 0.00 C ATOM 159 O ASN A 7 10.262 3.674 -12.121 1.00 0.00 O ATOM 160 CB ASN A 7 11.535 0.844 -13.278 1.00 0.00 C ATOM 161 CG ASN A 7 12.616 0.012 -12.604 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.387 0.518 -11.788 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.677 -1.270 -12.932 1.00 0.00 N ATOM 0 H ASN A 7 9.365 -0.338 -12.855 1.00 0.00 H new ATOM 0 HA ASN A 7 10.945 1.465 -11.325 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.055 0.246 -14.053 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.997 1.697 -13.774 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.380 -1.873 -12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.021 -1.654 -13.612 1.00 0.00 H new ATOM 170 N CYS A 8 9.119 2.734 -13.774 1.00 0.00 N ATOM 171 CA CYS A 8 8.546 4.005 -14.235 1.00 0.00 C ATOM 172 C CYS A 8 7.844 4.719 -13.089 1.00 0.00 C ATOM 173 O CYS A 8 7.736 5.942 -13.067 1.00 0.00 O ATOM 174 CB CYS A 8 7.572 3.753 -15.385 1.00 0.00 C ATOM 175 SG CYS A 8 8.364 3.204 -16.918 1.00 0.00 S ATOM 0 H CYS A 8 8.830 1.917 -14.312 1.00 0.00 H new ATOM 0 HA CYS A 8 9.353 4.644 -14.593 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.846 3.001 -15.074 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.016 4.669 -15.584 1.00 0.00 H new ATOM 0 HG CYS A 8 8.542 1.917 -16.878 1.00 0.00 H new ATOM 181 N LEU A 9 7.412 3.940 -12.126 1.00 0.00 N ATOM 182 CA LEU A 9 6.756 4.459 -10.952 1.00 0.00 C ATOM 183 C LEU A 9 7.742 5.236 -10.091 1.00 0.00 C ATOM 184 O LEU A 9 7.515 6.404 -9.773 1.00 0.00 O ATOM 185 CB LEU A 9 6.159 3.287 -10.157 1.00 0.00 C ATOM 186 CG LEU A 9 6.113 3.450 -8.638 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.044 4.450 -8.227 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.877 2.102 -7.972 1.00 0.00 C ATOM 0 H LEU A 9 7.507 2.924 -12.136 1.00 0.00 H new ATOM 0 HA LEU A 9 5.960 5.141 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.143 3.115 -10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.734 2.390 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 9 7.075 3.839 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.034 4.546 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.261 5.420 -8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.069 4.102 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.846 2.231 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.929 1.688 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.687 1.420 -8.233 1.00 0.00 H new ATOM 200 N LEU A 10 8.832 4.576 -9.713 1.00 0.00 N ATOM 201 CA LEU A 10 9.850 5.203 -8.861 1.00 0.00 C ATOM 202 C LEU A 10 10.823 6.075 -9.673 1.00 0.00 C ATOM 203 O LEU A 10 11.465 6.977 -9.139 1.00 0.00 O ATOM 204 CB LEU A 10 10.634 4.116 -8.112 1.00 0.00 C ATOM 205 CG LEU A 10 9.979 3.597 -6.834 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.618 2.288 -6.406 1.00 0.00 C ATOM 207 CD2 LEU A 10 10.112 4.620 -5.720 1.00 0.00 C ATOM 0 H LEU A 10 9.037 3.613 -9.978 1.00 0.00 H new ATOM 0 HA LEU A 10 9.336 5.852 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.790 3.275 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.619 4.510 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 10 8.922 3.426 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.140 1.931 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.493 1.547 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.681 2.445 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.640 4.236 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.167 4.811 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.624 5.548 -6.018 1.00 0.00 H new ATOM 219 N GLN A 11 10.940 5.775 -10.962 1.00 0.00 N ATOM 220 CA GLN A 11 11.841 6.488 -11.874 1.00 0.00 C ATOM 221 C GLN A 11 11.382 7.918 -12.063 1.00 0.00 C ATOM 222 O GLN A 11 12.185 8.813 -12.315 1.00 0.00 O ATOM 223 CB GLN A 11 11.896 5.777 -13.229 1.00 0.00 C ATOM 224 CG GLN A 11 13.037 6.213 -14.129 1.00 0.00 C ATOM 225 CD GLN A 11 13.093 5.402 -15.416 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.027 5.524 -16.200 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.081 4.575 -15.648 1.00 0.00 N ATOM 0 H GLN A 11 10.411 5.027 -11.411 1.00 0.00 H new ATOM 0 HA GLN A 11 12.839 6.494 -11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.977 4.704 -13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.954 5.947 -13.751 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.923 7.270 -14.371 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.981 6.108 -13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.320 4.499 -14.973 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.065 4.016 -16.501 1.00 0.00 H new ATOM 236 N HIS A 12 10.088 8.138 -11.909 1.00 0.00 N ATOM 237 CA HIS A 12 9.539 9.470 -12.024 1.00 0.00 C ATOM 238 C HIS A 12 9.533 10.118 -10.657 1.00 0.00 C ATOM 239 O HIS A 12 8.586 10.791 -10.279 1.00 0.00 O ATOM 240 CB HIS A 12 8.140 9.450 -12.662 1.00 0.00 C ATOM 241 CG HIS A 12 8.179 9.194 -14.133 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.891 9.980 -15.007 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.596 8.235 -14.882 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.744 9.516 -16.231 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.964 8.455 -16.184 1.00 0.00 N ATOM 0 H HIS A 12 9.402 7.411 -11.705 1.00 0.00 H new ATOM 0 HA HIS A 12 10.165 10.064 -12.690 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.537 8.681 -12.180 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.647 10.405 -12.477 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.958 7.441 -14.522 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.188 9.934 -17.122 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.681 7.890 -16.985 1.00 0.00 H new ATOM 254 N ARG A 13 10.632 9.905 -9.932 1.00 0.00 N ATOM 255 CA ARG A 13 10.825 10.464 -8.593 1.00 0.00 C ATOM 256 C ARG A 13 10.651 11.976 -8.600 1.00 0.00 C ATOM 257 O ARG A 13 10.331 12.574 -7.574 1.00 0.00 O ATOM 258 CB ARG A 13 12.199 10.095 -8.020 1.00 0.00 C ATOM 259 CG ARG A 13 13.379 10.535 -8.871 1.00 0.00 C ATOM 260 CD ARG A 13 13.784 9.450 -9.846 1.00 0.00 C ATOM 261 NE ARG A 13 14.787 9.914 -10.800 1.00 0.00 N ATOM 262 CZ ARG A 13 15.399 9.121 -11.676 1.00 0.00 C ATOM 263 NH1 ARG A 13 15.257 7.812 -11.596 1.00 0.00 N ATOM 264 NH2 ARG A 13 16.187 9.632 -12.599 1.00 0.00 N ATOM 0 H ARG A 13 11.415 9.339 -10.258 1.00 0.00 H new ATOM 0 HA ARG A 13 10.060 10.027 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.296 10.540 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.245 9.014 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.119 11.441 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.223 10.783 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.177 8.596 -9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.904 9.102 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 13 15.033 10.904 -10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.677 7.406 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.727 7.206 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.331 10.641 -12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.653 9.019 -13.268 1.00 0.00 H new ATOM 278 N GLU A 14 10.828 12.586 -9.768 1.00 0.00 N ATOM 279 CA GLU A 14 10.646 14.023 -9.908 1.00 0.00 C ATOM 280 C GLU A 14 9.223 14.386 -9.509 1.00 0.00 C ATOM 281 O GLU A 14 8.959 15.481 -9.015 1.00 0.00 O ATOM 282 CB GLU A 14 10.911 14.468 -11.352 1.00 0.00 C ATOM 283 CG GLU A 14 10.619 15.944 -11.610 1.00 0.00 C ATOM 284 CD GLU A 14 10.844 16.355 -13.054 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.177 15.797 -13.951 1.00 0.00 O ATOM 286 OE2 GLU A 14 11.679 17.251 -13.300 1.00 0.00 O ATOM 0 H GLU A 14 11.097 12.107 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 14 11.356 14.534 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.953 14.266 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.302 13.865 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.586 16.157 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.252 16.551 -10.963 1.00 0.00 H new ATOM 293 N ALA A 15 8.318 13.435 -9.709 1.00 0.00 N ATOM 294 CA ALA A 15 6.924 13.614 -9.366 1.00 0.00 C ATOM 295 C ALA A 15 6.476 12.575 -8.337 1.00 0.00 C ATOM 296 O ALA A 15 5.371 12.663 -7.822 1.00 0.00 O ATOM 297 CB ALA A 15 6.065 13.559 -10.623 1.00 0.00 C ATOM 0 H ALA A 15 8.535 12.524 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 15 6.799 14.596 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.017 13.695 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.370 14.351 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.192 12.592 -11.109 1.00 0.00 H new ATOM 303 N LEU A 16 7.341 11.592 -8.049 1.00 0.00 N ATOM 304 CA LEU A 16 7.025 10.530 -7.079 1.00 0.00 C ATOM 305 C LEU A 16 6.562 11.112 -5.741 1.00 0.00 C ATOM 306 O LEU A 16 5.375 11.276 -5.516 1.00 0.00 O ATOM 307 CB LEU A 16 8.239 9.635 -6.842 1.00 0.00 C ATOM 308 CG LEU A 16 7.961 8.390 -5.993 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.755 7.175 -6.875 1.00 0.00 C ATOM 310 CD2 LEU A 16 9.090 8.145 -5.004 1.00 0.00 C ATOM 0 H LEU A 16 8.265 11.509 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 16 6.214 9.939 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.634 9.319 -7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.017 10.223 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 16 7.045 8.565 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.559 6.302 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.906 7.346 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.651 7.002 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.870 7.256 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.024 7.997 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.187 9.006 -4.342 1.00 0.00 H new ATOM 322 N GLU A 17 7.500 11.410 -4.852 1.00 0.00 N ATOM 323 CA GLU A 17 7.169 11.962 -3.533 1.00 0.00 C ATOM 324 C GLU A 17 6.385 13.275 -3.655 1.00 0.00 C ATOM 325 O GLU A 17 5.648 13.659 -2.746 1.00 0.00 O ATOM 326 CB GLU A 17 8.452 12.191 -2.718 1.00 0.00 C ATOM 327 CG GLU A 17 8.205 12.673 -1.299 1.00 0.00 C ATOM 328 CD GLU A 17 9.486 12.993 -0.561 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.571 12.844 -1.153 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.411 13.393 0.620 1.00 0.00 O ATOM 0 H GLU A 17 8.499 11.281 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 17 6.537 11.239 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.018 11.260 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.074 12.921 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.574 13.561 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.655 11.908 -0.750 1.00 0.00 H new ATOM 337 N LYS A 18 6.549 13.960 -4.780 1.00 0.00 N ATOM 338 CA LYS A 18 5.858 15.226 -5.006 1.00 0.00 C ATOM 339 C LYS A 18 4.338 15.054 -5.175 1.00 0.00 C ATOM 340 O LYS A 18 3.561 15.782 -4.560 1.00 0.00 O ATOM 341 CB LYS A 18 6.431 15.935 -6.239 1.00 0.00 C ATOM 342 CG LYS A 18 7.617 16.852 -5.948 1.00 0.00 C ATOM 343 CD LYS A 18 8.885 16.079 -5.632 1.00 0.00 C ATOM 344 CE LYS A 18 10.063 17.021 -5.411 1.00 0.00 C ATOM 345 NZ LYS A 18 