USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 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 62 ASN : amide:sc= -2.46! K(o=-2.9!,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 149:sc= -0.478 (180deg=-0.94) USER MOD Set 2.1: A 52 ASN : amide:sc= -2.7! C(o=-6.4!,f=-15!) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -161:sc= -1.62 (180deg=-2.62!) USER MOD Set 2.3: A 83 THR OG1 : rot -170:sc= -2.09! USER MOD Single : A 1 MET CE :methyl -106:sc= 0 (180deg=-0.0975) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.232 (180deg=-1.14) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -125:sc= -2.27! USER MOD Single : A 17 GLN : amide:sc= -2.11 K(o=-2.1,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= -0.26 (180deg=-1.73!) USER MOD Single : A 26 GLN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 139:sc= -3.29! USER MOD Single : A 32 ASN : amide:sc= -8.73! C(o=-8.7!,f=-9!) USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.905 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -0.311 (180deg=-3.28!) USER MOD Single : A 42 GLN : amide:sc= -10.1! C(o=-10!,f=-8.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0797 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.94 K(o=-1.9,f=-5.6!) USER MOD Single : A 51 THR OG1 : rot 91:sc= 0.724 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.195 (180deg=-0.374) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.79! USER MOD Single : A 66 HIS : no HD1:sc= -8.38! C(o=-8.2!,f=-15!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 63:sc= 0.675 USER MOD Single : A 76 GLN : amide:sc= -0.776 K(o=-0.78,f=-0.048) USER MOD Single : A 77 ASN : amide:sc= -3.42! C(o=-3.4!,f=-2.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.66) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0446 (180deg=-0.472) USER MOD Single : A 90 ASN : amide:sc= -7.81! C(o=-7.8!,f=-12!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -69:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.627 -10.452 -20.762 1.00 0.00 N ATOM 2 CA MET A 1 -14.784 -10.341 -19.283 1.00 0.00 C ATOM 3 C MET A 1 -13.404 -10.266 -18.626 1.00 0.00 C ATOM 4 O MET A 1 -12.936 -11.217 -18.034 1.00 0.00 O ATOM 5 CB MET A 1 -15.533 -11.567 -18.757 1.00 0.00 C ATOM 6 CG MET A 1 -16.942 -11.598 -19.349 1.00 0.00 C ATOM 7 SD MET A 1 -18.007 -10.459 -18.428 1.00 0.00 S ATOM 8 CE MET A 1 -18.405 -11.578 -17.063 1.00 0.00 C ATOM 0 H1 MET A 1 -15.451 -10.026 -21.232 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.764 -9.953 -21.058 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.556 -11.455 -21.029 1.00 0.00 H new ATOM 0 HA MET A 1 -15.348 -9.439 -19.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.995 -12.477 -19.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.585 -11.535 -17.669 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.912 -11.315 -20.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.346 -12.609 -19.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.430 -11.932 -17.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.724 -12.429 -17.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.301 -11.048 -16.116 1.00 0.00 H new ATOM 20 N ILE A 2 -12.751 -9.140 -18.722 1.00 0.00 N ATOM 21 CA ILE A 2 -11.403 -9.006 -18.098 1.00 0.00 C ATOM 22 C ILE A 2 -11.413 -7.843 -17.101 1.00 0.00 C ATOM 23 O ILE A 2 -11.001 -6.746 -17.423 1.00 0.00 O ATOM 24 CB ILE A 2 -10.359 -8.747 -19.187 1.00 0.00 C ATOM 25 CG1 ILE A 2 -8.999 -8.486 -18.537 1.00 0.00 C ATOM 26 CG2 ILE A 2 -10.766 -7.529 -20.021 1.00 0.00 C ATOM 27 CD1 ILE A 2 -7.915 -8.454 -19.616 1.00 0.00 C ATOM 0 H ILE A 2 -13.091 -8.308 -19.204 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.152 -9.927 -17.572 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.294 -9.621 -19.836 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.018 -7.539 -17.997 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.778 -9.265 -17.807 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.018 -7.351 -20.794 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.733 -7.714 -20.488 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.837 -6.653 -19.376 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.946 -8.268 -19.153 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.891 -9.412 -20.136 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.135 -7.659 -20.329 1.00 0.00 H new ATOM 39 N PRO A 3 -11.894 -8.122 -15.916 1.00 0.00 N ATOM 40 CA PRO A 3 -11.982 -7.123 -14.836 1.00 0.00 C ATOM 41 C PRO A 3 -10.612 -6.915 -14.180 1.00 0.00 C ATOM 42 O PRO A 3 -9.854 -7.846 -13.995 1.00 0.00 O ATOM 43 CB PRO A 3 -12.966 -7.752 -13.846 1.00 0.00 C ATOM 44 CG PRO A 3 -12.943 -9.276 -14.116 1.00 0.00 C ATOM 45 CD PRO A 3 -12.394 -9.461 -15.543 1.00 0.00 C ATOM 0 HA PRO A 3 -12.302 -6.142 -15.188 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.675 -7.535 -12.818 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.969 -7.348 -13.985 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.313 -9.789 -13.389 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.943 -9.700 -14.027 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.598 -10.205 -15.570 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.171 -9.801 -16.228 1.00 0.00 H new ATOM 53 N GLY A 4 -10.296 -5.701 -13.819 1.00 0.00 N ATOM 54 CA GLY A 4 -8.985 -5.436 -13.162 1.00 0.00 C ATOM 55 C GLY A 4 -9.165 -5.546 -11.652 1.00 0.00 C ATOM 56 O GLY A 4 -9.346 -4.559 -10.968 1.00 0.00 O ATOM 0 H GLY A 4 -10.889 -4.882 -13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.238 -6.151 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.623 -4.443 -13.428 1.00 0.00 H new ATOM 60 N GLY A 5 -9.138 -6.736 -11.122 1.00 0.00 N ATOM 61 CA GLY A 5 -9.335 -6.886 -9.657 1.00 0.00 C ATOM 62 C GLY A 5 -10.556 -6.062 -9.255 1.00 0.00 C ATOM 63 O GLY A 5 -10.608 -5.483 -8.190 1.00 0.00 O ATOM 0 H GLY A 5 -8.989 -7.604 -11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.482 -7.935 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.451 -6.545 -9.117 1.00 0.00 H new ATOM 67 N LEU A 6 -11.539 -5.999 -10.115 1.00 0.00 N ATOM 68 CA LEU A 6 -12.760 -5.213 -9.810 1.00 0.00 C ATOM 69 C LEU A 6 -13.782 -6.115 -9.123 1.00 0.00 C ATOM 70 O LEU A 6 -13.439 -7.117 -8.535 1.00 0.00 O ATOM 71 CB LEU A 6 -13.337 -4.680 -11.119 1.00 0.00 C ATOM 72 CG LEU A 6 -13.899 -3.274 -10.905 1.00 0.00 C ATOM 73 CD1 LEU A 6 -12.780 -2.346 -10.428 1.00 0.00 C ATOM 74 CD2 LEU A 6 -14.465 -2.751 -12.226 1.00 0.00 C ATOM 0 H LEU A 6 -11.543 -6.465 -11.023 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.518 -4.381 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.563 -4.659 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.123 -5.345 -11.478 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.689 -3.306 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -13.179 -1.343 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.372 -2.721 -9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.991 -2.312 -11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.867 -1.749 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.672 -2.718 -12.974 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -15.260 -3.414 -12.569 1.00 0.00 H new ATOM 86 N SER A 7 -15.034 -5.765 -9.190 1.00 0.00 N ATOM 87 CA SER A 7 -16.074 -6.603 -8.531 1.00 0.00 C ATOM 88 C SER A 7 -15.655 -6.868 -7.086 1.00 0.00 C ATOM 89 O SER A 7 -15.959 -6.103 -6.191 1.00 0.00 O ATOM 90 CB SER A 7 -16.208 -7.933 -9.273 1.00 0.00 C ATOM 91 OG SER A 7 -16.874 -7.718 -10.510 1.00 0.00 O ATOM 0 H SER A 7 -15.383 -4.936 -9.672 1.00 0.00 H new ATOM 0 HA SER A 7 -17.032 -6.083 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.223 -8.365 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.766 -8.646 -8.666 1.00 0.00 H new ATOM 0 HG SER A 7 -16.959 -8.569 -10.988 1.00 0.00 H new ATOM 97 N GLU A 8 -14.950 -7.939 -6.852 1.00 0.00 N ATOM 98 CA GLU A 8 -14.503 -8.244 -5.472 1.00 0.00 C ATOM 99 C GLU A 8 -13.204 -7.501 -5.183 1.00 0.00 C ATOM 100 O GLU A 8 -12.128 -8.021 -5.386 1.00 0.00 O ATOM 101 CB GLU A 8 -14.270 -9.750 -5.327 1.00 0.00 C ATOM 102 CG GLU A 8 -15.371 -10.515 -6.065 1.00 0.00 C ATOM 103 CD GLU A 8 -15.552 -11.892 -5.426 1.00 0.00 C ATOM 104 OE1 GLU A 8 -14.553 -12.490 -5.059 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.686 -12.327 -5.313 1.00 0.00 O ATOM 0 H GLU A 8 -14.665 -8.615 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.270 -7.927 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.294 -10.017 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.265 -10.027 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.307 -9.957 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.111 -10.622 -7.118 1.00 0.00 H new ATOM 112 N ALA A 9 -13.289 -6.284 -4.713 1.00 0.00 N ATOM 113 CA ALA A 9 -12.049 -5.521 -4.416 1.00 0.00 C ATOM 114 C ALA A 9 -12.400 -4.165 -3.792 1.00 0.00 C ATOM 115 O ALA A 9 -13.397 -3.556 -4.126 1.00 0.00 O ATOM 116 CB ALA A 9 -11.278 -5.310 -5.713 1.00 0.00 C ATOM 0 H ALA A 9 -14.161 -5.790 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.437 -6.080 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.365 -4.751 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.021 -6.277 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.895 -4.751 -6.416 1.00 0.00 H new ATOM 122 N LYS A 10 -11.586 -3.694 -2.886 1.00 0.00 N ATOM 123 CA LYS A 10 -11.867 -2.381 -2.235 1.00 0.00 C ATOM 124 C LYS A 10 -10.732 -1.397 -2.548 1.00 0.00 C ATOM 125 O LYS A 10 -9.681 -1.793 -3.010 1.00 0.00 O ATOM 126 CB LYS A 10 -11.967 -2.577 -0.720 1.00 0.00 C ATOM 127 CG LYS A 10 -13.405 -2.318 -0.268 1.00 0.00 C ATOM 128 CD LYS A 10 -13.463 -2.286 1.260 1.00 0.00 C ATOM 129 CE LYS A 10 -13.181 -0.865 1.750 1.00 0.00 C ATOM 130 NZ LYS A 10 -13.848 -0.651 3.066 1.00 0.00 N ATOM 0 H LYS A 10 -10.737 -4.162 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.807 -1.982 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.667 -3.590 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.285 -1.897 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.760 -1.372 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.064 -3.098 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.444 -2.613 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.732 -2.978 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.107 -0.708 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.546 -0.139 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.656 0.315 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.874 -0.784 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.480 -1.335 3.757 1.00 0.00 H new ATOM 144 N PRO A 11 -10.989 -0.138 -2.292 1.00 0.00 N ATOM 145 CA PRO A 11 -10.013 0.938 -2.542 1.00 0.00 C ATOM 146 C PRO A 11 -8.949 0.986 -1.439 1.00 0.00 C ATOM 147 O PRO A 11 -9.210 1.392 -0.325 1.00 0.00 O ATOM 148 CB PRO A 11 -10.864 2.206 -2.530 1.00 0.00 C ATOM 149 CG PRO A 11 -12.143 1.865 -1.725 1.00 0.00 C ATOM 150 CD PRO A 11 -12.274 0.329 -1.735 1.00 0.00 C ATOM 0 HA PRO A 11 -9.466 0.801 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.323 3.033 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.114 2.516 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.070 2.241 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.020 2.331 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.440 -0.064 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.115 0.005 -2.347 1.00 0.00 H new ATOM 158 N ALA A 12 -7.752 0.586 -1.772 1.00 0.00 N ATOM 159 CA ALA A 12 -6.616 0.595 -0.802 1.00 0.00 C ATOM 160 C ALA A 12 -7.102 0.400 0.638 1.00 0.00 C ATOM 161 O ALA A 12 -7.121 1.328 1.421 1.00 0.00 O ATOM 162 CB ALA A 12 -5.881 1.927 -0.893 1.00 0.00 C ATOM 0 H ALA A 12 -7.507 0.244 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.952 -0.231 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.052 1.934 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.496 2.062 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.568 2.739 -0.655 1.00 0.00 H new ATOM 168 N THR A 13 -7.472 -0.792 