USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -135:sc= 0 (180deg=-0.0188) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -1.43 F(o=-4.1!,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ -118:sc= -1.32 (180deg=-4.56!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.749! USER MOD Single : A 21 GLN : amide:sc= -0.0679 K(o=-0.068,f=-2.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.2!) USER MOD Single : A 30 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.8!) USER MOD Single : A 31 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-6.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 131:sc= -0.192 (180deg=-1.31) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0958 K(o=-0.096,f=-2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -1.34 F(o=-2.2,f=-1.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.5) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.04 (180deg=-2.46!) USER MOD Single : A 55 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-4.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= -0.332 (180deg=-1.5!) USER MOD Single : A 63 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.7!) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.7 F(o=-3.5!,f=-1.7) USER MOD Single : A 66 GLN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 68 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.722) USER MOD Single : A 70 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 89:sc= 0.824 USER MOD Single : A 81 GLN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.636 -5.548 -8.139 1.00 0.00 N ATOM 60 CA GLY A 7 -12.801 -6.138 -6.822 1.00 0.00 C ATOM 61 C GLY A 7 -11.638 -5.763 -5.902 1.00 0.00 C ATOM 62 O GLY A 7 -11.809 -4.988 -4.963 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.740 -5.800 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.863 -7.223 -6.911 1.00 0.00 H new ATOM 66 N PRO A 8 -10.449 -6.346 -6.213 1.00 0.00 N ATOM 67 CA PRO A 8 -9.257 -6.081 -5.425 1.00 0.00 C ATOM 68 C PRO A 8 -8.695 -4.691 -5.732 1.00 0.00 C ATOM 69 O PRO A 8 -8.658 -4.274 -6.888 1.00 0.00 O ATOM 70 CB PRO A 8 -8.294 -7.202 -5.780 1.00 0.00 C ATOM 71 CG PRO A 8 -8.797 -7.786 -7.090 1.00 0.00 C ATOM 72 CD PRO A 8 -10.208 -7.269 -7.318 1.00 0.00 C ATOM 0 HA PRO A 8 -9.455 -6.068 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.277 -6.824 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.272 -7.960 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.145 -7.494 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.791 -8.875 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.294 -6.765 -8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.933 -8.083 -7.319 1.00 0.00 H new ATOM 80 N LYS A 9 -8.272 -4.013 -4.675 1.00 0.00 N ATOM 81 CA LYS A 9 -7.714 -2.678 -4.817 1.00 0.00 C ATOM 82 C LYS A 9 -6.210 -2.784 -5.078 1.00 0.00 C ATOM 83 O LYS A 9 -5.643 -3.875 -5.026 1.00 0.00 O ATOM 84 CB LYS A 9 -8.068 -1.818 -3.602 1.00 0.00 C ATOM 85 CG LYS A 9 -7.125 -2.107 -2.432 1.00 0.00 C ATOM 86 CD LYS A 9 -6.248 -0.892 -2.123 1.00 0.00 C ATOM 87 CE LYS A 9 -5.092 -1.273 -1.195 1.00 0.00 C ATOM 88 NZ LYS A 9 -4.472 -0.061 -0.615 1.00 0.00 N ATOM 0 H LYS A 9 -8.304 -4.362 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.152 -2.171 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.009 -0.763 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.097 -2.014 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.706 -2.375 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.495 -2.964 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.853 -0.478 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.851 -0.112 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.457 -1.920 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.345 -1.841 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.690 -0.337 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.107 0.542 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.184 0.466 -0.069 1.00 0.00 H new ATOM 102 N LYS A 10 -5.608 -1.637 -5.354 1.00 0.00 N ATOM 103 CA LYS A 10 -4.181 -1.587 -5.623 1.00 0.00 C ATOM 104 C LYS A 10 -3.422 -1.438 -4.303 1.00 0.00 C ATOM 105 O LYS A 10 -3.569 -0.434 -3.608 1.00 0.00 O ATOM 106 CB LYS A 10 -3.866 -0.489 -6.641 1.00 0.00 C ATOM 107 CG LYS A 10 -2.371 -0.455 -6.967 1.00 0.00 C ATOM 108 CD LYS A 10 -2.075 -1.211 -8.264 1.00 0.00 C ATOM 109 CE LYS A 10 -2.022 -0.254 -9.456 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.407 -0.918 -10.627 1.00 0.00 N ATOM 0 H LYS A 10 -6.082 -0.735 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.847 -2.519 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.437 -0.660 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.178 0.478 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.039 0.579 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.806 -0.898 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.125 -1.738 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.843 -1.966 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.029 0.080 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.448 0.634 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.379 -0.254 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.439 -1.215 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.970 -1.752 -10.889 1.00 0.00 H new ATOM 124 N PRO A 11 -2.605 -2.479 -3.989 1.00 0.00 N ATOM 125 CA PRO A 11 -1.822 -2.474 -2.765 1.00 0.00 C ATOM 126 C PRO A 11 -0.627 -1.526 -2.883 1.00 0.00 C ATOM 127 O PRO A 11 -0.365 -0.981 -3.954 1.00 0.00 O ATOM 128 CB PRO A 11 -1.414 -3.922 -2.553 1.00 0.00 C ATOM 129 CG PRO A 11 -1.585 -4.605 -3.900 1.00 0.00 C ATOM 130 CD PRO A 11 -2.405 -3.685 -4.788 1.00 0.00 C ATOM 0 HA PRO A 11 -2.384 -2.104 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.382 -3.991 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.036 -4.396 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.614 -4.806 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.086 -5.566 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.881 -3.462 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.356 -4.142 -5.060 1.00 0.00 H new ATOM 138 N PRO A 12 0.085 -1.354 -1.737 1.00 0.00 N ATOM 139 CA PRO A 12 1.247 -0.482 -1.701 1.00 0.00 C ATOM 140 C PRO A 12 2.446 -1.138 -2.389 1.00 0.00 C ATOM 141 O PRO A 12 2.287 -2.098 -3.140 1.00 0.00 O ATOM 142 CB PRO A 12 1.486 -0.205 -0.226 1.00 0.00 C ATOM 143 CG PRO A 12 0.744 -1.297 0.528 1.00 0.00 C ATOM 144 CD PRO A 12 -0.196 -1.983 -0.450 1.00 0.00 C ATOM 0 HA PRO A 12 1.092 0.449 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.551 -0.223 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.116 0.782 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.447 -2.015 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.184 -0.873 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.015 -3.057 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.238 -1.845 -0.161 1.00 0.00 H new ATOM 152 N MET A 13 3.620 -0.592 -2.107 1.00 0.00 N ATOM 153 CA MET A 13 4.846 -1.112 -2.689 1.00 0.00 C ATOM 154 C MET A 13 6.034 -0.893 -1.751 1.00 0.00 C ATOM 155 O MET A 13 6.842 -1.798 -1.546 1.00 0.00 O ATOM 156 CB MET A 13 5.114 -0.414 -4.024 1.00 0.00 C ATOM 157 CG MET A 13 4.538 1.004 -4.026 1.00 0.00 C ATOM 158 SD MET A 13 4.938 1.823 -5.561 1.00 0.00 S ATOM 159 CE MET A 13 3.661 1.152 -6.612 1.00 0.00 C ATOM 0 H MET A 13 3.748 0.205 -1.483 1.00 0.00 H new ATOM 0 HA MET A 13 4.725 -2.184 -2.847 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.187 -0.375 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.672 -0.991 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.457 0.966 -3.895 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.941 1.570 -3.186 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.095 0.851 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.210 0.285 -6.129 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.897 1.910 -6.785 1.00 0.00 H new ATOM 169 N ASN A 14 6.103 0.313 -1.206 1.00 0.00 N ATOM 170 CA ASN A 14 7.179 0.662 -0.294 1.00 0.00 C ATOM 171 C ASN A 14 6.750 0.345 1.140 1.00 0.00 C ATOM 172 O