11.342 16.284 -5.211 1.00 0.00 N ATOM 0 H LYS A 18 7.151 13.663 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 18 6.023 15.832 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.739 15.182 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.640 16.522 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.793 17.497 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.372 17.502 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.731 15.470 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.111 15.395 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.159 17.687 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.867 17.648 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.115 16.964 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.261 15.667 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.544 15.705 -6.051 1.00 0.00 H new ATOM 359 N ASP A 19 3.915 14.123 -6.026 1.00 0.00 N ATOM 360 CA ASP A 19 2.484 13.927 -6.282 1.00 0.00 C ATOM 361 C ASP A 19 1.923 12.650 -5.657 1.00 0.00 C ATOM 362 O ASP A 19 0.717 12.557 -5.421 1.00 0.00 O ATOM 363 CB ASP A 19 2.206 13.926 -7.789 1.00 0.00 C ATOM 364 CG ASP A 19 2.271 15.315 -8.396 1.00 0.00 C ATOM 365 OD1 ASP A 19 1.459 16.183 -7.998 1.00 0.00 O ATOM 366 OD2 ASP A 19 3.126 15.551 -9.271 1.00 0.00 O ATOM 0 H ASP A 19 4.531 13.498 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 19 1.975 14.765 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.930 13.282 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.220 13.499 -7.972 1.00 0.00 H new ATOM 371 N ILE A 20 2.774 11.666 -5.391 1.00 0.00 N ATOM 372 CA ILE A 20 2.319 10.412 -4.796 1.00 0.00 C ATOM 373 C ILE A 20 1.862 10.644 -3.355 1.00 0.00 C ATOM 374 O ILE A 20 2.657 10.664 -2.414 1.00 0.00 O ATOM 375 CB ILE A 20 3.409 9.305 -4.869 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.645 8.885 -6.319 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.066 8.079 -4.030 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.521 7.663 -6.447 1.00 0.00 C ATOM 0 H ILE A 20 3.776 11.710 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 20 1.468 10.056 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 20 4.319 9.738 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.684 8.687 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.104 9.712 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.863 7.341 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.959 8.371 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.130 7.647 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.650 7.417 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.494 7.865 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.052 6.824 -5.933 1.00 0.00 H new ATOM 390 N LYS A 21 0.560 10.845 -3.216 1.00 0.00 N ATOM 391 CA LYS A 21 -0.064 11.095 -1.923 1.00 0.00 C ATOM 392 C LYS A 21 -0.254 9.766 -1.188 1.00 0.00 C ATOM 393 O LYS A 21 -0.394 8.725 -1.820 1.00 0.00 O ATOM 394 CB LYS A 21 -1.402 11.820 -2.136 1.00 0.00 C ATOM 395 CG LYS A 21 -2.045 12.349 -0.867 1.00 0.00 C ATOM 396 CD LYS A 21 -3.120 13.387 -1.180 1.00 0.00 C ATOM 397 CE LYS A 21 -4.219 12.822 -2.070 1.00 0.00 C ATOM 398 NZ LYS A 21 -5.271 13.827 -2.377 1.00 0.00 N ATOM 0 H LYS A 21 -0.096 10.840 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 21 0.573 11.733 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.244 12.653 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.097 11.135 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.486 11.523 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.282 12.794 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.557 13.748 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.662 14.246 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.780 12.463 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.674 11.962 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.150 13.570 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.957 14.766 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.442 13.848 -3.403 1.00 0.00 H new ATOM 412 N THR A 22 -0.205 9.787 0.133 1.00 0.00 N ATOM 413 CA THR A 22 -0.314 8.556 0.896 1.00 0.00 C ATOM 414 C THR A 22 -1.680 8.339 1.559 1.00 0.00 C ATOM 415 O THR A 22 -2.366 7.371 1.241 1.00 0.00 O ATOM 416 CB THR A 22 0.823 8.465 1.949 1.00 0.00 C ATOM 417 OG1 THR A 22 0.501 7.507 2.963 1.00 0.00 O ATOM 418 CG2 THR A 22 1.077 9.815 2.605 1.00 0.00 C ATOM 0 H THR A 22 -0.092 10.632 0.694 1.00 0.00 H new ATOM 0 HA THR A 22 -0.211 7.751 0.168 1.00 0.00 H new ATOM 0 HB THR A 22 1.724 8.150 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.231 7.464 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.878 9.719 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.366 10.541 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.169 10.154 3.104 1.00 0.00 H new ATOM 426 N SER A 23 -2.035 9.206 2.497 1.00 0.00 N ATOM 427 CA SER A 23 -3.280 9.105 3.272 1.00 0.00 C ATOM 428 C SER A 23 -4.501 8.548 2.504 1.00 0.00 C ATOM 429 O SER A 23 -4.893 7.397 2.709 1.00 0.00 O ATOM 430 CB SER A 23 -3.606 10.474 3.866 1.00 0.00 C ATOM 431 OG SER A 23 -2.483 11.005 4.554 1.00 0.00 O ATOM 0 H SER A 23 -1.464 10.013 2.750 1.00 0.00 H new ATOM 0 HA SER A 23 -3.089 8.365 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.908 11.157 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.450 10.387 4.550 1.00 0.00 H new ATOM 0 HG SER A 23 -2.712 11.883 4.925 1.00 0.00 H new ATOM 437 N TYR A 24 -5.135 9.369 1.672 1.00 0.00 N ATOM 438 CA TYR A 24 -6.340 8.954 0.947 1.00 0.00 C ATOM 439 C TYR A 24 -6.081 7.891 -0.113 1.00 0.00 C ATOM 440 O TYR A 24 -6.906 6.998 -0.315 1.00 0.00 O ATOM 441 CB TYR A 24 -7.004 10.170 0.315 1.00 0.00 C ATOM 442 CG TYR A 24 -7.842 10.956 1.304 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.305 11.366 2.517 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.169 11.267 1.039 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.061 12.064 3.435 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.936 11.961 1.955 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.376 12.356 3.151 1.00 0.00 C ATOM 448 OH TYR A 24 -10.133 13.039 4.076 1.00 0.00 O ATOM 0 H TYR A 24 -4.838 10.326 1.481 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.003 8.497 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.237 10.821 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.634 9.846 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.275 11.134 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.609 10.961 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.624 12.380 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.968 12.193 1.735 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.039 13.168 3.726 1.00 0.00 H new ATOM 458 N ILE A 25 -4.949 7.972 -0.789 1.00 0.00 N ATOM 459 CA ILE A 25 -4.624 6.992 -1.818 1.00 0.00 C ATOM 460 C ILE A 25 -4.553 5.592 -1.208 1.00 0.00 C ATOM 461 O ILE A 25 -5.043 4.620 -1.783 1.00 0.00 O ATOM 462 CB ILE A 25 -3.312 7.372 -2.543 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.572 8.598 -3.424 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.759 6.214 -3.369 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.391 9.022 -4.270 1.00 0.00 C ATOM 0 H ILE A 25 -4.244 8.696 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.416 6.989 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.555 7.608 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.416 8.386 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.865 9.432 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.837 6.525 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.553 5.367 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.491 5.922 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.662 9.896 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.550 9.269 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.109 8.207 -4.936 1.00 0.00 H new ATOM 477 N MET A 26 -3.990 5.514 -0.016 1.00 0.00 N ATOM 478 CA MET A 26 -3.887 4.262 0.706 1.00 0.00 C ATOM 479 C MET A 26 -5.247 3.847 1.246 1.00 0.00 C ATOM 480 O MET A 26 -5.513 2.658 1.405 1.00 0.00 O ATOM 481 CB MET A 26 -2.915 4.402 1.874 1.00 0.00 C ATOM 482 CG MET A 26 -2.838 3.162 2.753 1.00 0.00 C ATOM 483 SD MET A 26 -2.262 3.524 4.421 1.00 0.00 S ATOM 484 CE MET A 26 -3.483 4.731 4.929 1.00 0.00 C ATOM 0 H MET A 26 -3.593 6.314 0.476 1.00 0.00 H new ATOM 0 HA MET A 26 -3.522 3.503 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.921 4.624 1.485 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.215 5.253 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.823 2.698 2.806 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.168 2.436 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.009 5.707 5.033 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.271 4.789 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.913 4.433 5.885 1.00 0.00 H new ATOM 494 N ASP A 27 -6.116 4.821 1.522 1.00 0.00 N ATOM 495 CA ASP A 27 -7.439 4.507 2.059 1.00 0.00 C ATOM 496 C ASP A 27 -8.231 3.702 1.038 1.00 0.00 C ATOM 497 O ASP A 27 -8.980 2.793 1.390 1.00 0.00 O ATOM 498 CB ASP A 27 -8.192 5.785 2.469 1.00 0.00 C ATOM 499 CG ASP A 27 -9.363 5.502 3.397 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.376 4.942 2.929 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.271 5.832 4.603 1.00 0.00 O ATOM 0 H ASP A 27 -5.932 5.815 1.386 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.317 3.904 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.500 6.468 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.556 6.290 1.575 1.00 0.00 H new ATOM 506 N HIS A 28 -8.019 4.017 -0.231 1.00 0.00 N ATOM 507 CA HIS A 28 -8.680 3.308 -1.319 1.00 0.00 C ATOM 508 C HIS A 28 -8.058 1.926 -1.513 1.00 0.00 C ATOM 509 O HIS A 28 -8.746 0.966 -1.860 1.00 0.00 O ATOM 510 CB HIS A 28 -8.595 4.121 -2.613 1.00 0.00 C ATOM 511 CG HIS A 28 -9.398 5.378 -2.576 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.770 5.389 -2.551 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.010 6.673 -2.549 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.195 6.638 -2.512 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.147 7.435 -2.511 1.00 0.00 N ATOM 0 H HIS A 28 -7.392 4.762 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.731 3.178 -1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.552 4.370 -2.809 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.937 3.504 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.994 7.038 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.228 6.953 -2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.177 8.454 -2.486 1.00 0.00 H new ATOM 524 N MET A 29 -6.749 1.828 -1.274 1.00 0.00 N ATOM 525 CA MET A 29 -6.039 0.555 -1.420 1.00 0.00 C ATOM 526 C MET A 29 -6.476 -0.447 -0.353 1.00 0.00 C ATOM 527 O MET A 29 -6.572 -1.648 -0.610 1.00 0.00 O ATOM 528 CB MET A 29 -4.528 0.763 -1.337 1.00 0.00 C ATOM 529 CG MET A 29 -3.917 1.402 -2.567 1.00 0.00 C ATOM 530 SD MET A 29 -2.149 1.073 -2.680 1.00 0.00 S ATOM 531 CE MET A 29 -2.160 -0.688 -3.025 1.00 0.00 C ATOM 0 H MET A 29 -6.162 2.609 -0.980 1.00 0.00 H new ATOM 0 HA MET A 29 -6.290 0.153 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.306 1.386 -0.470 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.049 -0.201 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.415 1.024 -3.459 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.086 2.478 -2.540 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.207 -0.978 -3.466 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.313 -1.240 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.967 -0.917 -3.721 1.00 0.00 H new ATOM 541 N ILE A 30 -6.757 0.046 0.841 1.00 0.00 N ATOM 542 CA ILE A 30 -7.200 -0.813 1.929 1.00 0.00 C ATOM 543 C ILE A 30 -8.662 -1.172 1.721 1.00 0.00 C ATOM 544 O ILE A 30 -9.098 -2.266 2.063 1.00 0.00 O ATOM 545 CB ILE A 30 -7.025 -0.131 3.290 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.661 0.545 3.368 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.149 -1.129 4.423 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.455 1.342 4.635 1.00 0.00 C ATOM 0 H ILE A 30 -6.687 1.034 1.083 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.587 -1.714 1.925 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.814 0.614 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.883 -0.215 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.542 1.206 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.020 -0.616 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.134 -1.594 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.382 -1.896 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.464 1.795 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.211 2.125 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.542 0.682 5.498 1.00 0.00 H new ATOM 560 N SER A 31 -9.400 -0.246 1.105 1.00 0.00 N ATOM 561 CA SER A 31 -10.804 -0.463 0.784 1.00 0.00 C ATOM 562 C SER A 31 -10.888 -1.564 -0.271 1.00 0.00 C ATOM 563 O SER A 31 -11.888 -2.273 -0.380 1.00 0.00 O ATOM 564 CB SER A 31 -11.441 0.834 0.263 1.00 0.00 C ATOM 565 OG SER A 31 -12.827 0.669 -0.011 1.00 0.00 O ATOM 0 H SER A 31 -9.042 0.665 0.819 1.00 0.00 H new ATOM 0 HA SER A 31 -11.350 -0.764 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.308 1.626 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.927 1.153 -0.644 1.00 0.00 H new ATOM 0 HG SER A 31 -13.199 1.514 -0.339 1.00 0.00 H new ATOM 571 N ASP A 32 -9.802 -1.710 -1.028 1.00 0.00 N ATOM 572 CA ASP A 32 -9.704 -2.737 -2.053 1.00 0.00 C ATOM 573 C ASP A 32 -9.377 -4.068 -1.394 1.00 0.00 C ATOM 574 O ASP A 32 -9.692 -5.139 -1.919 1.00 0.00 O ATOM 575 CB ASP A 32 -8.607 -2.393 -3.066 1.00 0.00 C ATOM 576 CG ASP A 32 -9.049 -1.411 -4.128 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.232 -1.018 -4.131 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.207 -1.036 -4.976 1.00 0.00 O ATOM 0 H ASP A 32 -8.973 -1.122 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.657 -2.798 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.750 -1.979 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.270 -3.310 -3.549 1.00 0.00 H new ATOM 583 N GLY A 33 -8.743 -3.991 -0.226 1.00 0.00 N ATOM 584 CA GLY A 33 -8.387 -5.195 0.492 1.00 0.00 C ATOM 585 C GLY A 33 -6.997 -5.676 0.150 1.00 0.00 C ATOM 586 O GLY A 33 -6.575 -6.746 0.587 1.00 0.00 O ATOM 0 H GLY A 33 -8.472 -3.120 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.451 -5.009 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.108 -5.980 0.261 1.00 0.00 H new ATOM 590 N PHE A 34 -6.271 -4.887 -0.636 1.00 0.00 N ATOM 591 CA PHE A 34 -4.917 -5.248 -1.020 1.00 0.00 C ATOM 592 C PHE A 34 -3.958 -4.940 0.115 1.00 0.00 C ATOM 593 O PHE A 34 -3.027 -5.695 0.382 1.00 0.00 O ATOM 594 CB PHE A 34 -4.496 -4.532 -2.303 1.00 0.00 C ATOM 595 CG PHE A 34 -5.214 -5.028 -3.523 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.579 -4.885 -3.645 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.517 -5.626 -4.550 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.241 -5.331 -4.767 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.170 -6.075 -5.679 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.533 -5.926 -5.788 1.00 0.00 C ATOM 0 H PHE A 34 -6.598 -3.999 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.889 -6.319 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.680 -3.463 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.423 -4.658 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.138 -4.416 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.447 -5.745 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.312 -5.215 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.612 -6.543 -6.476 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.047 -6.275 -6.672 1.00 0.00 H new ATOM 610 N LEU A 35 -4.222 -3.856 0.820 1.00 0.00 N ATOM 611 CA LEU A 35 -3.406 -3.496 1.966 1.00 0.00 C ATOM 612 C LEU A 35 -4.098 -3.979 3.228 1.00 0.00 C ATOM 613 O LEU A 35 -5.280 -3.707 3.432 1.00 0.00 O ATOM 614 CB LEU A 35 -3.159 -1.991 2.022 1.00 0.00 C ATOM 615 CG LEU A 35 -2.477 -1.411 0.788 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.153 0.056 1.022 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.213 -2.200 0.442 1.00 0.00 C ATOM 0 H LEU A 35 -4.989 -3.213 0.622 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.431 -3.975 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.114 -1.485 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.547 -1.769 2.896 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.158 -1.490 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.666 0.467 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.074 0.605 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.487 0.149 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.744 -1.767 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.517 -2.157 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.476 -3.239 0.241 1.00 0.00 H new ATOM 629 N THR A 36 -3.373 -4.719 4.049 1.00 0.00 N ATOM 630 CA THR A 36 -3.930 -5.266 5.274 1.00 0.00 C ATOM 631 C THR A 36 -3.796 -4.276 6.429 1.00 0.00 C ATOM 632 O THR A 36 -3.232 -3.194 6.261 1.00 0.00 O ATOM 633 CB THR A 36 -3.249 -6.599 5.624 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.878 -7.277 4.420 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.189 -7.491 6.408 1.00 0.00 C ATOM 0 H THR A 36 -2.394 -4.955 3.889 1.00 0.00 H new ATOM 0 HA THR A 36 -4.992 -5.449 5.111 1.00 0.00 H new ATOM 0 HB THR A 36 -2.368 -6.385 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.442 -8.126 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.687 -8.429 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.479 -6.991 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.078 -7.696 5.812 1.00 0.00 H new ATOM 643 N ILE A 37 -4.326 -4.645 7.591 1.00 0.00 N ATOM 644 CA ILE A 37 -4.275 -3.791 8.769 1.00 0.00 C ATOM 645 C ILE A 37 -2.827 -3.430 9.108 1.00 0.00 C ATOM 646 O ILE A 37 -2.536 -2.299 9.488 1.00 0.00 O ATOM 647 CB ILE A 37 -4.941 -4.462 10.001 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.434 -4.725 9.757 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.760 -3.606 11.253 1.00 0.00 C ATOM 650 CD1 ILE A 37 -6.725 -5.976 8.954 1.00 0.00 C ATOM 0 H ILE A 37 -4.799 -5.536 7.741 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.833 -2.885 8.531 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.445 -5.420 10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.940 -4.800 10.720 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.862 -3.867 9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.235 -4.098 12.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.697 -3.479 11.456 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.219 -2.630 11.096 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.802 -6.085 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.252 -5.898 7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.331 -6.846 9.480 1.00 0.00 H new ATOM 662 N SER A 38 -1.917 -4.391 8.942 1.00 0.00 N ATOM 663 CA SER A 38 -0.499 -4.151 9.215 1.00 0.00 C ATOM 664 C SER A 38 0.054 -3.129 8.226 1.00 0.00 C ATOM 665 O SER A 38 0.770 -2.198 8.605 1.00 0.00 O ATOM 666 CB SER A 38 0.290 -5.456 9.132 1.00 0.00 C ATOM 667 OG SER A 38 -0.236 -6.429 10.024 1.00 0.00 O ATOM 0 H SER A 38 -2.134 -5.335 8.623 1.00 0.00 H new ATOM 0 HA SER A 38 -0.397 -3.755 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.259 -5.839 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.337 -5.268 9.370 1.00 0.00 H new ATOM 0 HG SER A 38 0.285 -7.256 9.951 1.00 0.00 H new ATOM 673 N GLU A 39 -0.325 -3.290 6.961 1.00 0.00 N ATOM 674 CA GLU A 39 0.079 -2.372 5.908 1.00 0.00 C ATOM 675 C GLU A 39 -0.417 -0.965 6.235 1.00 0.00 C ATOM 676 O GLU A 39 0.350 -0.004 6.207 1.00 0.00 O ATOM 677 CB GLU A 39 -0.476 -2.839 4.555 1.00 0.00 C ATOM 678 CG GLU A 39 0.508 -3.649 3.717 1.00 0.00 C ATOM 679 CD GLU A 39 0.620 -5.098 4.154 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.142 -5.519 5.045 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.461 -5.832 3.582 1.00 0.00 O ATOM 0 H GLU A 39 -0.917 -4.057 6.642 1.00 0.00 H new ATOM 0 HA GLU A 39 1.167 -2.356 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.367 -3.441 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.789 -1.965 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.198 -3.615 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.492 -3.183 3.773 1.00 0.00 H new ATOM 688 N GLU A 40 -1.701 -0.876 6.572 1.00 0.00 N ATOM 689 CA GLU A 40 -2.340 0.388 6.939 1.00 0.00 C ATOM 690 C GLU A 40 -1.657 1.032 8.149 1.00 0.00 C ATOM 691 O GLU A 40 -1.356 2.227 8.150 1.00 0.00 O ATOM 692 CB GLU A 40 -3.816 0.135 7.273 1.00 0.00 C ATOM 693 CG GLU A 40 -4.511 1.324 7.914 1.00 0.00 C ATOM 694 CD GLU A 40 -5.968 1.058 8.221 1.00 0.00 C ATOM 695 OE1 GLU A 40 -6.261 0.067 8.923 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.826 1.850 7.777 1.00 0.00 O ATOM 0 H GLU A 40 -2.330 -1.679 6.599 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.251 1.069 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.345 -0.134 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.886 -0.720 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.993 1.588 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.436 2.184 7.249 1.00 0.00 H new ATOM 703 N GLU A 41 -1.456 0.224 9.183 1.00 0.00 N ATOM 704 CA GLU A 41 -0.856 0.669 10.435 1.00 0.00 C ATOM 705 C GLU A 41 0.458 1.415 10.238 1.00 0.00 C ATOM 706 O GLU A 41 0.623 2.510 10.753 1.00 0.00 O ATOM 707 CB GLU A 41 -0.644 -0.530 11.361 1.00 0.00 C ATOM 708 CG GLU A 41 -0.097 -0.163 12.734 1.00 0.00 C ATOM 709 CD GLU A 41 -0.002 -1.354 13.664 1.00 0.00 C ATOM 710 OE1 GLU A 41 -0.391 -2.471 13.262 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.461 -1.182 14.810 1.00 0.00 O ATOM 0 H GLU A 41 -1.706 -0.765 9.176 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.551 1.376 10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.593 -1.051 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.042 -1.229 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.891 0.283 