1.007 1.00 0.00 N ATOM 169 CA THR A 13 -7.925 -1.019 2.410 1.00 0.00 C ATOM 170 C THR A 13 -6.914 -0.380 3.360 1.00 0.00 C ATOM 171 O THR A 13 -5.809 -0.069 2.963 1.00 0.00 O ATOM 172 CB THR A 13 -7.990 -2.521 2.691 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.568 -3.242 1.544 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.425 -2.910 3.050 1.00 0.00 C ATOM 0 H THR A 13 -7.482 -1.615 0.405 1.00 0.00 H new ATOM 0 HA THR A 13 -8.912 -0.579 2.554 1.00 0.00 H new ATOM 0 HB THR A 13 -7.331 -2.763 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.262 -3.886 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.473 -3.980 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.740 -2.360 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.087 -2.667 2.219 1.00 0.00 H new ATOM 182 N PRO A 14 -7.302 -0.237 4.600 1.00 0.00 N ATOM 183 CA PRO A 14 -6.418 0.324 5.631 1.00 0.00 C ATOM 184 C PRO A 14 -5.369 -0.734 5.982 1.00 0.00 C ATOM 185 O PRO A 14 -4.431 -0.497 6.716 1.00 0.00 O ATOM 186 CB PRO A 14 -7.361 0.613 6.804 1.00 0.00 C ATOM 187 CG PRO A 14 -8.600 -0.287 6.593 1.00 0.00 C ATOM 188 CD PRO A 14 -8.638 -0.629 5.090 1.00 0.00 C ATOM 0 HA PRO A 14 -5.878 1.223 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.877 0.393 7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.644 1.665 6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.530 -1.192 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.511 0.228 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.827 -1.690 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.428 -0.081 4.576 1.00 0.00 H new ATOM 196 N GLU A 15 -5.537 -1.906 5.427 1.00 0.00 N ATOM 197 CA GLU A 15 -4.595 -3.025 5.654 1.00 0.00 C ATOM 198 C GLU A 15 -3.646 -3.099 4.459 1.00 0.00 C ATOM 199 O GLU A 15 -2.444 -2.980 4.583 1.00 0.00 O ATOM 200 CB GLU A 15 -5.416 -4.310 5.719 1.00 0.00 C ATOM 201 CG GLU A 15 -4.501 -5.526 5.558 1.00 0.00 C ATOM 202 CD GLU A 15 -5.042 -6.687 6.396 1.00 0.00 C ATOM 203 OE1 GLU A 15 -4.703 -6.758 7.565 1.00 0.00 O ATOM 204 OE2 GLU A 15 -5.788 -7.486 5.852 1.00 0.00 O ATOM 0 H GLU A 15 -6.315 -2.133 4.808 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.026 -2.887 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.944 -4.366 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.173 -4.308 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.445 -5.816 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.488 -5.277 5.874 1.00 0.00 H new ATOM 211 N ILE A 16 -4.204 -3.298 3.298 1.00 0.00 N ATOM 212 CA ILE A 16 -3.380 -3.383 2.058 1.00 0.00 C ATOM 213 C ILE A 16 -2.448 -2.179 1.970 1.00 0.00 C ATOM 214 O ILE A 16 -1.284 -2.308 1.659 1.00 0.00 O ATOM 215 CB ILE A 16 -4.298 -3.380 0.836 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.205 -4.613 0.882 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.453 -3.407 -0.439 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.365 -5.884 0.719 1.00 0.00 C ATOM 0 H ILE A 16 -5.208 -3.407 3.153 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.793 -4.301 2.086 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.911 -2.479 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.746 -4.643 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.952 -4.556 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.108 -3.405 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.809 -2.528 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.839 -4.307 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.016 -6.757 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.845 -5.856 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.636 -5.944 1.527 1.00 0.00 H new ATOM 230 N GLN A 17 -2.953 -1.007 2.226 1.00 0.00 N ATOM 231 CA GLN A 17 -2.085 0.196 2.143 1.00 0.00 C ATOM 232 C GLN A 17 -0.953 0.070 3.167 1.00 0.00 C ATOM 233 O GLN A 17 0.150 0.525 2.944 1.00 0.00 O ATOM 234 CB GLN A 17 -2.932 1.454 2.394 1.00 0.00 C ATOM 235 CG GLN A 17 -2.972 1.806 3.887 1.00 0.00 C ATOM 236 CD GLN A 17 -3.615 3.185 4.075 1.00 0.00 C ATOM 237 OE1 GLN A 17 -3.543 3.758 5.144 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.246 3.749 3.078 1.00 0.00 N ATOM 0 H GLN A 17 -3.923 -0.831 2.487 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.642 0.278 1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.520 2.291 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.946 1.292 2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.539 1.052 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.962 1.806 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.309 3.272 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.675 4.666 3.200 1.00 0.00 H new ATOM 247 N GLU A 18 -1.212 -0.561 4.281 1.00 0.00 N ATOM 248 CA GLU A 18 -0.139 -0.727 5.298 1.00 0.00 C ATOM 249 C GLU A 18 1.001 -1.529 4.672 1.00 0.00 C ATOM 250 O GLU A 18 2.153 -1.380 5.031 1.00 0.00 O ATOM 251 CB GLU A 18 -0.688 -1.471 6.517 1.00 0.00 C ATOM 252 CG GLU A 18 0.456 -1.785 7.482 1.00 0.00 C ATOM 253 CD GLU A 18 0.506 -3.293 7.737 1.00 0.00 C ATOM 254 OE1 GLU A 18 0.818 -4.020 6.809 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.230 -3.693 8.856 1.00 0.00 O ATOM 0 H GLU A 18 -2.115 -0.966 4.528 1.00 0.00 H new ATOM 0 HA GLU A 18 0.223 0.249 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.443 -0.864 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.177 -2.393 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.403 -1.444 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.311 -1.251 8.421 1.00 0.00 H new ATOM 262 N ILE A 19 0.687 -2.364 3.719 1.00 0.00 N ATOM 263 CA ILE A 19 1.746 -3.156 3.039 1.00 0.00 C ATOM 264 C ILE A 19 2.593 -2.177 2.229 1.00 0.00 C ATOM 265 O ILE A 19 3.785 -2.330 2.073 1.00 0.00 O ATOM 266 CB ILE A 19 1.088 -4.199 2.116 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.008 -5.414 1.990 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.831 -3.611 0.719 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.310 -4.999 1.304 1.00 0.00 C ATOM 0 H ILE A 19 -0.261 -2.531 3.382 1.00 0.00 H new ATOM 0 HA ILE A 19 2.371 -3.687 3.757 1.00 0.00 H new ATOM 0 HB ILE A 19 0.133 -4.493 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.220 -5.827 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.516 -6.198 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.366 -4.367 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.168 -2.750 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.777 -3.299 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.966 -5.865 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.089 -4.606 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.804 -4.229 1.897 1.00 0.00 H new ATOM 281 N VAL A 20 1.955 -1.161 1.729 1.00 0.00 N ATOM 282 CA VAL A 20 2.663 -0.125 0.933 1.00 0.00 C ATOM 283 C VAL A 20 3.478 0.762 1.882 1.00 0.00 C ATOM 284 O VAL A 20 4.183 1.657 1.465 1.00 0.00 O ATOM 285 CB VAL A 20 1.604 0.705 0.202 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.163 2.075 -0.199 1.00 0.00 C ATOM 287 CG2 VAL A 20 1.158 -0.054 -1.046 1.00 0.00 C ATOM 0 H VAL A 20 0.954 -1.001 1.840 1.00 0.00 H new ATOM 0 HA VAL A 20 3.342 -0.577 0.210 1.00 0.00 H new ATOM 0 HB VAL A 20 0.757 0.866 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.392 2.645 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.476 2.616 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.019 1.939 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.403 0.528 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.015 -0.216 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.737 -1.016 -0.755 1.00 0.00 H new ATOM 297 N ASP A 21 3.376 0.518 3.159 1.00 0.00 N ATOM 298 CA ASP A 21 4.127 1.333 4.158 1.00 0.00 C ATOM 299 C ASP A 21 5.375 0.578 4.614 1.00 0.00 C ATOM 300 O ASP A 21 6.333 1.163 5.075 1.00 0.00 O ATOM 301 CB ASP A 21 3.228 1.561 5.370 1.00 0.00 C ATOM 302 CG ASP A 21 3.237 3.043 5.753 1.00 0.00 C ATOM 303 OD1 ASP A 21 2.878 3.852 4.913 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.600 3.341 6.877 1.00 0.00 O ATOM 0 H ASP A 21 2.797 -0.221 3.559 1.00 0.00 H new ATOM 0 HA ASP A 21 4.421 2.281 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.211 1.241 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.574 0.957 6.209 1.00 0.00 H new ATOM 309 N LYS A 22 5.356 -0.719 4.508 1.00 0.00 N ATOM 310 CA LYS A 22 6.528 -1.522 4.961 1.00 0.00 C ATOM 311 C LYS A 22 7.274 -2.103 3.751 1.00 0.00 C ATOM 312 O LYS A 22 8.481 -1.997 3.656 1.00 0.00 O ATOM 313 CB LYS A 22 6.012 -2.604 5.940 1.00 0.00 C ATOM 314 CG LYS A 22 6.218 -4.032 5.415 1.00 0.00 C ATOM 315 CD LYS A 22 4.940 -4.473 4.700 1.00 0.00 C ATOM 316 CE LYS A 22 4.655 -5.943 5.016 1.00 0.00 C ATOM 317 NZ LYS A 22 3.816 -6.035 6.244 1.00 0.00 N ATOM 0 H LYS A 22 4.580 -1.260 4.127 1.00 0.00 H new ATOM 0 HA LYS A 22 7.255 -0.904 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.525 -2.496 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.951 -2.441 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.066 -4.066 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.445 -4.710 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.101 -3.853 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.048 -4.336 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.143 -6.413 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.591 -6.483 5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.623 -7.034 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.321 -5.601 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.918 -5.534 6.089 1.00 0.00 H new ATOM 331 N VAL A 23 6.578 -2.698 2.827 1.00 0.00 N ATOM 332 CA VAL A 23 7.263 -3.261 1.632 1.00 0.00 C ATOM 333 C VAL A 23 7.423 -2.151 0.599 1.00 0.00 C ATOM 334 O VAL A 23 8.257 -2.214 -0.282 1.00 0.00 O ATOM 335 CB VAL A 23 6.417 -4.380 1.040 1.00 0.00 C ATOM 336 CG1 VAL A 23 6.971 -4.764 -0.329 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.464 -5.593 1.963 1.00 0.00 C ATOM 0 H VAL A 23 5.565 -2.819 2.846 1.00 0.00 H new ATOM 0 HA VAL A 23 8.238 -3.659 1.914 1.00 0.00 H new ATOM 0 HB VAL A 23 5.386 -4.041 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.367 -5.565 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.942 -3.897 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.001 -5.104 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.859 -6.395 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.495 -5.932 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.072 -5.320 2.943 1.00 0.00 H new ATOM 347 N LYS A 24 6.625 -1.127 0.715 1.00 0.00 N ATOM 348 CA LYS A 24 6.716 0.004 -0.241 1.00 0.00 C ATOM 349 C LYS A 24 6.823 1.320 0.541 1.00 0.00 C ATOM 350 O LYS A 24 6.076 2.244 0.289 1.00 0.00 O ATOM 351 CB LYS A 24 5.454 0.040 -1.111 1.00 0.00 C ATOM 352 CG LYS A 24 4.913 -1.380 -1.312 1.00 0.00 C ATOM 353 CD LYS A 24 5.807 -2.135 -2.297 1.00 0.00 C ATOM 354 CE LYS A 24 5.176 -3.490 -2.620 1.00 0.00 C ATOM 355 NZ LYS A 24 4.646 -3.468 -4.015 1.00 0.00 N ATOM 0 H LYS A 24 5.911 -1.027 1.436 1.00 0.00 H new ATOM 0 HA LYS A 24 7.594 -0.124 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.695 0.663 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.681 0.491 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.881 -1.906 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.891 -1.341 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.933 -1.553 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.800 -2.276 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.916 -4.283 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.372 -3.706 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.795 -4.063 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.404 -2.492 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.369 -3.834 -4.667 1.00 0.00 H new ATOM 369 N PRO A 25 7.753 1.373 1.468 1.00 0.00 N ATOM 370 CA PRO A 25 7.970 2.572 2.300 1.00 0.00 C ATOM 371 C PRO A 25 8.655 3.670 1.488 1.00 0.00 C ATOM 372 O PRO A 25 8.966 4.729 1.996 1.00 0.00 O ATOM 373 CB PRO A 25 8.880 2.076 3.425 1.00 0.00 C ATOM 374 CG PRO A 25 9.583 