ASN A 14 5.641 0.686 1.549 1.00 0.00 O ATOM 173 CB ASN A 14 7.504 2.155 -0.371 1.00 0.00 C ATOM 174 CG ASN A 14 8.095 2.518 -1.735 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.268 2.316 -2.005 1.00 0.00 O ATOM 176 ND2 ASN A 14 7.221 3.063 -2.576 1.00 0.00 N ATOM 0 H ASN A 14 5.431 1.061 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 14 8.060 0.086 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.599 2.737 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.210 2.418 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.518 3.340 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.253 3.204 -2.286 1.00 0.00 H new ATOM 183 N GLY A 15 7.650 -0.305 1.863 1.00 0.00 N ATOM 184 CA GLY A 15 7.378 -0.672 3.242 1.00 0.00 C ATOM 185 C GLY A 15 6.591 0.428 3.957 1.00 0.00 C ATOM 186 O GLY A 15 5.814 0.148 4.869 1.00 0.00 O ATOM 0 H GLY A 15 8.568 -0.587 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.814 -1.604 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.317 -0.852 3.766 1.00 0.00 H new ATOM 190 N TYR A 16 6.818 1.656 3.516 1.00 0.00 N ATOM 191 CA TYR A 16 6.139 2.800 4.102 1.00 0.00 C ATOM 192 C TYR A 16 4.654 2.803 3.735 1.00 0.00 C ATOM 193 O TYR A 16 3.795 2.676 4.606 1.00 0.00 O ATOM 194 CB TYR A 16 6.804 4.039 3.501 1.00 0.00 C ATOM 195 CG TYR A 16 6.204 5.362 3.981 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.068 5.608 5.332 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.799 6.309 3.062 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.503 6.854 5.783 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.234 7.555 3.514 1.00 0.00 C ATOM 200 CZ TYR A 16 5.114 7.765 4.852 1.00 0.00 C ATOM 201 OH TYR A 16 4.581 8.941 5.279 1.00 0.00 O ATOM 0 H TYR A 16 7.463 1.885 2.759 1.00 0.00 H new ATOM 0 HA TYR A 16 6.211 2.774 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.866 4.024 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.726 3.990 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.385 4.867 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.906 6.116 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.391 7.060 6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.913 8.305 2.806 1.00 0.00 H new ATOM 0 HH TYR A 16 4.349 9.495 4.505 1.00 0.00 H new ATOM 211 N GLN A 17 4.397 2.951 2.444 1.00 0.00 N ATOM 212 CA GLN A 17 3.030 2.972 1.950 1.00 0.00 C ATOM 213 C GLN A 17 2.191 1.911 2.665 1.00 0.00 C ATOM 214 O GLN A 17 1.001 2.112 2.901 1.00 0.00 O ATOM 215 CB GLN A 17 2.992 2.773 0.434 1.00 0.00 C ATOM 216 CG GLN A 17 3.562 3.992 -0.294 1.00 0.00 C ATOM 217 CD GLN A 17 3.120 4.011 -1.759 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.205 2.831 -2.366 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.728 5.031 -2.303 1.00 0.00 N flip ATOM 0 H GLN A 17 5.112 3.058 1.724 1.00 0.00 H new ATOM 0 HA GLN A 17 2.601 3.951 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.564 1.885 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.965 2.600 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.230 4.904 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.651 3.977 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.687 5.905 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.441 5.009 -3.282 1.00 0.00 H new ATOM 228 N LYS A 18 2.844 0.805 2.988 1.00 0.00 N ATOM 229 CA LYS A 18 2.173 -0.289 3.670 1.00 0.00 C ATOM 230 C LYS A 18 1.830 0.141 5.098 1.00 0.00 C ATOM 231 O LYS A 18 0.661 0.162 5.480 1.00 0.00 O ATOM 232 CB LYS A 18 3.016 -1.564 3.597 1.00 0.00 C ATOM 233 CG LYS A 18 2.410 -2.671 4.461 1.00 0.00 C ATOM 234 CD LYS A 18 1.754 -3.747 3.593 1.00 0.00 C ATOM 235 CE LYS A 18 0.586 -4.408 4.328 1.00 0.00 C ATOM 236 NZ LYS A 18 0.314 -5.750 3.766 1.00 0.00 N ATOM 0 H LYS A 18 3.831 0.642 2.790 1.00 0.00 H new ATOM 0 HA LYS A 18 1.233 -0.528 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.084 -1.901 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.032 -1.352 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.187 -3.121 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.670 -2.245 