12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.738 0.594 13.185 1.00 0.00 H new ATOM 718 N LYS A 42 1.399 0.812 9.523 1.00 0.00 N ATOM 719 CA LYS A 42 2.711 1.429 9.314 1.00 0.00 C ATOM 720 C LYS A 42 2.633 2.752 8.543 1.00 0.00 C ATOM 721 O LYS A 42 3.216 3.754 8.971 1.00 0.00 O ATOM 722 CB LYS A 42 3.659 0.459 8.595 1.00 0.00 C ATOM 723 CG LYS A 42 5.135 0.759 8.838 1.00 0.00 C ATOM 724 CD LYS A 42 5.626 0.168 10.147 1.00 0.00 C ATOM 725 CE LYS A 42 5.051 0.879 11.364 1.00 0.00 C ATOM 726 NZ LYS A 42 4.762 -0.075 12.465 1.00 0.00 N ATOM 0 H LYS A 42 1.284 -0.099 9.078 1.00 0.00 H new ATOM 0 HA LYS A 42 3.104 1.656 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.444 -0.558 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.460 0.496 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.727 0.359 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.289 1.838 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.358 -0.888 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.714 0.222 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.755 1.635 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.136 1.401 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.094 0.359 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.344 -0.942 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.645 -0.310 12.961 1.00 0.00 H new ATOM 740 N VAL A 43 1.929 2.755 7.413 1.00 0.00 N ATOM 741 CA VAL A 43 1.794 3.960 6.592 1.00 0.00 C ATOM 742 C VAL A 43 1.156 5.092 7.406 1.00 0.00 C ATOM 743 O VAL A 43 1.607 6.242 7.360 1.00 0.00 O ATOM 744 CB VAL A 43 0.932 3.687 5.339 1.00 0.00 C ATOM 745 CG1 VAL A 43 0.919 4.899 4.428 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.443 2.470 4.591 1.00 0.00 C ATOM 0 H VAL A 43 1.443 1.938 7.044 1.00 0.00 H new ATOM 0 HA VAL A 43 2.794 4.256 6.274 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.089 3.487 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.307 4.688 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.504 5.752 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.937 5.129 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.822 2.296 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.473 2.641 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.401 1.598 5.244 1.00 0.00 H new ATOM 756 N ARG A 44 0.112 4.755 8.166 1.00 0.00 N ATOM 757 CA ARG A 44 -0.570 5.745 8.999 1.00 0.00 C ATOM 758 C ARG A 44 0.255 6.100 10.244 1.00 0.00 C ATOM 759 O ARG A 44 0.072 7.167 10.832 1.00 0.00 O ATOM 760 CB ARG A 44 -1.956 5.246 9.431 1.00 0.00 C ATOM 761 CG ARG A 44 -3.059 5.504 8.415 1.00 0.00 C ATOM 762 CD ARG A 44 -4.400 4.962 8.895 1.00 0.00 C ATOM 763 NE ARG A 44 -5.477 5.207 7.929 1.00 0.00 N ATOM 764 CZ ARG A 44 -6.180 6.332 7.841 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.071 7.269 8.765 1.00 0.00 N ATOM 766 NH2 ARG A 44 -7.040 6.489 6.850 1.00 0.00 N ATOM 0 H ARG A 44 -0.276 3.813 8.221 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.687 6.642 8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.900 4.175 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.225 5.726 10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.143 6.575 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.796 5.038 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.313 3.890 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.657 5.425 9.848 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.703 4.457 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.442 7.134 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.615 8.128 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.161 5.749 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.582 7.350 6.777 1.00 0.00 H new ATOM 780 N ASN A 45 1.151 5.199 10.651 1.00 0.00 N ATOM 781 CA ASN A 45 1.987 5.415 11.833 1.00 0.00 C ATOM 782 C ASN A 45 2.897 6.615 11.662 1.00 0.00 C ATOM 783 O ASN A 45 3.019 7.449 12.562 1.00 0.00 O ATOM 784 CB ASN A 45 2.852 4.189 12.119 1.00 0.00 C ATOM 785 CG ASN A 45 2.312 3.300 13.226 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.851 2.224 13.474 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.269 3.739 13.912 1.00 0.00 N ATOM 0 H ASN A 45 1.316 4.311 10.178 1.00 0.00 H new ATOM 0 HA ASN A 45 1.309 5.595 12.667 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.944 3.601 11.206 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.855 4.519 12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.888 3.179 14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.847 4.638 13.678 1.00 0.00 H new ATOM 794 N GLU A 46 3.552 6.681 10.511 1.00 0.00 N ATOM 795 CA GLU A 46 4.481 7.766 10.212 1.00 0.00 C ATOM 796 C GLU A 46 3.811 9.127 10.382 1.00 0.00 C ATOM 797 O GLU A 46 2.619 9.277 10.122 1.00 0.00 O ATOM 798 CB GLU A 46 5.046 7.594 8.810 1.00 0.00 C ATOM 799 CG GLU A 46 5.653 6.218 8.582 1.00 0.00 C ATOM 800 CD GLU A 46 6.594 5.791 9.700 1.00 0.00 C ATOM 801 OE1 GLU A 46 6.117 5.439 10.796 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.817 5.817 9.494 1.00 0.00 O ATOM 0 H GLU A 46 3.457 5.993 9.764 1.00 0.00 H new ATOM 0 HA GLU A 46 5.307 7.725 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.253 7.761 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.806 8.355 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.852 5.485 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.197 6.219 7.637 1.00 0.00 H new ATOM 809 N PRO A 47 4.556 10.126 10.876 1.00 0.00 N ATOM 810 CA PRO A 47 4.027 11.459 11.147 1.00 0.00 C ATOM 811 C PRO A 47 4.102 12.449 9.976 1.00 0.00 C ATOM 812 O PRO A 47 3.386 13.453 9.980 1.00 0.00 O ATOM 813 CB PRO A 47 4.909 11.953 12.308 1.00 0.00 C ATOM 814 CG PRO A 47 5.985 10.917 12.497 1.00 0.00 C ATOM 815 CD PRO A 47 5.959 10.037 11.280 1.00 0.00 C ATOM 0 HA PRO A 47 2.959 11.402 11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.343 12.926 12.079 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.321 12.073 13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.961 11.389 12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.805 10.333 13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.632 10.396 10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.254 9.013 11.509 1.00 0.00 H new ATOM 823 N THR A 48 4.955 12.204 8.986 1.00 0.00 N ATOM 824 CA THR A 48 5.067 13.128 7.870 1.00 0.00 C ATOM 825 C THR A 48 5.130 12.368 6.565 1.00 0.00 C ATOM 826 O THR A 48 5.364 11.158 6.571 1.00 0.00 O ATOM 827 CB THR A 48 6.323 14.007 8.002 1.00 0.00 C ATOM 828 OG1 THR A 48 7.453 13.183 8.323 1.00 0.00 O ATOM 829 CG2 THR A 48 6.138 15.071 9.077 1.00 0.00 C ATOM 0 H THR A 48 5.566 11.389 8.935 1.00 0.00 H new ATOM 0 HA THR A 48 4.185 13.769 7.881 1.00 0.00 H new ATOM 0 HB THR A 48 6.492 14.511 7.051 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.253 13.743 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.041 15.677 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.293 15.708 8.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.947 14.590 10.036 1.00 0.00 H new ATOM 837 N GLN A 49 4.956 13.080 5.449 1.00 0.00 N ATOM 838 CA GLN A 49 5.021 12.484 4.120 1.00 0.00 C ATOM 839 C GLN A 49 6.323 11.710 3.961 1.00 0.00 C ATOM 840 O GLN A 49 6.406 10.779 3.165 1.00 0.00 O ATOM 841 CB GLN A 49 4.897 13.565 3.043 1.00 0.00 C ATOM 842 CG GLN A 49 5.167 13.052 1.639 1.00 0.00 C ATOM 843 CD GLN A 49 4.398 13.799 0.581 1.00 0.00 C ATOM 844 OE1 GLN A 49 4.590 14.995 0.383 1.00 0.00 O ATOM 845 NE2 GLN A 49 3.522 13.090 -0.104 1.00 0.00 N ATOM 0 H GLN A 49 4.767 14.082 5.445 1.00 0.00 H new ATOM 0 HA GLN A 49 4.188 11.791 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.894 13.991 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.594 14.372 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.234 13.130 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.909 11.994 1.589 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.399 12.098 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.968 13.534 -0.836 1.00 0.00 H new ATOM 854 N GLN A 50 7.302 12.099 4.772 1.00 0.00 N ATOM 855 CA GLN A 50 8.617 11.478 4.831 1.00 0.00 C ATOM 856 C GLN A 50 8.514 9.976 4.645 1.00 0.00 C ATOM 857 O GLN A 50 8.698 9.454 3.545 1.00 0.00 O ATOM 858 CB GLN A 50 9.228 11.785 6.197 1.00 0.00 C ATOM 859 CG GLN A 50 10.593 11.172 6.441 1.00 0.00 C ATOM 860 CD GLN A 50 11.025 11.357 7.874 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.374 12.460 8.290 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.968 10.287 8.650 1.00 0.00 N ATOM 0 H GLN A 50 7.198 12.877 5.424 1.00 0.00 H new ATOM 0 HA GLN A 50 9.242 11.875 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.307 12.866 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.545 11.434 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.566 10.109 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.325 11.630 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.673 9.391 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.219 10.358 9.636 1.00 0.00 H new ATOM 871 N GLN A 51 8.186 9.283 5.720 1.00 0.00 N ATOM 872 CA GLN A 51 8.039 7.856 5.641 1.00 0.00 C ATOM 873 C GLN A 51 6.584 7.487 5.451 1.00 0.00 C ATOM 874 O GLN A 51 6.276 6.332 5.248 1.00 0.00 O ATOM 875 CB GLN A 51 8.682 7.143 6.837 1.00 0.00 C ATOM 876 CG GLN A 51 10.208 7.128 6.747 1.00 0.00 C ATOM 877 CD GLN A 51 10.887 6.090 7.632 1.00 0.00 C ATOM 878 OE1 GLN A 51 12.092 5.875 7.530 1.00 0.00 O ATOM 879 NE2 GLN A 51 10.144 5.455 8.516 1.00 0.00 N ATOM 0 H GLN A 51 8.020 9.685 6.643 1.00 0.00 H new ATOM 0 HA GLN A 51 8.583 7.504 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.379 7.638 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.313 6.119 6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.496 6.947 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.584 8.116 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.145 5.653 8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.568 4.765 9.137 1.00 0.00 H new ATOM 888 N ARG A 52 5.688 8.480 5.443 1.00 0.00 N ATOM 889 CA ARG A 52 4.270 8.194 5.179 1.00 0.00 C ATOM 890 C ARG A 52 4.135 7.807 3.714 1.00 0.00 C ATOM 891 O ARG A 52 3.695 6.707 3.377 1.00 0.00 O ATOM 892 CB ARG A 52 3.354 9.387 5.465 1.00 0.00 C ATOM 893 CG ARG A 52 2.788 9.426 6.873 1.00 0.00 C ATOM 894 CD ARG A 52 1.736 10.516 7.008 1.00 0.00 C ATOM 895 NE ARG A 52 1.159 10.553 8.348 1.00 0.00 N ATOM 896 CZ ARG A 52 0.142 11.326 8.696 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.423 12.119 7.810 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.321 11.302 9.931 1.00 0.00 N ATOM 0 H ARG A 52 5.908 9.462 5.611 1.00 0.00 H new ATOM 0 HA ARG A 52 3.960 7.390 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.911 10.307 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.527 9.372 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.349 8.459 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.592 9.602 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.184 11.483 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.945 10.350 6.277 1.00 0.00 H new ATOM 0 HE ARG A 52 1.564 9.946 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.078 