0.810 2.884 1.00 0.00 C ATOM 375 CD PRO A 25 8.674 0.256 1.772 1.00 0.00 C ATOM 0 HA PRO A 25 7.042 3.005 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.609 2.838 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.303 1.848 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.572 1.050 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.722 0.074 3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.251 -0.035 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.131 -0.629 2.105 1.00 0.00 H new ATOM 383 N GLN A 26 8.859 3.444 0.222 1.00 0.00 N ATOM 384 CA GLN A 26 9.478 4.483 -0.626 1.00 0.00 C ATOM 385 C GLN A 26 8.456 4.793 -1.685 1.00 0.00 C ATOM 386 O GLN A 26 8.121 5.920 -1.929 1.00 0.00 O ATOM 387 CB GLN A 26 10.765 3.952 -1.262 1.00 0.00 C ATOM 388 CG GLN A 26 11.766 3.598 -0.161 1.00 0.00 C ATOM 389 CD GLN A 26 12.709 2.498 -0.655 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.005 1.568 0.068 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.195 2.568 -1.863 1.00 0.00 N ATOM 0 H GLN A 26 8.620 2.577 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 26 9.749 5.370 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.548 3.073 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.191 4.702 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.339 4.482 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.237 3.263 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.945 3.350 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.825 1.841 -2.202 1.00 0.00 H new ATOM 400 N LEU A 27 7.910 3.776 -2.260 1.00 0.00 N ATOM 401 CA LEU A 27 6.859 3.961 -3.272 1.00 0.00 C ATOM 402 C LEU A 27 5.637 4.611 -2.604 1.00 0.00 C ATOM 403 O LEU A 27 4.719 5.061 -3.257 1.00 0.00 O ATOM 404 CB LEU A 27 6.500 2.574 -3.799 1.00 0.00 C ATOM 405 CG LEU A 27 7.787 1.814 -4.157 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.592 0.314 -3.931 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.132 2.079 -5.624 1.00 0.00 C ATOM 0 H LEU A 27 8.153 2.804 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 27 7.190 4.603 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.936 2.022 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.860 2.661 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 27 8.602 2.159 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.510 -0.215 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.349 0.132 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.778 -0.046 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.044 1.543 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.315 1.735 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.283 3.148 -5.775 1.00 0.00 H new ATOM 419 N GLU A 28 5.631 4.643 -1.296 1.00 0.00 N ATOM 420 CA GLU A 28 4.489 5.236 -0.537 1.00 0.00 C ATOM 421 C GLU A 28 4.748 6.712 -0.205 1.00 0.00 C ATOM 422 O GLU A 28 3.855 7.419 0.218 1.00 0.00 O ATOM 423 CB GLU A 28 4.302 4.451 0.764 1.00 0.00 C ATOM 424 CG GLU A 28 3.403 5.234 1.725 1.00 0.00 C ATOM 425 CD GLU A 28 4.272 6.084 2.654 1.00 0.00 C ATOM 426 OE1 GLU A 28 5.480 6.063 2.484 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.715 6.741 3.517 1.00 0.00 O ATOM 0 H GLU A 28 6.383 4.277 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 28 3.592 5.179 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.859 3.478 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.270 4.266 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.720 5.871 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.791 4.547 2.309 1.00 0.00 H new ATOM 434 N GLU A 29 5.950 7.190 -0.377 1.00 0.00 N ATOM 435 CA GLU A 29 6.226 8.619 -0.051 1.00 0.00 C ATOM 436 C GLU A 29 7.179 9.158 -1.101 1.00 0.00 C ATOM 437 O GLU A 29 7.899 10.114 -0.892 1.00 0.00 O ATOM 438 CB GLU A 29 6.867 8.721 1.335 1.00 0.00 C ATOM 439 CG GLU A 29 8.159 7.900 1.363 1.00 0.00 C ATOM 440 CD GLU A 29 8.688 7.828 2.796 1.00 0.00 C ATOM 441 OE1 GLU A 29 9.312 8.785 3.226 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.461 6.817 3.441 1.00 0.00 O ATOM 0 H GLU A 29 6.747 6.658 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 29 5.300 9.195 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.081 9.763 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.176 8.356 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.972 6.896 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.905 8.354 0.711 1.00 0.00 H new ATOM 449 N LYS A 30 7.180 8.527 -2.229 1.00 0.00 N ATOM 450 CA LYS A 30 8.067 8.938 -3.332 1.00 0.00 C ATOM 451 C LYS A 30 7.247 9.725 -4.331 1.00 0.00 C ATOM 452 O LYS A 30 7.489 10.891 -4.572 1.00 0.00 O ATOM 453 CB LYS A 30 8.597 7.666 -3.969 1.00 0.00 C ATOM 454 CG LYS A 30 9.975 7.914 -4.583 1.00 0.00 C ATOM 455 CD LYS A 30 9.882 7.831 -6.108 1.00 0.00 C ATOM 456 CE LYS A 30 10.168 6.397 -6.561 1.00 0.00 C ATOM 457 NZ LYS A 30 11.137 6.417 -7.692 1.00 0.00 N ATOM 0 H LYS A 30 6.588 7.723 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 30 8.894 9.559 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.662 6.876 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.906 7.321 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.346 8.895 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.687 7.177 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.890 8.137 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.596 8.517 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.572 5.816 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.243 5.910 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.331 5.443 -8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.734 6.957 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.023 6.865 -7.382 1.00 0.00 H new ATOM 471 N THR A 31 6.252 9.102 -4.885 1.00 0.00 N ATOM 472 CA THR A 31 5.373 9.818 -5.836 1.00 0.00 C ATOM 473 C THR A 31 5.039 11.165 -5.203 1.00 0.00 C ATOM 474 O THR A 31 4.853 12.163 -5.872 1.00 0.00 O ATOM 475 CB THR A 31 4.111 8.981 -6.048 1.00 0.00 C ATOM 476 OG1 THR A 31 3.539 9.292 -7.309 1.00 0.00 O ATOM 477 CG2 THR A 31 3.090 9.254 -4.940 1.00 0.00 C ATOM 0 H THR A 31 6.010 8.125 -4.719 1.00 0.00 H new ATOM 0 HA THR A 31 5.848 9.974 -6.805 1.00 0.00 H new ATOM 0 HB THR A 31 4.384 7.926 -6.019 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.236 8.467 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.199 8.649 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.525 8.998 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.818 10.310 -4.948 1.00 0.00 H new ATOM 485 N ASN A 32 5.007 11.179 -3.897 1.00 0.00 N ATOM 486 CA ASN A 32 4.737 12.430 -3.150 1.00 0.00 C ATOM 487 C ASN A 32 3.701 13.275 -3.894 1.00 0.00 C ATOM 488 O ASN A 32 3.840 14.476 -4.020 1.00 0.00 O ATOM 489 CB ASN A 32 6.057 13.195 -3.014 1.00 0.00 C ATOM 490 CG ASN A 32 6.551 13.618 -4.401 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.827 14.224 -5.163 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.768 13.318 -4.761 1.00 0.00 N ATOM 0 H ASN A 32 5.160 10.358 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 32 4.335 12.203 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.917 14.073 -2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.804 12.568 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.110 13.593 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.378 12.809 -4.122 1.00 0.00 H new ATOM 499 N GLU A 33 2.657 12.660 -4.381 1.00 0.00 N ATOM 500 CA GLU A 33 1.620 13.442 -5.112 1.00 0.00 C ATOM 501 C GLU A 33 0.780 14.234 -4.110 1.00 0.00 C ATOM 502 O GLU A 33 0.696 13.891 -2.949 1.00 0.00 O ATOM 503 CB GLU A 33 0.714 12.489 -5.898 1.00 0.00 C ATOM 504 CG GLU A 33 0.291 13.157 -7.208 1.00 0.00 C ATOM 505 CD GLU A 33 1.534 13.521 -8.022 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.479 12.750 -8.001 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.519 14.566 -8.654 1.00 0.00 O ATOM 0 H GLU A 33 2.478 11.659 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 33 2.107 14.129 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.240 11.557 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.165 12.234 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.348 12.485 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.295 14.052 -6.999 1.00 0.00 H new ATOM 514 N THR A 34 0.156 15.294 -4.551 1.00 0.00 N ATOM 515 CA THR A 34 -0.680 16.108 -3.621 1.00 0.00 C ATOM 516 C THR A 34 -2.085 15.507 -3.540 1.00 0.00 C ATOM 517 O THR A 34 -3.074 16.212 -3.560 1.00 0.00 O ATOM 518 CB THR A 34 -0.771 17.543 -4.140 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.559 18.317 -3.246 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.417 17.546 -5.527 1.00 0.00 C ATOM 0 H THR A 34 0.189 15.631 -5.513 1.00 0.00 H new ATOM 0 HA THR A 34 -0.226 16.108 -2.630 1.00 0.00 H new ATOM 0 HB THR A 34 0.229 17.971 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.380 17.829 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.481 18.570 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.812 16.951 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.418 17.120 -5.463 1.00 0.00 H new ATOM 528 N TYR A 35 -2.178 14.210 -3.446 1.00 0.00 N ATOM 529 CA TYR A 35 -3.515 13.560 -3.359 1.00 0.00 C ATOM 530 C TYR A 35 -3.423 12.350 -2.442 1.00 0.00 C ATOM 531 O TYR A 35 -2.573 12.267 -1.580 1.00 0.00 O ATOM 532 CB TYR A 35 -3.951 13.080 -4.745 1.00 0.00 C ATOM 533 CG TYR A 35 -3.671 14.158 -5.765 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.439 15.328 -5.770 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.648 13.989 -6.706 1.00 0.00 C ATOM 536 CE1 TYR A 35 -4.186 16.329 -6.713 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.394 14.991 -7.652 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.162 16.163 -7.655 1.00 0.00 C ATOM 539 OH TYR A 35 -2.913 17.150 -8.585 1.00 0.00 O ATOM 0 H TYR A 35 -1.384 13.571 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.236 14.280 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.417 12.167 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.014 12.837 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.228 15.458 -5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.055 13.086 -6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.780 17.231 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.606 14.860 -8.379 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.170 16.876 -9.162 1.00 0.00 H new ATOM 549 N GLY A 36 -4.283 11.399 -2.646 1.00 0.00 N ATOM 550 CA GLY A 36 -4.245 10.170 -1.820 1.00 0.00 C ATOM 551 C GLY A 36 -3.889 9.007 -2.735 1.00 0.00 C ATOM 552 O GLY A 36 -4.693 8.129 -2.982 1.00 0.00 O ATOM 0 H GLY A 36 -5.016 11.421 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.509 10.268 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.210 10.000 -1.343 1.00 0.00 H new ATOM 556 N LYS A 37 -2.685 8.985 -3.245 1.00 0.00 N ATOM 557 CA LYS A 37 -2.283 7.884 -4.136 1.00 0.00 C ATOM 558 C LYS A 37 -0.905 7.435 -3.672 1.00 0.00 C ATOM 559 O LYS A 37 -0.065 7.021 -4.424 1.00 0.00 O ATOM 560 CB LYS A 37 -2.229 8.378 -5.583 1.00 0.00 C ATOM 561 CG LYS A 37 -3.651 8.488 -6.140 1.00 0.00 C ATOM 562 CD LYS A 37 -4.115 9.943 -6.075 1.00 0.00 C ATOM 563 CE LYS A 37 -3.383 10.758 -7.144 1.00 0.00 C ATOM 564 NZ LYS A 37 -3.993 10.498 -8.477 1.00 0.00 N ATOM 0 H LYS A 37 -1.968 9.690 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.994 7.058 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.733 9.348 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.641 7.690 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.678 8.133 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.327 7.854 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.192 10.000 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.915 10.356 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.440 11.821 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.326 10.491 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.952 11.363 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.469 9.738 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.985 