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.398 -3.303 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.493 -4.502 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.817 -4.492 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.304 -3.785 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.647 -5.772 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.003 -5.958 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.394 -6.464 4.518 1.00 0.00 H new ATOM 250 N PHE A 19 2.871 0.474 5.848 1.00 0.00 N ATOM 251 CA PHE A 19 2.695 0.902 7.225 1.00 0.00 C ATOM 252 C PHE A 19 1.707 2.067 7.315 1.00 0.00 C ATOM 253 O PHE A 19 0.841 2.085 8.188 1.00 0.00 O ATOM 254 CB PHE A 19 4.062 1.368 7.727 1.00 0.00 C ATOM 255 CG PHE A 19 3.995 2.322 8.922 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.641 1.851 10.148 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.288 3.639 8.758 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.578 2.736 11.257 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.225 4.524 9.866 1.00 0.00 C ATOM 260 CZ PHE A 19 3.871 4.054 11.093 1.00 0.00 C ATOM 0 H PHE A 19 3.839 0.456 5.528 1.00 0.00 H new ATOM 0 HA PHE A 19 2.301 0.080 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.652 0.495 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.588 1.862 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.408 0.804 10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.569 4.012 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.297 2.362 12.231 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.458 5.570 9.735 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.823 4.727 11.936 1.00 0.00 H new ATOM 270 N SER A 20 1.870 3.011 6.400 1.00 0.00 N ATOM 271 CA SER A 20 1.004 4.177 6.365 1.00 0.00 C ATOM 272 C SER A 20 -0.461 3.739 6.301 1.00 0.00 C ATOM 273 O SER A 20 -1.232 4.004 7.222 1.00 0.00 O ATOM 274 CB SER A 20 1.340 5.078 5.175 1.00 0.00 C ATOM 275 OG SER A 20 0.672 4.664 3.986 1.00 0.00 O ATOM 0 H SER A 20 2.589 2.992 5.677 1.00 0.00 H new ATOM 0 HA SER A 20 1.166 4.750 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.061 6.106 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.417 5.070 5.007 1.00 0.00 H new ATOM 0 HG SER A 20 0.911 5.265 3.250 1.00 0.00 H new ATOM 281 N GLN A 21 -0.800 3.076 5.205 1.00 0.00 N ATOM 282 CA GLN A 21 -2.159 2.599 5.010 1.00 0.00 C ATOM 283 C GLN A 21 -2.694 1.976 6.301 1.00 0.00 C ATOM 284 O GLN A 21 -3.889 2.049 6.580 1.00 0.00 O ATOM 285 CB GLN A 21 -2.228 1.602 3.851 1.00 0.00 C ATOM 286 CG GLN A 21 -3.496 1.813 3.022 1.00 0.00 C ATOM 287 CD GLN A 21 -4.703 1.145 3.685 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.576 0.263 4.518 1.00 0.00 O ATOM 289 NE2 GLN A 21 -5.876 1.614 3.270 1.00 0.00 N ATOM 0 H GLN A 21 -0.158 2.858 4.443 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.789 3.451 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.350 1.717 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.209 0.584 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.685 2.880 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.353 1.404 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.910 2.354 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.742 1.234 3.653 1.00 0.00 H new ATOM 298 N GLU A 22 -1.782 1.379 7.054 1.00 0.00 N ATOM 299 CA GLU A 22 -2.147 0.744 8.310 1.00 0.00 C ATOM 300 C GLU A 22 -2.674 1.787 9.298 1.00 0.00 C ATOM 301 O GLU A 22 -3.669 1.552 9.982 1.00 0.00 O ATOM 302 CB GLU A 22 -0.963 -0.023 8.901 1.00 0.00 C ATOM 303 CG GLU A 22 -1.422 -1.340 9.530 1.00 0.00 C ATOM 304 CD GLU A 22 -0.650 -2.525 8.945 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.630 -2.630 7.700 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.098 -3.299 9.757 1.00 0.00 O ATOM 0 H GLU A 22 -0.791 1.321 6.819 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.942 0.024 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.230 -0.225 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.467 0.590 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.275 -1.303 