12.140 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.206 12.713 8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.105 10.686 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.105 11.900 10.194 1.00 0.00 H new ATOM 912 N ALA A 53 4.576 8.711 2.847 1.00 0.00 N ATOM 913 CA ALA A 53 4.565 8.455 1.416 1.00 0.00 C ATOM 914 C ALA A 53 5.573 7.366 1.109 1.00 0.00 C ATOM 915 O ALA A 53 5.279 6.447 0.355 1.00 0.00 O ATOM 916 CB ALA A 53 4.884 9.715 0.632 1.00 0.00 C ATOM 0 H ALA A 53 4.944 9.625 3.111 1.00 0.00 H new ATOM 0 HA ALA A 53 3.568 8.130 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.869 9.493 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.140 10.480 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.873 10.078 0.913 1.00 0.00 H new ATOM 922 N ALA A 54 6.758 7.459 1.724 1.00 0.00 N ATOM 923 CA ALA A 54 7.793 6.455 1.515 1.00 0.00 C ATOM 924 C ALA A 54 7.313 5.063 1.902 1.00 0.00 C ATOM 925 O ALA A 54 7.707 4.098 1.275 1.00 0.00 O ATOM 926 CB ALA A 54 9.059 6.802 2.281 1.00 0.00 C ATOM 0 H ALA A 54 7.017 8.212 2.362 1.00 0.00 H new ATOM 0 HA ALA A 54 8.021 6.451 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.813 6.034 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.437 7.766 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.837 6.855 3.347 1.00 0.00 H new ATOM 932 N MET A 55 6.466 4.952 2.924 1.00 0.00 N ATOM 933 CA MET A 55 5.965 3.658 3.346 1.00 0.00 C ATOM 934 C MET A 55 4.993 3.102 2.317 1.00 0.00 C ATOM 935 O MET A 55 5.001 1.909 2.023 1.00 0.00 O ATOM 936 CB MET A 55 5.304 3.787 4.717 1.00 0.00 C ATOM 937 CG MET A 55 4.849 2.463 5.304 1.00 0.00 C ATOM 938 SD MET A 55 6.191 1.259 5.444 1.00 0.00 S ATOM 939 CE MET A 55 7.388 2.189 6.402 1.00 0.00 C ATOM 0 H MET A 55 6.118 5.741 3.468 1.00 0.00 H new ATOM 0 HA MET A 55 6.797 2.958 3.426 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.006 4.257 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.444 4.452 4.635 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.419 2.637 6.290 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.058 2.047 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.125 1.506 6.825 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.890 2.910 5.756 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.878 2.717 7.208 1.00 0.00 H new ATOM 949 N LEU A 56 4.178 3.979 1.747 1.00 0.00 N ATOM 950 CA LEU A 56 3.222 3.582 0.732 1.00 0.00 C ATOM 951 C LEU A 56 3.971 3.106 -0.517 1.00 0.00 C ATOM 952 O LEU A 56 3.729 2.012 -1.030 1.00 0.00 O ATOM 953 CB LEU A 56 2.310 4.766 0.394 1.00 0.00 C ATOM 954 CG LEU A 56 1.053 4.418 -0.398 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.107 3.585 0.448 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.368 5.681 -0.884 1.00 0.00 C ATOM 0 H LEU A 56 4.163 4.973 1.974 1.00 0.00 H new ATOM 0 HA LEU A 56 2.607 2.763 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.011 5.250 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.886 5.496 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 56 1.342 3.829 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.784 3.345 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.604 2.662 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.179 4.148 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.527 5.416 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.089 6.296 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.049 6.240 -1.526 1.00 0.00 H new ATOM 968 N ILE A 57 4.900 3.938 -0.977 1.00 0.00 N ATOM 969 CA ILE A 57 5.717 3.632 -2.155 1.00 0.00 C ATOM 970 C ILE A 57 6.638 2.431 -1.879 1.00 0.00 C ATOM 971 O ILE A 57 6.928 1.642 -2.776 1.00 0.00 O ATOM 972 CB ILE A 57 6.551 4.873 -2.571 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.686 6.130 -2.502 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.103 4.729 -3.983 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.466 7.411 -2.689 1.00 0.00 C ATOM 0 H ILE A 57 5.110 4.840 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 57 5.051 3.370 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 57 7.388 4.953 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.912 6.071 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.179 6.160 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.681 5.617 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.745 3.850 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.278 4.617 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.788 8.262 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.223 7.493 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.951 7.403 -3.665 1.00 0.00 H new ATOM 987 N LYS A 58 7.066 2.292 -0.620 1.00 0.00 N ATOM 988 CA LYS A 58 7.928 1.180 -0.202 1.00 0.00 C ATOM 989 C LYS A 58 7.187 -0.144 -0.329 1.00 0.00 C ATOM 990 O LYS A 58 7.758 -1.138 -0.766 1.00 0.00 O ATOM 991 CB LYS A 58 8.418 1.376 1.241 1.00 0.00 C ATOM 992 CG LYS A 58 9.267 0.232 1.775 1.00 0.00 C ATOM 993 CD LYS A 58 9.954 0.630 3.071 1.00 0.00 C ATOM 994 CE LYS A 58 10.662 -0.545 3.721 1.00 0.00 C ATOM 995 NZ LYS A 58 9.717 -1.477 4.390 1.00 0.00 N ATOM 0 H LYS A 58 6.828 2.939 0.132 1.00 0.00 H new ATOM 0 HA LYS A 58 8.797 1.162 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.997 2.298 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.553 1.505 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.640 -0.644 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.014 -0.049 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.675 1.423 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.216 1.037 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.229 -1.088 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.380 -0.174 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.248 -2.262 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.194 -0.968 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.047 -1.854 3.690 1.00 0.00 H new ATOM 1009 N MET A 59 5.905 -0.154 0.023 1.00 0.00 N ATOM 1010 CA MET A 59 5.115 -1.368 -0.109 1.00 0.00 C ATOM 1011 C MET A 59 5.088 -1.780 -1.569 1.00 0.00 C ATOM 1012 O MET A 59 5.336 -2.935 -1.907 1.00 0.00 O ATOM 1013 CB MET A 59 3.676 -1.163 0.346 1.00 0.00 C ATOM 1014 CG MET A 59 3.511 -0.657 1.763 1.00 0.00 C ATOM 1015 SD MET A 59 1.771 -0.405 2.178 1.00 0.00 S ATOM 1016 CE MET A 59 1.163 0.354 0.668 1.00 0.00 C ATOM 0 H MET A 59 5.400 0.651 0.395 1.00 0.00 H new ATOM 0 HA MET A 59 5.574 -2.132 0.518 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.195 -0.458 -0.332 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.144 -2.110 0.252 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.952 -1.370 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.054 0.281 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.282 0.956 0.892 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.939 0.991 0.243 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.898 -0.423 -0.049 1.00 0.00 H new ATOM 1026 N ILE A 60 4.783 -0.805 -2.431 1.00 0.00 N ATOM 1027 CA ILE A 60 4.707 -1.029 -3.873 1.00 0.00 C ATOM 1028 C ILE A 60 6.067 -1.439 -4.440 1.00 0.00 C ATOM 1029 O ILE A 60 6.155 -2.014 -5.524 1.00 0.00 O ATOM 1030 CB ILE A 60 4.203 0.230 -4.623 1.00 0.00 C ATOM 1031 CG1 ILE A 60 3.100 0.963 -3.835 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.690 -0.148 -6.006 1.00 0.00 C ATOM 1033 CD1 ILE A 60 1.969 0.080 -3.341 1.00 0.00 C ATOM 0 H ILE A 60 4.584 0.155 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 60 3.993 -1.838 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 60 5.049 0.910 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.555 1.458 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.680 1.745 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.339 0.746 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.496 -0.605 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.867 -0.856 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.244 0.687 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.481 -0.396 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.369 -0.686 -2.677 1.00 0.00 H new ATOM 1045 N LEU A 61 7.126 -1.157 -3.697 1.00 0.00 N ATOM 1046 CA LEU A 61 8.471 -1.515 -4.121 1.00 0.00 C ATOM 1047 C LEU A 61 8.685 -3.034 -4.030 1.00 0.00 C ATOM 1048 O LEU A 61 9.561 -3.585 -4.700 1.00 0.00 O ATOM 1049 CB LEU A 61 9.501 -0.756 -3.268 1.00 0.00 C ATOM 1050 CG LEU A 61 10.975 -1.087 -3.517 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.816 0.177 -3.446 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.475 -2.098 -2.496 1.00 0.00 C ATOM 0 H LEU A 61 7.080 -0.681 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 61 8.604 -1.228 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.359 0.312 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.281 -0.948 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 61 11.066 -1.521 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.862 -0.072 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.476 0.883 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.714 0.627 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.524 -2.321 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.370 -1.684 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.889 -3.014 -2.574 1.00 0.00 H new ATOM 1064 N LYS A 62 7.887 -3.723 -3.212 1.00 0.00 N ATOM 1065 CA LYS A 62 8.037 -5.168 -3.080 1.00 0.00 C ATOM 1066 C LYS A 62 6.686 -5.883 -2.906 1.00 0.00 C ATOM 1067 O LYS A 62 6.517 -6.736 -2.030 1.00 0.00 O ATOM 1068 CB LYS A 62 8.996 -5.506 -1.924 1.00 0.00 C ATOM 1069 CG LYS A 62 9.419 -6.974 -1.892 1.00 0.00 C ATOM 1070 CD LYS A 62 10.493 -7.257 -0.848 1.00 0.00 C ATOM 1071 CE LYS A 62 11.857 -6.756 -1.296 1.00 0.00 C ATOM 1072 NZ LYS A 62 12.944 -7.193 -0.373 1.00 0.00 N ATOM 0 H LYS A 62 7.146 -3.312 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 62 8.468 -5.537 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.886 -4.882 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.516 -5.254 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.547 -7.594 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.790 -7.262 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.221 -6.779 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.543 -8.329 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.066 -7.123 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.843 -5.667 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.857 -6.830 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.759 -6.822 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.975 -8.232 -0.340 1.00 0.00 H new ATOM 1086 N LYS A 63 5.731 -5.568 -3.771 1.00 0.00 N ATOM 1087 CA LYS A 63 4.429 -6.223 -3.738 1.00 0.00 C ATOM 1088 C LYS A 63 4.231 -7.031 -5.027 1.00 0.00 C ATOM 1089 O LYS A 63 4.982 -7.965 -5.305 1.00 0.00 O ATOM 1090 CB LYS A 63 3.282 -5.207 -3.545 1.00 0.00 C ATOM 1091 CG LYS A 63 3.037 -4.783 -2.099 1.00 0.00 C ATOM 1092 CD LYS A 63 2.636 -5.955 -1.218 1.00 0.00 C ATOM 1093 CE LYS A 63 2.288 -5.500 0.193 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.985 -6.639 1.107 1.00 0.00 N ATOM 0 H LYS A 63 5.832 -4.865 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 63 4.404 -6.897 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.500 -4.318 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.363 -5.638 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.940 -4.322 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.254 -4.025 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.780 -6.466 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.452 -6.677 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.119 -4.924 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.427 -4.833 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.470 -6.288 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.400 -7.339 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.874 -7.085 1.412 1.00 0.00 H new ATOM 1108 N ASP A 64 3.231 -6.659 -5.809 1.00 0.00 N ATOM 1109 CA ASP A 64 2.921 -7.328 -7.067 1.00 0.00 C ATOM 1110 C ASP A 64 2.061 -6.417 -7.910 1.00 0.00 C ATOM 1111 O ASP A 64 1.512 -5.438 -7.401 1.00 0.00 O ATOM 1112 CB ASP A 64 2.219 -8.660 -6.784 1.00 0.00 C ATOM 1113 CG ASP A 64 1.715 -9.347 -8.031 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.538 -9.702 -8.891 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.490 -9.514 -8.156 1.00 0.00 O ATOM 0 H ASP A 64 2.608 -5.882 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 64 3.837 -7.545 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.911 -9.324 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.380 -8.485 -6.110 1.00 0.00 H new ATOM 1120 N ASN A 65 1.959 -6.726 -9.196 1.00 0.00 N ATOM 1121 CA ASN A 65 1.175 -5.915 -10.112 1.00 0.00 C ATOM 1122 C ASN A 65 -0.271 -5.859 -9.678 1.00 0.00 C ATOM 1123 O ASN A 65 -0.954 -4.892 -9.961 1.00 0.00 O ATOM 1124 CB ASN A 65 1.289 -6.409 -11.560 1.00 0.00 C ATOM 1125 CG ASN A 65 1.178 -7.910 -11.697 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.160 -8.513 -11.357 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.228 -8.514 -12.225 1.00 0.00 N ATOM 0 H ASN A 65 2.410 -7.533 -9.626 1.00 0.00 H new ATOM 0 HA ASN A 65 1.586 -4.906 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.508 -5.939 -12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.245 -6.085 -11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.218 -9.524 -12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.049 -7.970 -12.491 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.727 -6.874 -8.967 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.095 -6.883 -8.490 1.00 0.00 C ATOM 1136 C ASP A 66 -2.324 -5.673 -7.578 1.00 0.00 C ATOM 1137 O ASP A 66 -3.244 -4.875 -7.795 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.384 -8.182 -7.739 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.858 -8.525 -7.692 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.660 -7.836 -8.353 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.222 -9.510 -7.012 1.00 0.00 O ATOM 0 H ASP A 66 -0.177 -7.693 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.775 -6.822 -9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.842 -8.999 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.004 -8.099 -6.721 1.00 0.00 H new ATOM 1146 N SER A 67 -1.457 -5.515 -6.576 1.00 0.00 N ATOM 1147 CA SER A 67 -1.561 -4.381 -5.661 1.00 0.00 C ATOM 1148 C SER A 67 -1.105 -3.110 -6.344 1.00 0.00 C ATOM 1149 O SER A 67 -1.542 -2.021 -6.006 1.00 0.00 O ATOM 1150 CB SER A 67 -0.696 -4.574 -4.424 1.00 0.00 C ATOM 1151 OG SER A 67 -0.504 -5.949 -4.126 1.00 0.00 O ATOM 0 H SER A 67 -0.684 -6.151 -6.380 1.00 0.00 H new ATOM 0 HA SER A 67 -2.608 -4.311 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.272 -4.097 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.163 -4.079 -3.573 1.00 0.00 H new ATOM 0 HG SER A 67 0.057 -6.035 -3.327 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.207 -3.267 -7.298 1.00 0.00 N ATOM 1158 CA TYR A 68 0.329 -2.143 -8.035 1.00 0.00 C ATOM 1159 C TYR A 68 -0.753 -1.513 -8.896 1.00 0.00 C ATOM 1160 O TYR A 68 -0.857 -0.293 -8.966 1.00 0.00 O ATOM 1161 CB TYR A 68 1.523 -2.615 -8.863 1.00 0.00 C ATOM 1162 CG TYR A 68 2.056 -1.607 -9.848 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.237 -0.271 -9.506 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.381 -2.009 -11.124 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.728 0.630 -10.425 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.871 -1.118 -12.037 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.043 0.196 -11.689 1.00 0.00 C ATOM 1168 OH TYR A 68 3.526 1.079 -12.612 1.00 0.00 O ATOM 0 H TYR A 68 0.168 -4.172 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 68 0.675 -1.372 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.328 -2.897 -8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.235 -3.515 -9.407 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.990 0.064 -8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.247 -3.043 -11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.864 1.667 -10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.123 -1.450 -13.033 1.00 0.00 H new ATOM 0 HH TYR A 68 3.128 0.888 -13.487 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.596 -2.339 -9.509 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.687 -1.811 -10.302 1.00 0.00 C ATOM 1180 C VAL A 69 -3.710 -1.191 -9.347 1.00 0.00 C ATOM 1181 O VAL A 69 -4.372 -0.216 -9.681 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.354 -2.870 -11.211 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.444 -2.230 -12.058 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.322 -3.520 -12.119 1.00 0.00 C ATOM 0 H VAL A 69 -1.542 -3.357 -9.470 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.284 -1.061 -10.982 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.798 -3.634 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.904 -2.988 -12.692 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.201 -1.793 -11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.009 -1.450 -12.682 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.810 -4.262 -12.751 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.858 -2.759 -12.746 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.558 -4.006 -11.512 1.00 0.00 H new ATOM 1194 N SER A 70 -3.782 -1.728 -8.120 1.00 0.00 N ATOM 1195 CA SER A 70 -4.666 -1.174 -7.091 1.00 0.00 C ATOM 1196 C SER A 70 -4.111 0.195 -6.672 1.00 0.00 C ATOM 1197 O SER A 70 -4.838 1.184 -6.656 1.00 0.00 O ATOM 1198 CB SER A 70 -4.772 -2.118 -5.886 1.00 0.00 C ATOM 1199 OG SER A 70 -5.532 -1.543 -4.832 1.00 0.00 O ATOM 0 H SER A 70 -3.242 -2.540 -7.820 1.00 0.00 H new ATOM 0 HA SER A 70 -5.673 -1.060 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.233 -3.055 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.773 -2.359 -5.524 1.00 0.00 H new ATOM 0 HG SER A 70 -6.467 -1.455 -5.113 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.802 0.252 -6.377 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.150 1.529 -6.024 1.00 0.00 C ATOM 1207 C PHE A 71 -2.342 2.519 -7.182 1.00 0.00 C ATOM 1208 O PHE A 71 -2.600 3.706 -6.976 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.655 1.307 -5.717 1.00 0.00 C ATOM 1210 CG PHE A 71 0.182 2.556 -5.649 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.082 3.542 -4.706 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.253 2.733 -6.510 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.710 4.677 -4.625 1.00 0.00 C ATOM 1214 CE2 PHE A 71 2.043 3.865 -6.438 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.774 4.836 -5.496 1.00 0.00 C ATOM 0 H PHE A 71 -2.180 -0.557 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.606 1.941 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.571 0.781 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.238 0.651 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.914 3.423 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.474 1.976 -7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.498 5.434 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.871 3.989 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.393 5.719 -5.438 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.269 1.982 -8.398 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.486 2.743 -9.632 1.00 0.00 C ATOM 1227 C TYR A 72 -3.905 3.322 -9.629 1.00 0.00 C ATOM 1228 O TYR A 72 -4.122 4.503 -9.892 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.301 1.789 -10.827 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.784 2.308 -12.164 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.108 3.311 -12.837 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.913 1.762 -12.764 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.546 3.765 -14.068 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.356 2.207 -13.996 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.669 3.213 -14.645 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.098 3.661 -15.879 1.00 0.00 O ATOM 0 H TYR A 72 -2.056 0.998 -8.559 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.775 3.566 -9.705 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.242 1.546 -10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.824 0.858 -10.609 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.224 3.746 -12.394 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.454 0.976 -12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.008 4.552 -14.577 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.234 1.770 -14.448 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.902 3.168 -16.145 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.850 2.454 -9.309 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.274 2.794 -9.231 1.00 0.00 C ATOM 1248 C ASN A 73 -6.508 3.880 -8.183 1.00 0.00 C ATOM 1249 O ASN A 73 -7.300 4.804 -8.381 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.052 1.531 -8.847 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.553 1.628 -9.046 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.196 2.603 -8.666 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.133 0.591 -9.623 1.00 0.00 N ATOM 0 H ASN A 73 -4.654 1.477 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.613 3.171 -10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.674 0.695 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.852 1.301 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.143 0.585 -9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.571 -0.204 -9.928 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.803 3.759 -7.068 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.906 4.713 -5.978 1.00 0.00 C ATOM 1262 C ALA A 74 -5.441 6.093 -6.430 1.00 0.00 C ATOM 1263 O ALA A 74 -5.972 7.112 -5.985 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.097 4.237 -4.788 1.00 0.00 C ATOM 0 H ALA A 74 -5.146 2.998 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.951 4.789 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.182 4.961 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.476 3.271 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.051 4.136 -5.076 