10.210 -8.355 1.00 0.00 H new ATOM 578 N LEU A 38 -0.674 7.562 -2.413 1.00 0.00 N ATOM 579 CA LEU A 38 0.617 7.215 -1.824 1.00 0.00 C ATOM 580 C LEU A 38 0.388 6.040 -0.897 1.00 0.00 C ATOM 581 O LEU A 38 0.603 6.128 0.292 1.00 0.00 O ATOM 582 CB LEU A 38 1.043 8.406 -0.994 1.00 0.00 C ATOM 583 CG LEU A 38 0.685 9.733 -1.697 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.739 9.607 -3.226 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.699 10.208 -1.254 1.00 0.00 C ATOM 0 H LEU A 38 -1.361 7.908 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 38 1.366 6.968 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.557 8.365 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.118 8.364 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 38 1.432 10.471 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.480 10.564 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.745 9.321 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.030 8.847 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.940 11.145 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.443 9.455 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.702 10.364 -0.175 1.00 0.00 H new ATOM 597 N GLU A 39 -0.102 4.964 -1.415 1.00 0.00 N ATOM 598 CA GLU A 39 -0.410 3.819 -0.537 1.00 0.00 C ATOM 599 C GLU A 39 -0.931 2.684 -1.410 1.00 0.00 C ATOM 600 O GLU A 39 -0.663 2.631 -2.594 1.00 0.00 O ATOM 601 CB GLU A 39 -1.494 4.275 0.446 1.00 0.00 C ATOM 602 CG GLU A 39 -0.969 4.168 1.885 1.00 0.00 C ATOM 603 CD GLU A 39 -0.665 5.565 2.426 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.603 6.312 2.646 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.504 5.867 2.611 1.00 0.00 O ATOM 0 H GLU A 39 -0.303 4.826 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 39 0.467 3.476 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.784 5.303 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.387 3.661 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.708 3.675 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.069 3.554 1.910 1.00 0.00 H new ATOM 612 N ALA A 40 -1.692 1.796 -0.861 1.00 0.00 N ATOM 613 CA ALA A 40 -2.240 0.700 -1.699 1.00 0.00 C ATOM 614 C ALA A 40 -3.290 1.292 -2.638 1.00 0.00 C ATOM 615 O ALA A 40 -3.853 2.334 -2.378 1.00 0.00 O ATOM 616 CB ALA A 40 -2.886 -0.363 -0.807 1.00 0.00 C ATOM 0 H ALA A 40 -1.960 1.776 0.123 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.440 0.234 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.286 -1.165 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.138 -0.770 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.694 0.088 -0.231 1.00 0.00 H new ATOM 622 N VAL A 41 -3.562 0.634 -3.726 1.00 0.00 N ATOM 623 CA VAL A 41 -4.580 1.146 -4.678 1.00 0.00 C ATOM 624 C VAL A 41 -5.865 0.374 -4.441 1.00 0.00 C ATOM 625 O VAL A 41 -6.958 0.895 -4.549 1.00 0.00 O ATOM 626 CB VAL A 41 -4.087 0.926 -6.126 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.997 -0.046 -6.866 1.00 0.00 C ATOM 628 CG2 VAL A 41 -4.096 2.252 -6.879 1.00 0.00 C ATOM 0 H VAL A 41 -3.119 -0.243 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.749 2.212 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.078 0.517 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.630 -0.185 -7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.003 -1.005 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.010 0.356 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.748 2.093 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.110 2.652 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.437 2.960 -6.377 1.00 0.00 H new ATOM 638 N GLN A 42 -5.726 -0.880 -4.142 1.00 0.00 N ATOM 639 CA GLN A 42 -6.927 -1.722 -3.919 1.00 0.00 C ATOM 640 C GLN A 42 -6.504 -3.184 -3.865 1.00 0.00 C ATOM 641 O GLN A 42 -5.403 -3.544 -4.228 1.00 0.00 O ATOM 642 CB GLN A 42 -7.932 -1.458 -5.068 1.00 0.00 C ATOM 643 CG GLN A 42 -8.473 -2.769 -5.681 1.00 0.00 C ATOM 644 CD GLN A 42 -7.364 -3.456 -6.483 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.753 -2.853 -7.343 1.00 0.00 O ATOM 646 NE2 GLN A 42 -7.084 -4.704 -6.233 1.00 0.00 N ATOM 0 H GLN A 42 -4.832 -1.361 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.411 -1.477 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.765 -0.864 -4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.446 -0.868 -5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.829 -3.432 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.325 -2.556 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.599 -5.207 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.350 -5.177 -6.760 1.00 0.00 H new ATOM 655 N TYR A 43 -7.380 -4.024 -3.416 1.00 0.00 N ATOM 656 CA TYR A 43 -7.055 -5.461 -3.334 1.00 0.00 C ATOM 657 C TYR A 43 -8.322 -6.263 -3.613 1.00 0.00 C ATOM 658 O TYR A 43 -9.287 -6.197 -2.878 1.00 0.00 O ATOM 659 CB TYR A 43 -6.543 -5.779 -1.943 1.00 0.00 C ATOM 660 CG TYR A 43 -7.679 -5.637 -0.958 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.318 -4.401 -0.783 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.109 -6.754 -0.242 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.391 -4.293 0.113 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.177 -6.645 0.657 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.819 -5.415 0.832 1.00 0.00 C ATOM 666 OH TYR A 43 -10.877 -5.310 1.712 1.00 0.00 O ATOM 0 H TYR A 43 -8.317 -3.773 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.288 -5.717 -4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.142 -6.792 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.728 -5.105 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.985 -3.535 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.617 -7.705 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.888 -3.344 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.505 -7.510 1.215 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.045 -6.182 2.127 1.00 0.00 H new ATOM 676 N LYS A 44 -8.329 -7.017 -4.668 1.00 0.00 N ATOM 677 CA LYS A 44 -9.533 -7.816 -4.992 1.00 0.00 C ATOM 678 C LYS A 44 -9.356 -9.215 -4.394 1.00 0.00 C ATOM 679 O LYS A 44 -8.255 -9.688 -4.231 1.00 0.00 O ATOM 680 CB LYS A 44 -9.716 -7.853 -6.529 1.00 0.00 C ATOM 681 CG LYS A 44 -9.653 -9.285 -7.095 1.00 0.00 C ATOM 682 CD LYS A 44 -11.035 -9.945 -7.018 1.00 0.00 C ATOM 683 CE LYS A 44 -12.035 -9.140 -7.847 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.453 -9.938 -9.035 1.00 0.00 N ATOM 0 H LYS A 44 -7.552 -7.115 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.434 -7.374 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.675 -7.405 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.943 -7.245 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.311 -9.260 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.928 -9.875 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.981 -10.969 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.366 -9.998 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.905 -8.887 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.585 -8.200 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.134 -9.390 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.619 -10.158 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.898 -10.823 -8.719 1.00 0.00 H new ATOM 698 N THR A 45 -10.419 -9.887 -4.065 1.00 0.00 N ATOM 699 CA THR A 45 -10.262 -11.247 -3.484 1.00 0.00 C ATOM 700 C THR A 45 -10.921 -12.279 -4.395 1.00 0.00 C ATOM 701 O THR A 45 -12.095 -12.203 -4.700 1.00 0.00 O ATOM 702 CB THR A 45 -10.916 -11.298 -2.103 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.914 -10.288 -2.014 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.858 -11.067 -1.026 1.00 0.00 C ATOM 0 H THR A 45 -11.379 -9.560 -4.171 1.00 0.00 H new ATOM 0 HA THR A 45 -9.200 -11.473 -3.391 1.00 0.00 H new ATOM 0 HB THR A 45 -11.374 -12.276 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.335 -10.321 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.326 -11.104 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.095 -11.842 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.397 -10.090 -1.172 1.00 0.00 H new ATOM 712 N GLN A 46 -10.167 -13.250 -4.816 1.00 0.00 N ATOM 713 CA GLN A 46 -10.719 -14.315 -5.693 1.00 0.00 C ATOM 714 C GLN A 46 -10.013 -15.622 -5.340 1.00 0.00 C ATOM 715 O GLN A 46 -8.803 -15.702 -5.368 1.00 0.00 O ATOM 716 CB GLN A 46 -10.463 -13.963 -7.161 1.00 0.00 C ATOM 717 CG GLN A 46 -8.964 -13.768 -7.388 1.00 0.00 C ATOM 718 CD GLN A 46 -8.733 -12.515 -8.235 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.663 -11.958 -8.783 1.00 0.00 O ATOM 720 NE2 GLN A 46 -7.523 -12.045 -8.366 1.00 0.00 N ATOM 0 H GLN A 46 -9.178 -13.353 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.795 -14.412 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.838 -14.757 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.003 -13.054 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.450 -13.673 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.545 -14.641 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.742 -12.512 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.358 -11.210 -8.928 1.00 0.00 H new ATOM 729 N VAL A 47 -10.752 -16.635 -4.984 1.00 0.00 N ATOM 730 CA VAL A 47 -10.115 -17.929 -4.602 1.00 0.00 C ATOM 731 C VAL A 47 -9.227 -18.435 -5.727 1.00 0.00 C ATOM 732 O VAL A 47 -8.758 -17.675 -6.545 1.00 0.00 O ATOM 733 CB VAL A 47 -11.208 -18.953 -4.249 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.610 -19.762 -5.484 1.00 0.00 C ATOM 735 CG2 VAL A 47 -10.685 -19.902 -3.169 1.00 0.00 C ATOM 0 H VAL A 47 -11.771 -16.624 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.483 -17.779 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.083 -18.417 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.384 -20.480 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.993 -19.089 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.740 -20.294 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.458 -20.628 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.803 -20.424 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.421 -19.330 -2.279 1.00 0.00 H new ATOM 745 N VAL A 48 -8.962 -19.713 -5.739 1.00 0.00 N ATOM 746 CA VAL A 48 -8.070 -20.290 -6.779 1.00 0.00 C ATOM 747 C VAL A 48 -7.739 -21.728 -6.382 1.00 0.00 C ATOM 748 O VAL A 48 -7.909 -22.667 -7.133 1.00 0.00 O ATOM 749 CB VAL A 48 -6.785 -19.427 -6.831 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.598 -20.092 -6.122 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.419 -19.145 -8.287 1.00 0.00 C ATOM 0 H VAL A 48 -9.329 -20.386 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.543 -20.295 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.997 -18.497 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.724 -19.444 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.847 -20.258 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.378 -21.047 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.515 -18.538 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.245 -20.087 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.236 -18.609 -8.770 1.00 0.00 H new ATOM 761 N ALA A 49 -7.246 -21.860 -5.193 1.00 0.00 N ATOM 762 CA ALA A 49 -6.838 -23.181 -4.642 1.00 0.00 C ATOM 763 C ALA A 49 -6.116 -22.889 -3.332 1.00 0.00 C ATOM 764 O ALA A 49 -5.050 -23.399 -3.055 1.00 0.00 O ATOM 765 CB ALA A 49 -5.884 -23.882 -5.612 1.00 0.00 C ATOM 0 H ALA A 49 -7.102 -21.080 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.700 -23.831 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.591 -24.848 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.384 -24.032 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.997 -23.266 -5.759 1.00 0.00 H new ATOM 771 N GLY A 50 -6.695 -22.024 -2.555 1.00 0.00 N ATOM 772 CA GLY A 50 -6.091 -21.601 -1.265 1.00 0.00 C ATOM 773 C GLY A 50 -6.638 -20.211 -0.968 1.00 0.00 C ATOM 774 O GLY A 50 -6.918 -19.871 0.162 1.00 0.00 O ATOM 0 H GLY A 50 -7.588 -21.579 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.350 -22.298 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.003 -21.584 -1.333 1.00 0.00 H new ATOM 778 N THR A 51 -6.810 -19.438 -2.024 1.00 0.00 N ATOM 779 CA THR A 51 -7.375 -18.051 -1.947 1.00 0.00 C ATOM 780 C THR A 51 -6.428 -17.056 -2.626 1.00 0.00 C ATOM 781 O THR A 51 -5.410 -16.680 -2.074 1.00 0.00 O ATOM 782 CB THR A 51 -7.599 -17.613 -0.505 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.648 -18.384 0.069 1.00 0.00 O ATOM 784 CG2 THR A 51 -7.988 -16.137 -0.486 1.00 0.00 C ATOM 0 H THR A 51 -6.570 -19.729 -2.972 1.00 0.00 H new ATOM 0 HA THR A 51 -8.337 -18.065 -2.460 1.00 0.00 H new ATOM 0 HB THR A 51 -6.684 -17.762 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.272 -19.182 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.150 -15.817 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.188 -15.544 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.904 -15.995 -1.059 1.00 0.00 H new ATOM 792 N ASN A 52 -6.755 -16.624 -3.819 1.00 0.00 N ATOM 793 CA ASN A 52 -5.873 -15.650 -4.533 1.00 0.00 C ATOM 794 C ASN A 52 -6.154 -14.215 -4.062 1.00 0.00 C ATOM 795 O ASN A 52 -7.256 -13.880 -3.679 1.00 0.00 O ATOM 796 CB ASN A 52 -6.163 -15.723 -6.031 1.00 0.00 C ATOM 797 CG ASN A 52 -4.863 -15.560 -6.818 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.470 -14.457 -7.143 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.175 -16.619 -7.143 1.00 0.00 N ATOM 0 H ASN A 52 -7.593 -16.903 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.834 -15.904 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.629 -16.678 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.870 -14.942 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.307 -16.521 -7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.505 -17.545 -6.870 1.00 0.00 H new ATOM 806 N TYR A 53 -5.165 -13.357 -4.129 1.00 0.00 N ATOM 807 CA TYR A 53 -5.373 -11.930 -3.733 1.00 0.00 C ATOM 808 C TYR A 53 -4.738 -11.032 -4.796 1.00 0.00 C ATOM 809 O TYR A 53 -3.624 -11.251 -5.225 1.00 0.00 O ATOM 810 CB TYR A 53 -4.718 -11.617 -2.382 1.00 0.00 C ATOM 811 CG TYR A 53 -5.231 -12.547 -1.307 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.601 -12.599 -1.026 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.336 -13.335 -0.573 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.075 -13.438 -0.010 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.810 -14.177 0.439 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.180 -14.228 0.721 1.00 0.00 C ATOM 817 OH TYR A 53 -6.645 -15.050 1.726 1.00 0.00 O ATOM 0 H TYR A 53 -4.221 -13.585 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.445 -11.752 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.636 -11.714 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.925 -10.584 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.292 -11.992 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.279 -13.293 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.132 -13.476 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.119 -14.787 1.002 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.892 -15.529 2.131 1.00 0.00 H new ATOM 827 N TYR A 54 -5.442 -10.023 -5.219 1.00 0.00 N ATOM 828 CA TYR A 54 -4.895 -9.097 -6.252 1.00 0.00 C ATOM 829 C TYR A 54 -4.690 -7.718 -5.621 1.00 0.00 C ATOM 830 O TYR A 54 -5.571 -6.887 -5.640 1.00 0.00 O ATOM 831 CB TYR A 54 -5.906 -8.987 -7.394 1.00 0.00 C ATOM 832 CG TYR A 54 -5.183 -8.956 -8.718 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.701 -10.143 -9.281 1.00 0.00 C ATOM 834 CD2 TYR A 54 -4.999 -7.739 -9.386 1.00 0.00 C ATOM 835 CE1 TYR A 54 -4.033 -10.115 -10.511 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.331 -7.711 -10.617 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.848 -8.898 -11.179 1.00 0.00 C ATOM 838 OH TYR A 54 -3.189 -8.870 -12.391 1.00 0.00 O ATOM 0 H TYR A 54 -6.381 -9.796 -4.892 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.945 -9.471 -6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.594 -9.832 -7.365 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.505 -8.084 -7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.844 -11.082 -8.766 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.372 -6.823 -8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.661 -11.031 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.189 -6.773 -11.133 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.147 -7.948 -12.719 1.00 0.00 H new ATOM 848 N ILE A 55 -3.552 -7.466 -5.038 1.00 0.00 N ATOM 849 CA ILE A 55 -3.348 -6.145 -4.390 1.00 0.00 C ATOM 850 C ILE A 55 -2.659 -5.175 -5.338 1.00 0.00 C ATOM 851 O ILE A 55 -1.449 -5.083 -5.383 1.00 0.00 O ATOM 852 CB ILE A 55 -2.498 -6.329 -3.127 1.00 0.00 C ATOM 853 CG1 ILE A 55 -3.353 -6.940 -2.008 1.00 0.00 C ATOM 854 CG2 ILE A 55 -1.964 -4.971 -2.662 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.226 -8.065 -2.568 1.00 0.00 C ATOM 0 H ILE A 55 -2.763 -8.111 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.321 -5.729 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.665 -6.994 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.709 -7.327 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.981 -6.171 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.360 -5.105 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.351 -4.532 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.800 -4.308 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.828 -8.492 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.882 -7.666 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.590 -8.840 -2.996 1.00 0.00 H new ATOM 867 N LYS A 56 -3.426 -4.407 -6.054 1.00 0.00 N ATOM 868 CA LYS A 56 -2.829 -3.396 -6.951 1.00 0.00 C ATOM 869 C LYS A 56 -2.403 -2.239 -6.054 1.00 0.00 C ATOM 870 O LYS A 56 -3.234 -1.569 -5.475 1.00 0.00 O ATOM 871 CB LYS A 56 -3.886 -2.927 -7.945 1.00 0.00 C ATOM 872 CG LYS A 56 -3.264 -1.928 -8.925 1.00 0.00 C ATOM 873 CD LYS A 56 -4.273 -1.594 -10.025 1.00 0.00 C ATOM 874 CE LYS A 56 -3.645 -1.861 -11.395 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.175 -0.883 -12.388 1.00 0.00 N ATOM 0 H LYS A 56 -4.445 -4.439 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.983 -3.791 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.292 -3.780 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.717 -2.462 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.971 -1.020 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.359 -2.348 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.173 -2.197 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.576 -0.550 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.560 -1.778 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.868 -2.878 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.062 -1.267 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.183 -0.710 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.650 0.011 -12.309 1.00 0.00 H new ATOM 889 N VAL A 57 -1.134 -2.014 -5.889 1.00 0.00 N ATOM 890 CA VAL A 57 -0.722 -0.914 -4.970 1.00 0.00 C ATOM 891 C VAL A 57 -0.689 0.424 -5.720 1.00 0.00 C ATOM 892 O VAL A 57 -0.326 0.506 -6.876 1.00 0.00 O ATOM 893 CB VAL A 57 0.637 -1.227 -4.299 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.342 -2.387 -4.994 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.531 0.008 -4.319 1.00 0.00 C ATOM 0 H VAL A 57 -0.376 -2.529 -6.337 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.462 -0.834 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 57 0.442 -1.515 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.294 -2.583 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.716 -3.278 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.521 -2.131 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.484 -0.225 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.705 0.315 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.044 0.819 -3.777 1.00 0.00 H new ATOM 905 N ARG A 58 -1.086 1.467 -5.045 1.00 0.00 N ATOM 906 CA ARG A 58 -1.114 2.824 -5.659 1.00 0.00 C ATOM 907 C ARG A 58 0.216 3.534 -5.412 1.00 0.00 C ATOM 908 O ARG A 58 0.743 3.508 -4.314 1.00 0.00 O ATOM 909 CB ARG A 58 -2.285 3.602 -5.009 1.00 0.00 C ATOM 910 CG ARG A 58 -1.842 4.907 -4.317 1.00 0.00 C ATOM 911 CD ARG A 58 -2.565 5.056 -2.976 1.00 0.00 C ATOM 912 NE ARG A 58 -3.980 4.627 -3.129 1.00 0.00 N ATOM 913 CZ ARG A 58 -4.906 5.150 -2.373 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.839 5.020 -1.077 1.00 0.00 N ATOM 915 NH2 ARG A 58 -5.904 5.798 -2.914 1.00 0.00 N ATOM 0 H ARG A 58 -1.398 1.435 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.259 2.763 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.024 3.838 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.777 2.960 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.763 4.898 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.063 5.761 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.071 4.453 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.522 6.092 -2.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.227 3.924 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.063 4.510 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.562 5.429 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.959 5.895 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.627 6.207 -2.322 1.00 0.00 H new ATOM 929 N ALA A 59 0.743 4.211 -6.395 1.00 0.00 N ATOM 930 CA ALA A 59 2.002 4.944 -6.162 1.00 0.00 C ATOM 931 C ALA A 59 1.820 6.384 -6.626 1.00 0.00 C ATOM 932 O ALA A 59 2.763 7.052 -6.972 1.00 0.00 O ATOM 933 CB ALA A 59 3.136 4.282 -6.934 1.00 0.00 C ATOM 0 H ALA A 59 0.356 4.284 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 59 2.252 4.929 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.063 4.828 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.252 3.252 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.906 4.292 -7.999 1.00 0.00 H new ATOM 939 N GLY A 60 0.613 6.880 -6.618 1.00 0.00 N ATOM 940 CA GLY A 60 0.411 8.294 -7.042 1.00 0.00 C ATOM 941 C GLY A 60 -0.441 8.341 -8.311 1.00 0.00 C ATOM 942 O GLY A 60 -1.198 7.435 -8.598 1.00 0.00 O ATOM 0 H GLY A 60 -0.230 6.377 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.077 8.855 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.375 8.770 -7.223 1.00 0.00 H new ATOM 946 N ASP A 61 -0.320 9.392 -9.076 1.00 0.00 N ATOM 947 CA ASP A 61 -1.119 9.500 -10.329 1.00 0.00 C ATOM 948 C ASP A 61 -0.244 9.114 -11.525 1.00 0.00 C ATOM 949 O ASP A 61 -0.705 9.050 -12.649 1.00 0.00 O ATOM 950 CB ASP A 61 -1.609 10.937 -10.498 1.00 0.00 C ATOM 951 CG ASP A 61 -2.851 10.951 -11.391 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.929 10.116 -12.277 1.00 0.00 O ATOM 953 OD2 ASP A 61 -3.704 11.797 -11.175 1.00 0.00 O ATOM 0 H ASP A 61 0.298 10.181 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.976 8.829 -10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.843 11.370 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.824 11.551 -10.939 1.00 0.00 H new ATOM 958 N ASN A 62 1.015 8.857 -11.295 1.00 0.00 N ATOM 959 CA ASN A 62 1.917 8.477 -12.413 1.00 0.00 C ATOM 960 C ASN A 62 2.665 7.191 -12.053 1.00 0.00 C ATOM 961 O ASN A 62 2.948 6.369 -12.902 1.00 0.00 O ATOM 962 CB ASN A 62 2.925 9.603 -12.682 1.00 0.00 C ATOM 963 CG ASN A 62 3.052 10.499 -11.447 1.00 0.00 C ATOM 964 OD1 ASN A 62 2.259 11.399 -11.252 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.020 10.288 -10.599 1.00 0.00 N ATOM 0 H ASN A 62 1.457 8.895 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 62 1.322 8.312 -13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.897 9.179 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.602 10.194 -13.539 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.111 10.878 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.686 9.533 -10.763 1.00 0.00 H new ATOM 972 N LYS A 63 2.975 7.003 -10.800 1.00 0.00 N ATOM 973 CA LYS A 63 3.690 5.765 -10.386 1.00 0.00 C ATOM 974 C LYS A 63 2.639 4.728 -9.961 