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.472 6.123 -7.342 1.00 0.00 N ATOM 1271 CA LEU A 75 -3.973 7.379 -7.885 1.00 0.00 C ATOM 1272 C LEU A 75 -5.095 8.066 -8.654 1.00 0.00 C ATOM 1273 O LEU A 75 -5.305 9.268 -8.528 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.770 7.134 -8.793 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.519 6.581 -8.093 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.495 6.112 -9.114 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -0.903 7.637 -7.186 1.00 0.00 C ATOM 0 H LEU A 75 -4.018 5.291 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.646 8.022 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.064 6.437 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.508 8.072 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.821 5.728 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.383 5.724 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.930 5.325 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.203 6.950 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.018 7.227 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.620 8.506 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.629 7.935 -6.429 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.848 7.278 -9.418 1.00 0.00 N ATOM 1290 CA LEU A 76 -6.985 7.800 -10.175 1.00 0.00 C ATOM 1291 C LEU A 76 -8.105 8.235 -9.232 1.00 0.00 C ATOM 1292 O LEU A 76 -8.984 9.008 -9.612 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.523 6.746 -11.153 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.845 6.703 -12.527 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.419 6.203 -12.410 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.641 5.825 -13.480 1.00 0.00 C ATOM 0 H LEU A 76 -5.692 6.276 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.637 8.663 -10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.425 5.764 -10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.588 6.924 -11.300 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.816 7.717 -12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.959 6.181 -13.398 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.852 6.869 -11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.419 5.198 -11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.148 5.803 -14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.699 4.813 -13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.647 6.229 -13.592 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.068 7.729 -8.003 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.073 8.055 -7.012 1.00 0.00 C ATOM 1310 C HIS A 77 -8.812 9.417 -6.367 1.00 0.00 C ATOM 1311 O HIS A 77 -9.755 10.153 -6.081 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.139 6.950 -5.955 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.276 5.994 -6.188 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.589 6.399 -6.312 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.293 4.647 -6.327 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.361 5.348 -6.513 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.601 4.275 -6.530 1.00 0.00 N ATOM 0 H HIS A 77 -7.346 7.088 -7.674 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.038 8.121 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.199 6.398 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.245 7.402 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.438 3.988 -6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.433 5.366 -6.642 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.929 3.320 -6.671 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.548 9.767 -6.159 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.230 11.059 -5.563 1.00 0.00 C ATOM 1328 C GLU A 78 -6.665 12.041 -6.600 1.00 0.00 C ATOM 1329 O GLU A 78 -5.787 12.850 -6.296 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.278 10.893 -4.370 1.00 0.00 C ATOM 1331 CG GLU A 78 -6.991 10.576 -3.071 1.00 0.00 C ATOM 1332 CD GLU A 78 -7.963 11.667 -2.655 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.123 11.652 -3.116 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -7.564 12.560 -1.875 1.00 0.00 O ATOM 0 H GLU A 78 -6.741 9.187 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.161 11.488 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.567 10.096 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.701 11.809 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.531 9.635 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.253 10.432 -2.282 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.231 11.999 -7.802 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.846 12.913 -8.874 1.00 0.00 C ATOM 1343 C GLY A 79 -5.386 12.870 -9.317 1.00 0.00 C ATOM 1344 O GLY A 79 -4.826 13.911 -9.657 1.00 0.00 O ATOM 0 H GLY A 79 -7.963 11.337 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.472 12.703 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.075 13.929 -8.554 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.769 11.699 -9.354 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.385 11.604 -9.811 1.00 0.00 C ATOM 1350 C TYR A 80 -3.294 10.685 -11.033 1.00 0.00 C ATOM 1351 O TYR A 80 -2.598 9.662 -11.023 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.465 11.127 -8.685 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.286 12.157 -7.600 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.645 13.357 -7.869 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -2.763 11.940 -6.320 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.485 14.314 -6.891 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.606 12.894 -5.333 1.00 0.00 C ATOM 1358 CZ TYR A 80 -1.968 14.079 -5.624 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.807 15.033 -4.644 1.00 0.00 O ATOM 0 H TYR A 80 -5.193 10.813 -9.079 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.048 12.598 -10.106 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.874 10.215 -8.250 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.491 10.872 -9.102 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.265 13.545 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.265 11.012 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.983 15.243 -7.117 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.982 12.711 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.205 14.713 -3.807 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.018 11.064 -12.083 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.061 10.294 -13.323 1.00 0.00 C ATOM 1371 C LYS A 81 -2.811 10.502 -14.173 1.00 0.00 C ATOM 1372 O LYS A 81 -2.540 9.717 -15.072 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.291 10.679 -14.144 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.607 10.441 -13.429 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.801 10.806 -14.311 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.794 12.287 -14.691 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.991 12.687 -15.494 1.00 0.00 N ATOM 0 H LYS A 81 -4.589 11.909 -12.099 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.111 9.242 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.221 11.733 -14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.287 10.111 -15.075 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.678 9.394 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.636 11.032 -12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.784 10.198 -15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.727 10.570 -13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.753 12.890 -13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.891 12.507 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.933 13.700 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.019 12.134 -16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.855 12.505 -14.944 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.052 11.553 -13.898 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.842 11.818 -14.671 1.00 0.00 C ATOM 1393 C ASP A 82 0.298 10.930 -14.205 1.00 0.00 C ATOM 1394 O ASP A 82 0.993 10.334 -15.024 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.442 13.293 -14.600 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.358 14.184 -15.418 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.306 13.665 -16.046 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.135 15.410 -15.436 1.00 0.00 O ATOM 0 H ASP A 82 -2.246 12.228 -13.158 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.059 11.584 -15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.456 13.620 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.582 13.406 -14.956 1.00 0.00 H new ATOM 1403 N LEU A 83 0.471 10.812 -12.891 1.00 0.00 N ATOM 1404 CA LEU A 83 1.513 9.950 -12.349 1.00 0.00 C ATOM 1405 C LEU A 83 1.190 8.520 -12.749 1.00 0.00 C ATOM 1406 O LEU A 83 2.047 7.776 -13.221 1.00 0.00 O ATOM 1407 CB LEU A 83 1.578 10.076 -10.818 1.00 0.00 C ATOM 1408 CG LEU A 83 2.966 9.901 -10.173 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.578 8.544 -10.493 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.901 11.009 -10.609 1.00 0.00 C ATOM 0 H LEU A 83 -0.090 11.297 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 83 2.485 10.244 -12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.194 11.057 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.905 9.336 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 83 2.826 9.955 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.556 8.465 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.927 7.754 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.690 8.441 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.876 10.867 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.011 10.987 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.490 11.972 -10.306 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.073 8.164 -12.586 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.553 6.842 -12.953 1.00 0.00 C ATOM 1424 C ALA A 84 -0.368 6.585 -14.449 1.00 0.00 C ATOM 1425 O ALA A 84 -0.034 5.475 -14.852 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.011 6.698 -12.558 1.00 0.00 C ATOM 0 H ALA A 84 -0.790 8.778 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 84 0.034 6.097 -12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.367 5.706 -12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.111 6.832 -11.481 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.604 7.453 -13.074 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.563 7.621 -15.268 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.392 7.494 -16.716 1.00 0.00 C ATOM 1434 C ALA A 85 1.059 7.171 -17.035 1.00 0.00 C ATOM 1435 O ALA A 85 1.350 6.411 -17.959 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.830 8.764 -17.441 1.00 0.00 C ATOM 0 H ALA A 85 -0.838 8.552 -14.955 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.026 6.680 -17.067 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.690 8.637 -18.514 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.882 8.957 -17.233 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.231 9.606 -17.094 1.00 0.00 H new ATOM 1442 N LEU A 86 1.963 7.726 -16.235 1.00 0.00 N ATOM 1443 CA LEU A 86 3.396 7.479 -16.386 1.00 0.00 C ATOM 1444 C LEU A 86 3.718 6.005 -16.134 1.00 0.00 C ATOM 1445 O LEU A 86 4.774 5.502 -16.526 1.00 0.00 O ATOM 1446 CB LEU A 86 4.171 8.341 -15.392 1.00 0.00 C ATOM 1447 CG LEU A 86 4.182 9.840 -15.687 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.599 10.621 -14.453 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.125 10.128 -16.835 1.00 0.00 C ATOM 0 H LEU A 86 1.727 8.356 -15.468 1.00 0.00 H new ATOM 0 HA LEU A 86 3.687 7.734 -17.