1.00 0.00 C ATOM 975 O LYS A 63 1.534 5.073 -9.572 1.00 0.00 O ATOM 976 CB LYS A 63 4.643 6.096 -9.234 1.00 0.00 C ATOM 977 CG LYS A 63 5.633 7.171 -9.683 1.00 0.00 C ATOM 978 CD LYS A 63 5.588 8.342 -8.700 1.00 0.00 C ATOM 979 CE LYS A 63 6.917 9.099 -8.747 1.00 0.00 C ATOM 980 NZ LYS A 63 6.660 10.533 -9.055 1.00 0.00 N ATOM 0 H LYS A 63 2.763 7.655 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 63 4.282 5.358 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.078 6.445 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.180 5.200 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.641 6.758 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.384 7.514 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.766 9.012 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.401 7.976 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.434 9.008 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.569 8.664 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.386 11.122 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.692 10.678 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.721 10.802 -8.697 1.00 0.00 H new ATOM 994 N TYR A 64 2.943 3.463 -10.045 1.00 0.00 N ATOM 995 CA TYR A 64 1.916 2.459 -9.679 1.00 0.00 C ATOM 996 C TYR A 64 2.583 1.105 -9.478 1.00 0.00 C ATOM 997 O TYR A 64 3.429 0.699 -10.248 1.00 0.00 O ATOM 998 CB TYR A 64 0.912 2.362 -10.830 1.00 0.00 C ATOM 999 CG TYR A 64 -0.466 2.747 -10.349 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -1.305 1.783 -9.780 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -0.902 4.071 -10.475 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.583 2.144 -9.336 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.180 4.432 -10.031 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.020 3.469 -9.462 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.281 3.824 -9.025 1.00 0.00 O ATOM 0 H TYR A 64 3.843 3.089 -10.346 1.00 0.00 H new ATOM 0 HA TYR A 64 1.412 2.751 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.217 3.017 -11.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.897 1.346 -11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.967 0.762 -9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.253 4.814 -10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.232 1.401 -8.896 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.517 5.453 -10.128 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.426 4.780 -9.185 1.00 0.00 H new ATOM 1015 N LEU A 65 2.208 0.398 -8.457 1.00 0.00 N ATOM 1016 CA LEU A 65 2.823 -0.928 -8.225 1.00 0.00 C ATOM 1017 C LEU A 65 1.750 -1.991 -8.246 1.00 0.00 C ATOM 1018 O LEU A 65 0.599 -1.725 -8.533 1.00 0.00 O ATOM 1019 CB LEU A 65 3.527 -0.945 -6.873 1.00 0.00 C ATOM 1020 CG LEU A 65 4.399 0.311 -6.755 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.581 1.434 -6.119 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.612 0.047 -5.859 1.00 0.00 C ATOM 0 H LEU A 65 1.504 0.680 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 65 3.552 -1.127 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.795 -0.973 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.141 -1.841 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 65 4.736 0.588 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.197 2.329 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.713 1.649 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.249 1.126 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.217 0.951 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.273 -0.241 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.211 -0.758 -6.285 1.00 0.00 H new ATOM 1034 N HIS A 66 2.101 -3.202 -7.943 1.00 0.00 N ATOM 1035 CA HIS A 66 1.076 -4.252 -7.962 1.00 0.00 C ATOM 1036 C HIS A 66 1.578 -5.512 -7.264 1.00 0.00 C ATOM 1037 O HIS A 66 2.761 -5.787 -7.202 1.00 0.00 O ATOM 1038 CB HIS A 66 0.741 -4.558 -9.408 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.627 -5.145 -9.468 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.656 -4.529 -10.143 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.161 -6.275 -8.910 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.751 -5.279 -9.976 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.507 -6.360 -9.232 1.00 0.00 N ATOM 0 H HIS A 66 3.042 -3.501 -7.687 1.00 0.00 H new ATOM 0 HA HIS A 66 0.189 -3.908 -7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.789 -3.649 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.469 -5.253 -9.825 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.617 -6.991 -8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.718 -5.038 -10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.166 -7.089 -8.960 1.00 0.00 H new ATOM 1051 N LEU A 67 0.668 -6.270 -6.734 1.00 0.00 N ATOM 1052 CA LEU A 67 1.026 -7.518 -6.018 1.00 0.00 C ATOM 1053 C LEU A 67 -0.131 -8.492 -6.110 1.00 0.00 C ATOM 1054 O LEU A 67 -1.264 -8.125 -6.342 1.00 0.00 O ATOM 1055 CB LEU A 67 1.230 -7.197 -4.547 1.00 0.00 C ATOM 1056 CG LEU A 67 1.316 -8.493 -3.733 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.588 -9.247 -4.089 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.347 -8.129 -2.252 1.00 0.00 C ATOM 0 H LEU A 67 -0.332 -6.072 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 67 1.928 -7.943 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.142 -6.615 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.406 -6.583 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 67 0.456 -9.125 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.641 -10.167 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.581 -9.491 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.455 -8.625 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.408 -9.039 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.216 -7.503 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.439 -7.585 -1.992 1.00 0.00 H new ATOM 1070 N LYS A 68 0.153 -9.721 -5.868 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.876 -10.746 -5.856 1.00 0.00 C ATOM 1072 C LYS A 68 -0.612 -11.553 -4.629 1.00 0.00 C ATOM 1073 O LYS A 68 0.278 -12.385 -4.637 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.662 -11.653 -7.015 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.898 -12.506 -7.259 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.828 -13.732 -6.345 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.299 -14.954 -7.104 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.774 -14.925 -8.517 1.00 0.00 N ATOM 0 H LYS A 68 1.094 -10.063 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.876 -10.314 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.435 -11.067 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.199 -12.295 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.801 -11.932 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.946 -12.814 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.180 -13.519 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.818 -13.949 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.209 -14.964 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.637 -15.869 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.696 -15.877 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.767 -14.617 -8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.191 -14.261 -9.066 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.318 -11.337 -3.577 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.013 -12.141 -2.395 1.00 0.00 C ATOM 1094 C VAL A 69 -1.738 -13.476 -2.520 1.00 0.00 C ATOM 1095 O VAL A 69 -2.906 -13.531 -2.844 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.439 -11.411 -1.120 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.820 -12.101 0.098 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.957 -9.962 -1.182 1.00 0.00 C ATOM 0 H VAL A 69 -2.073 -10.657 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 69 0.062 -12.310 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.525 -11.433 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.125 -11.580 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.161 -13.135 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.267 -12.080 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.259 -9.439 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.130 -9.943 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.397 -9.469 -2.049 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.063 -14.557 -2.309 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.747 -15.859 -2.462 1.00 0.00 C ATOM 1110 C PHE A 70 -1.389 -16.786 -1.307 1.00 0.00 C ATOM 1111 O PHE A 70 -0.251 -17.151 -1.128 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.302 -16.481 -3.778 1.00 0.00 C ATOM 1113 CG PHE A 70 -1.870 -17.870 -3.881 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.229 -18.081 -3.627 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.044 -18.942 -4.224 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.764 -19.371 -3.718 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -1.576 -20.233 -4.316 1.00 0.00 C ATOM 1118 CZ PHE A 70 -2.937 -20.449 -4.063 1.00 0.00 C ATOM 0 H PHE A 70 -0.080 -14.599 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.827 -15.710 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.642 -15.872 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.214 -16.515 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.865 -17.250 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.005 -18.775 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.813 -19.536 -3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.938 -21.063 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.349 -21.445 -4.134 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.355 -17.189 -0.538 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.061 -18.113 0.588 1.00 0.00 C ATOM 1130 C LYS A 71 -2.158 -19.538 0.056 1.00 0.00 C ATOM 1131 O LYS A 71 -3.109 -20.251 0.316 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.079 -17.904 1.712 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.595 -16.786 2.637 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.163 -17.000 4.042 1.00 0.00 C ATOM 1135 CE LYS A 71 -4.063 -15.823 4.416 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.563 -15.195 5.672 1.00 0.00 N ATOM 0 H LYS A 71 -3.334 -16.920 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.065 -17.923 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.052 -17.648 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.208 -18.827 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.506 -16.775 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.911 -15.817 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.730 -17.930 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.351 -17.093 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.075 -15.090 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.089 -16.165 4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.175 -14.394 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.574 -15.897 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.591 -14.855 5.527 1.00 0.00 H new ATOM 1150 N SER A 72 -1.181 -19.940 -0.713 1.00 0.00 N ATOM 1151 CA SER A 72 -1.183 -21.304 -1.310 1.00 0.00 C ATOM 1152 C SER A 72 -1.798 -22.312 -0.342 1.00 0.00 C ATOM 1153 O SER A 72 -1.203 -22.696 0.647 1.00 0.00 O ATOM 1154 CB SER A 72 0.252 -21.718 -1.635 1.00 0.00 C ATOM 1155 OG SER A 72 0.405 -21.810 -3.046 1.00 0.00 O ATOM 0 H SER A 72 -0.370 -19.371 -0.955 1.00 0.00 H new ATOM 0 HA SER A 72 -1.779 -21.287 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.954 -20.990 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.481 -22.677 -1.169 1.00 0.00 H new ATOM 0 HG SER A 72 0.253 -20.930 -3.450 1.00 0.00 H new ATOM 1161 N LEU A 73 -2.984 -22.750 -0.640 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.669 -23.745 0.220 1.00 0.00 C ATOM 1163 C LEU A 73 -4.647 -24.537 -0.651 1.00 0.00 C ATOM 1164 O LEU A 73 -5.830 -24.561 -0.388 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.425 -23.013 1.331 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.293 -24.004 2.106 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -5.041 -23.839 3.606 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.766 -23.725 1.809 1.00 0.00 C ATOM 0 H LEU A 73 -3.517 -22.455 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.948 -24.424 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.719 -22.529 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.048 -22.227 0.903 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.043 -25.021 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.660 -24.546 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.990 -24.031 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.293 -22.822 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.388 -24.430 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.012 -22.708 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.949 -23.838 0.740 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.120 -25.147 -1.687 1.00 0.00 N ATOM 1181 CA PRO A 74 -4.928 -25.934 -2.634 1.00 0.00 C ATOM 1182 C PRO A 74 -5.189 -27.336 -2.073 1.00 0.00 C ATOM 1183 O PRO A 74 -4.949 -28.330 -2.729 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.039 -26.009 -3.879 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.586 -25.804 -3.387 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.679 -25.104 -2.020 1.00 0.00 C ATOM 0 HA PRO A 74 -5.906 -25.496 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.149 -26.972 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.317 -25.242 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.069 -26.759 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.019 -25.199 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.081 -25.618 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.313 -24.079 -2.072 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.676 -27.428 -0.865 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.946 -28.765 -0.269 1.00 0.00 C ATOM 1196 C GLY A 75 -4.707 -29.258 0.483 1.00 0.00 C ATOM 1197 O GLY A 75 -4.806 -29.851 1.539 1.00 0.00 O ATOM 0 H GLY A 75 -5.898 -26.633 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.796 -28.705 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.214 -29.475 -1.052 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.540 -29.021 -0.051 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.298 -29.482 0.635 1.00 0.00 C ATOM 1203 C GLN A 76 -1.847 -28.436 1.656 1.00 0.00 C ATOM 1204 O GLN A 76 -1.323 -28.762 2.702 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.190 -29.696 -0.399 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.212 -30.756 0.113 1.00 0.00 C ATOM 1207 CD GLN A 76 0.358 -31.540 -1.069 1.00 0.00 C ATOM 1208 OE1 GLN A 76 0.776 -32.672 -0.918 1.00 0.00 O ATOM 1209 NE2 GLN A 76 0.397 -30.985 -2.251 1.00 0.00 N ATOM 0 H GLN A 76 -3.392 -28.529 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.503 -30.421 1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.621 -30.012 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.664 -28.759 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.595 -30.282 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.720 -31.433 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.047 -30.036 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.777 -31.501 -3.044 1.00 0.00 H new ATOM 1218 N ASN A 77 -2.040 -27.182 1.360 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.615 -26.120 2.315 1.00 0.00 C ATOM 1220 C ASN A 77 -0.123 -26.274 2.612 1.00 0.00 C ATOM 1221 O ASN A 77 0.269 -26.755 3.656 1.00 0.00 O ATOM 1222 CB ASN A 77 -2.414 -26.246 3.615 1.00 0.00 C ATOM 1223 CG ASN A 77 -2.009 -25.127 4.578 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -1.976 -25.325 5.776 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.700 -23.951 4.103 1.00 0.00 N ATOM 0 H ASN A 77 -2.473 -26.846 0.500 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.800 -25.140 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.482 -26.189 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.231 -27.218 4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.431 -23.199 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.727 -23.784 3.097 1.00 0.00 H new ATOM 1232 N GLU A 78 0.712 -25.865 1.695 1.00 0.00 N ATOM 1233 CA GLU A 78 2.181 -25.981 1.914 1.00 0.00 C ATOM 1234 C GLU A 78 2.844 -24.634 1.615 1.00 0.00 C ATOM 1235 O GLU A 78 3.436 -24.443 0.572 1.00 0.00 O ATOM 1236 CB GLU A 78 2.753 -27.051 0.980 1.00 0.00 C ATOM 1237 CG GLU A 78 1.901 -28.319 1.074 1.00 0.00 C ATOM 1238 CD GLU A 78 2.212 -29.047 2.383 1.00 0.00 C ATOM 1239 OE1 GLU A 78 2.752 -28.413 3.276 1.00 0.00 O ATOM 1240 OE2 GLU A 78 1.905 -30.224 2.473 1.00 0.00 O ATOM 0 H GLU A 78 0.439 -25.455 0.802 1.00 0.00 H new ATOM 0 HA GLU A 78 2.376 -26.262 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.766 -26.684 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.785 -27.272 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.842 -28.063 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.106 -28.971 0.225 1.00 0.00 H new ATOM 1247 N ASP A 79 2.743 -23.701 2.524 1.00 0.00 N ATOM 1248 CA ASP A 79 3.363 -22.360 2.304 1.00 0.00 C ATOM 1249 C ASP A 79 2.459 -21.519 1.399 1.00 0.00 C ATOM 1250 O ASP A 79 1.529 -22.019 0.795 1.00 0.00 O ATOM 1251 CB ASP A 79 4.733 -22.528 1.643 1.00 0.00 C ATOM 1252 CG ASP A 79 5.698 -21.474 2.191 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.546 -21.103 3.343 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.574 -21.060 1.449 1.00 0.00 O ATOM 0 H ASP A 79 2.256 -23.810 3.413 1.00 0.00 H new ATOM 0 HA ASP A 79 3.484 -21.858 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.122 -23.528 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.642 -22.425 0.562 1.00 0.00 H new ATOM 1259 N LEU A 80 2.722 -20.244 1.299 1.00 0.00 N ATOM 1260 CA LEU A 80 1.877 -19.372 0.437 1.00 0.00 C ATOM 1261 C LEU A 80 2.565 -19.128 -0.896 1.00 0.00 C ATOM 1262 O LEU A 80 3.263 -19.978 -1.414 1.00 0.00 O ATOM 1263 CB LEU A 80 1.603 -18.047 1.145 1.00 0.00 C ATOM 1264 CG LEU A 80 2.870 -17.200 1.177 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.492 -15.723 1.063 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.587 -17.454 2.497 1.00 0.00 C ATOM 0 H LEU A 80 3.487 -19.769 1.778 1.00 0.00 H new ATOM 0 HA LEU A 80 0.927 -19.872 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.808 -17.508 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.255 -18.233 2.161 1.00 0.00 H new ATOM 0 HG LEU A 80 3.525 -17.463 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.395 -15.113 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.964 -15.554 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.847 -15.447 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.497 -16.856 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.934 -17.178 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.844 -18.511 2.574 1.00 0.00 H new ATOM 1278 N VAL A 81 2.340 -17.987 -1.468 1.00 0.00 N ATOM 1279 CA VAL A 81 2.934 -17.679 -2.790 1.00 0.00 C ATOM 1280 C VAL A 81 2.483 -16.278 -3.207 1.00 0.00 C ATOM 1281 O VAL A 81 1.459 -15.791 -2.769 1.00 0.00 O ATOM 1282 CB VAL A 81 2.420 -18.741 -3.776 1.00 0.00 C ATOM 1283 CG1 VAL A 81 2.122 -18.127 -5.152 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.472 -19.840 -3.941 1.00 0.00 C ATOM 0 H VAL A 81 1.763 -17.245 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 81 4.024 -17.697 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 81 1.497 -19.156 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.760 -18.903 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.361 -17.353 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.033 -17.688 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.106 -20.592 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.395 -19.406 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.665 -20.306 -2.975 1.00 0.00 H new ATOM 1294 N LEU A 82 3.221 -15.632 -4.062 1.00 0.00 N ATOM 1295 CA LEU A 82 2.813 -14.287 -4.510 1.00 0.00 C ATOM 1296 C LEU A 82 3.117 -14.139 -5.981 1.00 0.00 C ATOM 1297 O LEU A 82 4.044 -13.462 -6.375 1.00 0.00 O ATOM 1298 CB LEU A 82 3.555 -13.210 -3.734 1.00 0.00 C ATOM 1299 CG LEU A 82 2.614 -12.656 -2.683 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.555 -13.616 -1.491 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.111 -11.287 -2.220 1.00 0.00 C ATOM 0 H LEU A 82 4.089 -15.983 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 82 1.744 -14.170 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.448 -13.625 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.886 -12.417 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 82 1.616 -12.550 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.878 -13.217 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.193 -14.589 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.551 -13.727 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.433 -10.890 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.110 -11.387 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.145 -10.606 -3.070 1.00 0.00 H new ATOM 1313 N THR A 83 2.320 -14.744 -6.800 1.00 0.00 N ATOM 1314 CA THR A 83 2.540 -14.614 -8.254 1.00 0.00 C ATOM 1315 C THR A 83 2.527 -13.126 -8.618 1.00 0.00 C ATOM 1316 O THR A 83 2.872 -12.752 -9.720 1.00 0.00 O ATOM 1317 CB THR A 83 1.432 -15.337 -9.009 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.877 -16.352 -8.186 1.00 0.00 O ATOM 1319 CG2 THR A 83 2.000 -15.965 -10.284 1.00 0.00 C ATOM 0 H THR A 83 1.526 -15.323 -6.526 1.00 0.00 H new ATOM 0 HA THR A 83 3.498 -15.056 -8.526 1.00 0.00 H new ATOM 0 HB THR A 83 0.654 -14.622 -9.275 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.279 -16.916 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.204 -16.481 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.419 -15.184 -10.919 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.782 -16.678 -10.021 1.00 0.00 H new ATOM 1327 N GLY A 84 2.134 -12.261 -7.702 1.00 0.00 N ATOM 1328 CA GLY A 84 2.118 -10.812 -8.039 1.00 0.00 C ATOM 1329 C GLY A 84 3.208 -10.095 -7.256 1.00 0.00 C ATOM 1330 O GLY A 84 3.511 -10.445 -6.136 1.00 0.00 O ATOM 0 H GLY A 84 1.831 -12.499 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.275 -10.675 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.144 -10.384 -7.802 1.00 0.00 H new ATOM 1334 N TYR A 85 3.788 -9.085 -7.841 1.00 0.00 N ATOM 1335 CA TYR A 85 4.856 -8.315 -7.148 1.00 0.00 C ATOM 1336 C TYR A 85 5.461 -7.319 -8.135 1.00 0.00 C ATOM 1337 O TYR A 85 6.003 -7.697 -9.154 1.00 0.00 O ATOM 1338 CB TYR A 85 5.955 -9.256 -6.640 1.00 0.00 C ATOM 1339 CG TYR A 85 6.671 -9.897 -7.808 1.00 0.00 C ATOM 1340 CD1 TYR A 85 5.997 -10.800 -8.642 1.00 0.00 C ATOM 1341 CD2 TYR A 85 8.015 -9.591 -8.054 1.00 0.00 C ATOM 1342 CE1 TYR A 85 6.666 -11.394 -9.719 1.00 0.00 C ATOM 1343 CE2 TYR A 85 8.684 -10.185 -9.130 1.00 0.00 C ATOM 1344 CZ TYR A 85 8.010 -11.086 -9.962 1.00 0.00 C ATOM 1345 OH TYR A 85 8.669 -11.672 -11.024 1.00 0.00 O ATOM 0 H TYR A 85 3.564 -8.757 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 85 4.424 -7.792 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.666 -8.701 -6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.520 -10.026 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.960 -11.038 -8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.536 -8.896 -7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.146 -12.089 -10.362 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.721 -9.948 -9.318 1.00 0.00 H new ATOM 0 HH TYR A 85 9.594 -11.350 -11.053 1.00 0.00 H new ATOM 1355 N GLN A 86 5.375 -6.047 -7.854 1.00 0.00 N ATOM 1356 CA GLN A 86 5.953 -5.053 -8.810 1.00 0.00 C ATOM 1357 C GLN A 86 6.190 -3.706 -8.121 1.00 0.00 C ATOM 1358 O GLN A 86 5.533 -3.361 -7.157 1.00 0.00 O ATOM 1359 CB GLN A 86 4.994 -4.863 -9.987 1.00 0.00 C ATOM 1360 CG GLN A 86 