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.749 8.187 -14.399 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.202 7.988 -15.358 1.00 0.00 H new ATOM 0 HG LEU A 86 3.176 10.153 -15.966 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.602 11.687 -14.681 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.896 10.425 -13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.599 10.313 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.130 11.198 -17.042 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.132 9.805 -16.569 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.794 9.588 -17.722 1.00 0.00 H new ATOM 1461 N LEU A 87 2.805 5.334 -15.445 1.00 0.00 N ATOM 1462 CA LEU A 87 2.963 3.927 -15.086 1.00 0.00 C ATOM 1463 C LEU A 87 2.021 3.036 -15.887 1.00 0.00 C ATOM 1464 O LEU A 87 2.127 1.812 -15.841 1.00 0.00 O ATOM 1465 CB LEU A 87 2.645 3.750 -13.607 1.00 0.00 C ATOM 1466 CG LEU A 87 3.727 4.131 -12.593 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.300 5.507 -12.858 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.149 4.071 -11.190 1.00 0.00 C ATOM 0 H LEU A 87 1.932 5.748 -15.118 1.00 0.00 H new ATOM 0 HA LEU A 87 3.991 3.638 -15.306 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.755 4.338 -13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.386 2.704 -13.443 1.00 0.00 H new ATOM 0 HG LEU A 87 4.544 3.416 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.063 5.733 -12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.745 5.530 -13.853 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.505 6.250 -12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.919 4.342 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.315 4.768 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.798 3.060 -10.984 1.00 0.00 H new ATOM 1480 N HIS A 88 1.083 3.661 -16.593 1.00 0.00 N ATOM 1481 CA HIS A 88 0.084 2.946 -17.387 1.00 0.00 C ATOM 1482 C HIS A 88 0.743 2.060 -18.437 1.00 0.00 C ATOM 1483 O HIS A 88 0.187 1.043 -18.839 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.851 3.946 -18.065 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.168 3.366 -18.497 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -3.075 4.062 -19.261 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.744 2.165 -18.243 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -4.149 3.324 -19.453 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.977 2.166 -18.847 1.00 0.00 N ATOM 0 H HIS A 88 0.993 4.676 -16.632 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.489 2.307 -16.715 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.039 4.773 -17.380 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.347 4.363 -18.937 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -2.937 5.005 -19.624 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.313 1.357 -17.671 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.024 3.618 -20.013 1.00 0.00 H new ATOM 1498 N ASP A 89 1.938 2.450 -18.860 1.00 0.00 N ATOM 1499 CA ASP A 89 2.686 1.679 -19.854 1.00 0.00 C ATOM 1500 C ASP A 89 3.104 0.336 -19.266 1.00 0.00 C ATOM 1501 O ASP A 89 3.349 -0.633 -19.990 1.00 0.00 O ATOM 1502 CB ASP A 89 3.922 2.446 -20.327 1.00 0.00 C ATOM 1503 CG ASP A 89 3.573 3.642 -21.189 1.00 0.00 C ATOM 1504 OD1 ASP A 89 2.373 3.880 -21.439 1.00 0.00 O ATOM 1505 OD2 ASP A 89 4.497 4.361 -21.619 1.00 0.00 O ATOM 0 H ASP A 89 2.412 3.292 -18.534 1.00 0.00 H new ATOM 0 HA ASP A 89 2.037 1.512 -20.713 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.490 2.782 -19.460 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.568 1.773 -20.891 1.00 0.00 H new ATOM 1510 N GLY A 90 3.159 0.289 -17.940 1.00 0.00 N ATOM 1511 CA GLY A 90 3.518 -0.923 -17.243 1.00 0.00 C ATOM 1512 C GLY A 90 2.293 -1.672 -16.735 1.00 0.00 C ATOM 1513 O GLY A 90 2.345 -2.881 -16.512 1.00 0.00 O ATOM 0 H GLY A 90 2.958 1.083 -17.332 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.088 -1.570 -17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.168 -0.679 -16.403 1.00 0.00 H new ATOM 1517 N ILE A 91 1.191 -0.948 -16.548 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.043 -1.541 -16.069 1.00 0.00 C ATOM 1519 C ILE A 91 -0.704 -2.362 -17.178 1.00 0.00 C ATOM 1520 O ILE A 91 -1.013 -1.834 -18.245 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.037 -0.457 -15.572 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.387 0.427 -14.517 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.301 -1.088 -15.027 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.124 -0.314 -13.315 1.00 0.00 C ATOM 0 H ILE A 91 1.134 0.055 -16.724 1.00 0.00 H new ATOM 0 HA ILE A 91 0.209 -2.191 -15.231 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.308 0.165 -16.425 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.441 0.968 -14.974 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.112 1.172 -14.188 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.980 -0.306 -14.686 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.784 -1.671 -15.811 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.050 -1.741 -14.191 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.571 0.392 -12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.702 -0.833 -12.829 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.875 -1.040 -13.627 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.927 -3.668 -16.937 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.556 -4.562 -17.921 1.00 0.00 C ATOM 1538 C PRO A 92 -2.951 -4.084 -18.314 1.00 0.00 C ATOM 1539 O PRO A 92 -3.406 -4.299 -19.437 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.635 -5.908 -17.189 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.616 -5.817 -16.108 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.581 -4.374 -15.695 1.00 0.00 C ATOM 0 HA PRO A 92 -0.992 -4.608 -18.853 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.631 -6.077 -16.780 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.422 -6.737 -17.863 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.881 -6.458 -15.267 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.361 -6.145 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.295 -4.164 -14.899 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.402 -4.083 -15.326 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.617 -3.420 -17.383 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.950 -2.894 -17.629 1.00 0.00 C ATOM 1552 C VAL A 93 -4.858 -1.565 -18.371 1.00 0.00 C ATOM 1553 O VAL A 93 -4.528 -0.533 -17.787 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.737 -2.694 -16.317 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -7.155 -2.209 -16.599 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.760 -3.978 -15.503 1.00 0.00 C ATOM 0 H VAL A 93 -3.255 -3.232 -16.448 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.483 -3.624 -18.238 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.229 -1.927 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.688 -2.076 -15.658 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.115 -1.258 -17.131 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.677 -2.945 -17.210 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.320 -3.815 -14.582 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.237 -4.768 -16.083 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.739 -4.273 -15.260 1.00 0.00 H new ATOM 1566 N VAL A 94 -5.135 -1.605 -19.661 1.00 0.00 N ATOM 1567 CA VAL A 94 -5.081 -0.416 -20.499 1.00 0.00 C ATOM 1568 C VAL A 94 -6.433 -0.187 -21.185 1.00 0.00 C ATOM 1569 O VAL A 94 -6.621 -0.470 -22.370 1.00 0.00 O ATOM 1570 CB VAL A 94 -3.921 -0.512 -21.527 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -4.007 -1.780 -22.370 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -3.876 0.727 -22.417 1.00 0.00 C ATOM 0 H VAL A 94 -5.402 -2.455 -20.157 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.877 0.448 -19.867 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.992 -0.563 -20.958 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.176 -1.805 -23.075 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.958 -2.653 -21.720 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.949 -1.789 -22.919 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.055 0.635 -23.128 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.817 0.820 -22.959 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.724 1.613 -21.800 1.00 0.00 H new ATOM 1582 N SER A 95 -7.383 0.316 -20.412 1.00 0.00 N ATOM 1583 CA SER A 95 -8.722 0.575 -20.911 1.00 0.00 C ATOM 1584 C SER A 95 -9.488 1.453 -19.924 1.00 0.00 C ATOM 1585 O SER A 95 -9.056 1.637 -18.784 1.00 0.00 O ATOM 1586 CB SER A 95 -9.460 -0.754 -21.121 1.00 0.00 C ATOM 1587 OG SER A 95 -10.705 -0.563 -21.771 1.00 0.00 O ATOM 0 H SER A 95 -7.248 0.554 -19.429 1.00 0.00 H new ATOM 0 HA SER A 95 -8.654 1.099 -21.864 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.839 -1.426 -21.713 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.622 -1.237 -20.157 1.00 0.00 H new ATOM 0 HG SER A 95 -11.148 -1.429 -21.891 1.00 0.00 H new ATOM 1593 N SER A 96 -10.622 1.986 -20.363 1.00 0.00 N ATOM 1594 CA SER A 96 -11.448 2.833 -19.518 1.00 0.00 C ATOM 1595 C SER A 96 -12.339 1.953 -18.631 1.00 0.00 C ATOM 1596 O SER A 96 -12.176 0.730 -18.589 1.00 0.00 O ATOM 1597 CB SER A 96 -12.289 3.781 -20.388 1.00 0.00 C ATOM 1598 OG SER A 96 -12.954 4.762 -19.609 1.00 0.00 O ATOM 0 H SER A 96 -10.990 1.844 -21.304 1.00 0.00 H new ATOM 0 HA SER A 96 -10.815 3.443 -18.874 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.645 4.272 -21.118 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.024 3.203 -20.949 1.00 0.00 H new ATOM 0 HG SER A 96 -13.477 5.347 -20.196 1.00 0.00 H new ATOM 1604 N SER A 97 -13.274 2.562 -17.926 1.00 0.00 N ATOM 1605 CA SER A 97 -14.165 1.812 -17.053 1.00 0.00 C ATOM 1606 C SER A 97 -15.622 2.207 -17.276 1.00 0.00 C ATOM 1607 O SER A 97 -16.486 1.301 -17.293 1.00 0.00 O ATOM 1608 CB SER A 97 -13.764 2.018 -15.588 1.00 0.00 C ATOM 1609 OG SER A 97 -13.456 3.381 -15.323 1.00 0.00 O ATOM 1610 OXT SER A 97 -15.893 3.409 -17.461 1.00 0.00 O ATOM 0 H SER A 97 -13.438 3.569 -17.939 1.00 0.00 H new ATOM 0 HA SER A 97 -14.071 0.754 -17.297 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.576 1.693 -14.937 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.900 1.396 -15.354 1.00 0.00 H new ATOM 0 HG SER A 97 -13.205 3.483 -14.381 1.00 0.00 H new TER 1616 SER A 97