5.534 -5.605 -11.213 1.00 0.00 C ATOM 1361 CD GLN A 86 6.968 -5.153 -11.498 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.898 -5.926 -11.376 1.00 0.00 O ATOM 1363 NE2 GLN A 86 7.191 -3.922 -11.870 1.00 0.00 N ATOM 0 H GLN A 86 4.938 -5.655 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 86 6.911 -5.431 -9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.005 -5.240 -9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.883 -3.802 -10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.509 -6.681 -11.039 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.901 -5.407 -12.078 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.412 -3.271 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.144 -3.611 -12.058 1.00 0.00 H new ATOM 1372 N VAL A 87 7.130 -2.944 -8.627 1.00 0.00 N ATOM 1373 CA VAL A 87 7.441 -1.615 -8.030 1.00 0.00 C ATOM 1374 C VAL A 87 6.597 -0.538 -8.722 1.00 0.00 C ATOM 1375 O VAL A 87 5.530 -0.814 -9.223 1.00 0.00 O ATOM 1376 CB VAL A 87 8.937 -1.321 -8.208 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.212 -0.809 -9.626 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.366 -0.267 -7.188 1.00 0.00 C ATOM 0 H VAL A 87 7.699 -3.192 -9.437 1.00 0.00 H new ATOM 0 HA VAL A 87 7.204 -1.617 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 87 9.504 -2.239 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.277 -0.604 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.909 -1.565 -10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.646 0.107 -9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.428 -0.054 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.792 0.646 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.184 -0.641 -6.180 1.00 0.00 H new ATOM 1388 N ASP A 88 7.049 0.689 -8.749 1.00 0.00 N ATOM 1389 CA ASP A 88 6.243 1.749 -9.394 1.00 0.00 C ATOM 1390 C ASP A 88 7.038 2.433 -10.517 1.00 0.00 C ATOM 1391 O ASP A 88 7.735 1.785 -11.270 1.00 0.00 O ATOM 1392 CB ASP A 88 5.836 2.775 -8.333 1.00 0.00 C ATOM 1393 CG ASP A 88 7.053 3.615 -7.936 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.160 3.126 -8.087 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.856 4.733 -7.488 1.00 0.00 O ATOM 0 H ASP A 88 7.938 0.995 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 88 5.353 1.303 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.047 3.420 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.431 2.267 -7.458 1.00 0.00 H new ATOM 1400 N LYS A 89 6.907 3.738 -10.642 1.00 0.00 N ATOM 1401 CA LYS A 89 7.620 4.491 -11.719 1.00 0.00 C ATOM 1402 C LYS A 89 6.734 4.519 -12.961 1.00 0.00 C ATOM 1403 O LYS A 89 6.488 5.561 -13.537 1.00 0.00 O ATOM 1404 CB LYS A 89 8.962 3.828 -12.049 1.00 0.00 C ATOM 1405 CG LYS A 89 10.015 4.909 -12.301 1.00 0.00 C ATOM 1406 CD LYS A 89 9.704 5.636 -13.611 1.00 0.00 C ATOM 1407 CE LYS A 89 10.618 6.856 -13.745 1.00 0.00 C ATOM 1408 NZ LYS A 89 10.217 7.890 -12.749 1.00 0.00 N ATOM 0 H LYS A 89 6.328 4.316 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 89 7.821 5.506 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.275 3.185 -11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.860 3.193 -12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.027 5.619 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.007 4.460 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.850 4.964 -14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.659 5.947 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.656 6.565 -13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.553 7.263 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.540 8.825 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.182 7.896 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.649 7.672 -11.829 1.00 0.00 H new ATOM 1422 N ASN A 90 6.237 3.382 -13.362 1.00 0.00 N ATOM 1423 CA ASN A 90 5.343 3.324 -14.554 1.00 0.00 C ATOM 1424 C ASN A 90 5.311 1.896 -15.095 1.00 0.00 C ATOM 1425 O ASN A 90 5.259 1.671 -16.289 1.00 0.00 O ATOM 1426 CB ASN A 90 5.854 4.270 -15.643 1.00 0.00 C ATOM 1427 CG ASN A 90 7.381 4.196 -15.711 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.058 5.189 -15.537 1.00 0.00 O ATOM 1429 ND2 ASN A 90 7.955 3.050 -15.959 1.00 0.00 N ATOM 0 H ASN A 90 6.413 2.484 -12.912 1.00 0.00 H new ATOM 0 HA ASN A 90 4.339 3.630 -14.261 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.423 3.998 -16.607 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.538 5.291 -15.429 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.972 2.989 -16.007 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.386 2.216 -16.105 1.00 0.00 H new ATOM 1436 N LYS A 91 5.328 0.929 -14.224 1.00 0.00 N ATOM 1437 CA LYS A 91 5.284 -0.486 -14.677 1.00 0.00 C ATOM 1438 C LYS A 91 3.869 -1.011 -14.483 1.00 0.00 C ATOM 1439 O LYS A 91 3.309 -1.660 -15.345 1.00 0.00 O ATOM 1440 CB LYS A 91 6.262 -1.324 -13.854 1.00 0.00 C ATOM 1441 CG LYS A 91 7.679 -1.119 -14.387 1.00 0.00 C ATOM 1442 CD LYS A 91 8.501 -0.338 -13.360 1.00 0.00 C ATOM 1443 CE LYS A 91 9.993 -0.553 -13.629 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.616 0.740 -14.030 1.00 0.00 N ATOM 0 H LYS A 91 5.371 1.059 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 91 5.566 -0.550 -15.728 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.211 -1.035 -12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.990 -2.378 -13.908 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.147 -2.083 -14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.649 -0.577 -15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.260 0.723 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.251 -0.668 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.482 -0.943 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.129 -1.294 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.629 0.595 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.156 1.094 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.498 1.434 -13.265 1.00 0.00 H new ATOM 1458 N ASP A 92 3.273 -0.718 -13.360 1.00 0.00 N ATOM 1459 CA ASP A 92 1.879 -1.184 -13.123 1.00 0.00 C ATOM 1460 C ASP A 92 0.909 -0.164 -13.725 1.00 0.00 C ATOM 1461 O ASP A 92 -0.276 -0.185 -13.457 1.00 0.00 O ATOM 1462 CB ASP A 92 1.627 -1.309 -11.618 1.00 0.00 C ATOM 1463 CG ASP A 92 0.173 -1.718 -11.377 1.00 0.00 C ATOM 1464 OD1 ASP A 92 -0.281 -2.636 -12.038 1.00 0.00 O ATOM 1465 OD2 ASP A 92 -0.462 -1.105 -10.534 1.00 0.00 O ATOM 0 H ASP A 92 3.689 -0.179 -12.600 1.00 0.00 H new ATOM 0 HA ASP A 92 1.729 -2.157 -13.590 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.301 -2.049 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.836 -0.360 -11.123 1.00 0.00 H new ATOM 1470 N ASP A 93 1.406 0.732 -14.537 1.00 0.00 N ATOM 1471 CA ASP A 93 0.518 1.756 -15.155 1.00 0.00 C ATOM 1472 C ASP A 93 -0.662 1.067 -15.845 1.00 0.00 C ATOM 1473 O ASP A 93 -0.490 0.318 -16.785 1.00 0.00 O ATOM 1474 CB ASP A 93 1.307 2.562 -16.187 1.00 0.00 C ATOM 1475 CG ASP A 93 0.393 3.609 -16.827 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.692 3.241 -17.247 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.792 4.760 -16.884 1.00 0.00 O ATOM 0 H ASP A 93 2.390 0.797 -14.798 1.00 0.00 H new ATOM 0 HA ASP A 93 0.145 2.423 -14.378 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.157 3.049 -15.710 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.708 1.898 -16.953 1.00 0.00 H new ATOM 1482 N GLU A 94 -1.856 1.318 -15.386 1.00 0.00 N ATOM 1483 CA GLU A 94 -3.045 0.680 -16.017 1.00 0.00 C ATOM 1484 C GLU A 94 -4.318 1.261 -15.399 1.00 0.00 C ATOM 1485 O GLU A 94 -4.997 0.614 -14.627 1.00 0.00 O ATOM 1486 CB GLU A 94 -3.003 -0.829 -15.777 1.00 0.00 C ATOM 1487 CG GLU A 94 -2.426 -1.524 -17.011 1.00 0.00 C ATOM 1488 CD GLU A 94 -3.390 -2.613 -17.482 1.00 0.00 C ATOM 1489 OE1 GLU A 94 -4.442 -2.264 -17.995 1.00 0.00 O ATOM 1490 OE2 GLU A 94 -3.065 -3.777 -17.321 1.00 0.00 O ATOM 0 H GLU A 94 -2.060 1.937 -14.601 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.038 0.875 -17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.393 -1.052 -14.902 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.006 -1.204 -15.571 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.264 -0.798 -17.808 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.455 -1.960 -16.775 1.00 0.00 H new ATOM 1497 N LEU A 95 -4.646 2.480 -15.732 1.00 0.00 N ATOM 1498 CA LEU A 95 -5.872 3.105 -15.161 1.00 0.00 C ATOM 1499 C LEU A 95 -7.103 2.299 -15.578 1.00 0.00 C ATOM 1500 O LEU A 95 -7.726 2.573 -16.585 1.00 0.00 O ATOM 1501 CB LEU A 95 -6.001 4.538 -15.679 1.00 0.00 C ATOM 1502 CG LEU A 95 -5.795 5.519 -14.524 1.00 0.00 C ATOM 1503 CD1 LEU A 95 -4.891 6.664 -14.979 1.00 0.00 C ATOM 1504 CD2 LEU A 95 -7.151 6.080 -14.090 1.00 0.00 C ATOM 0 H LEU A 95 -4.118 3.070 -16.375 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.799 3.115 -14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.264 4.721 -16.461 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.984 4.687 -16.126 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.327 5.002 -13.686 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.745 7.362 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.926 6.264 -15.291 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.356 7.184 -15.817 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.009 6.780 -13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.616 6.597 -14.929 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.795 5.263 -13.765 1.00 0.00 H new ATOM 1516 N THR A 96 -7.463 1.308 -14.807 1.00 0.00 N ATOM 1517 CA THR A 96 -8.656 0.489 -15.154 1.00 0.00 C ATOM 1518 C THR A 96 -9.514 0.285 -13.904 1.00 0.00 C ATOM 1519 O THR A 96 -9.021 0.304 -12.793 1.00 0.00 O ATOM 1520 CB THR A 96 -8.204 -0.872 -15.690 1.00 0.00 C ATOM 1521 OG1 THR A 96 -7.306 -1.469 -14.764 1.00 0.00 O ATOM 1522 CG2 THR A 96 -7.506 -0.685 -17.039 1.00 0.00 C ATOM 0 H THR A 96 -6.981 1.032 -13.952 1.00 0.00 H new ATOM 0 HA THR A 96 -9.240 1.003 -15.917 1.00 0.00 H new ATOM 0 HB THR A 96 -9.071 -1.519 -15.821 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.466 -0.964 -14.751 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.185 -1.654 -17.420 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.198 -0.229 -17.747 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.637 -0.039 -16.913 1.00 0.00 H new ATOM 1530 N GLY A 97 -10.793 0.093 -14.073 1.00 0.00 N ATOM 1531 CA GLY A 97 -11.679 -0.110 -12.892 1.00 0.00 C ATOM 1532 C GLY A 97 -11.494 1.051 -11.912 1.00 0.00 C ATOM 1533 O GLY A 97 -11.810 2.184 -12.214 1.00 0.00 O ATOM 0 H GLY A 97 -11.263 0.068 -14.978 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.720 -0.169 -13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.441 -1.055 -12.403 1.00 0.00 H new ATOM 1537 N PHE A 98 -10.986 0.780 -10.742 1.00 0.00 N ATOM 1538 CA PHE A 98 -10.782 1.871 -9.747 1.00 0.00 C ATOM 1539 C PHE A 98 -9.663 2.797 -10.227 1.00 0.00 C ATOM 1540 O PHE A 98 -8.720 2.296 -10.815 1.00 0.00 O ATOM 1541 CB PHE A 98 -10.401 1.265 -8.395 1.00 0.00 C ATOM 1542 CG PHE A 98 -11.235 1.899 -7.306 1.00 0.00 C ATOM 1543 CD1 PHE A 98 -11.341 3.291 -7.229 1.00 0.00 C ATOM 1544 CD2 PHE A 98 -11.899 1.091 -6.376 1.00 0.00 C ATOM 1545 CE1 PHE A 98 -12.114 3.879 -6.221 1.00 0.00 C ATOM 1546 CE2 PHE A 98 -12.673 1.679 -5.367 1.00 0.00 C ATOM 1547 CZ PHE A 98 -12.780 3.072 -5.289 1.00 0.00 C ATOM 1548 OXT PHE A 98 -9.768 3.990 -9.996 1.00 0.00 O ATOM 0 H PHE A 98 -10.703 -0.149 -10.431 1.00 0.00 H new ATOM 0 HA PHE A 98 -11.704 2.442 -9.640 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.561 0.187 -8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.341 1.427 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -10.827 3.912 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.815 0.016 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -12.197 4.954 -6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -13.187 1.057 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.376 3.525 -4.511 1.00 0.00 H new TER 1558 PHE A 98