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.490 -1.477 9.359 1.00 0.00 H new ATOM 313 N LEU A 23 -1.983 2.917 9.341 1.00 0.00 N ATOM 314 CA LEU A 23 -2.369 3.996 10.234 1.00 0.00 C ATOM 315 C LEU A 23 -3.658 4.640 9.721 1.00 0.00 C ATOM 316 O LEU A 23 -4.492 5.082 10.510 1.00 0.00 O ATOM 317 CB LEU A 23 -1.214 4.985 10.410 1.00 0.00 C ATOM 318 CG LEU A 23 0.021 4.451 11.137 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.306 4.994 10.508 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.053 4.750 12.636 1.00 0.00 C ATOM 0 H LEU A 23 -1.158 3.108 8.772 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.581 3.609 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.908 5.335 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.585 5.853 10.955 1.00 0.00 H new ATOM 0 HG LEU A 23 0.040 3.367 11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.169 4.599 11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.357 4.688 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.309 6.082 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.837 4.360 13.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.110 5.828 12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.939 4.276 13.058 1.00 0.00 H new ATOM 332 N LEU A 24 -3.780 4.675 8.403 1.00 0.00 N ATOM 333 CA LEU A 24 -4.954 5.258 7.775 1.00 0.00 C ATOM 334 C LEU A 24 -6.153 4.330 7.983 1.00 0.00 C ATOM 335 O LEU A 24 -7.297 4.781 7.988 1.00 0.00 O ATOM 336 CB LEU A 24 -4.672 5.578 6.306 1.00 0.00 C ATOM 337 CG LEU A 24 -3.563 6.599 6.042 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.486 6.954 4.556 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.740 7.840 6.920 1.00 0.00 C ATOM 0 H LEU A 24 -3.085 4.309 7.752 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.203 6.210 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.413 4.650 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.592 5.945 5.852 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.610 6.146 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.690 7.681 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.277 6.054 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.436 7.380 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.939 8.550 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.702 8.305 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.706 7.551 7.970 1.00 0.00 H new ATOM 351 N SER A 25 -5.849 3.051 8.150 1.00 0.00 N ATOM 352 CA SER A 25 -6.887 2.056 8.359 1.00 0.00 C ATOM 353 C SER A 25 -7.077 1.804 9.856 1.00 0.00 C ATOM 354 O SER A 25 -8.136 1.346 10.282 1.00 0.00 O ATOM 355 CB SER A 25 -6.549 0.749 7.639 1.00 0.00 C ATOM 356 OG SER A 25 -7.565 -0.235 7.816 1.00 0.00 O ATOM 0 H SER A 25 -4.898 2.681 8.145 1.00 0.00 H new ATOM 0 HA SER A 25 -7.818 2.439 7.941 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.415 0.945 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.601 0.363 8.014 1.00 0.00 H new ATOM 0 HG SER A 25 -7.313 -1.054 7.340 1.00 0.00 H new ATOM 362 N ASN A 26 -6.035 2.114 10.613 1.00 0.00 N ATOM 363 CA ASN A 26 -6.074 1.927 12.053 1.00 0.00 C ATOM 364 C ASN A 26 -6.948 3.014 12.681 1.00 0.00 C ATOM 365 O ASN A 26 -7.945 2.713 13.336 1.00 0.00 O ATOM 366 CB ASN A 26 -4.674 2.036 12.661 1.00 0.00 C ATOM 367 CG ASN A 26 -3.871 0.756 12.420 1.00 0.00 C ATOM 368 OD1 ASN A 26 -4.389 -0.348 12.453 1.00 0.00 O ATOM 369 ND2 ASN A 26 -2.580 0.965 12.177 1.00 0.00 N ATOM 0 H ASN A 26 -5.158 2.494 10.256 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.478 0.934 12.253 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.149 2.886 12.225 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.752 2.224 13.732 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.959 0.174 12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.211 1.916 12.164 1.00 0.00 H new ATOM 376 N GLY A 27 -6.543 4.256 12.458 1.00 0.00 N ATOM 377 CA GLY A 27 -7.277 5.390 12.994 1.00 0.00 C ATOM 378 C GLY A 27 -6.569 5.971 14.220 1.00 0.00 C ATOM 379 O GLY A 27 -7.208 6.572 15.083 1.00 0.00 O ATOM 0 H GLY A 27 -5.716 4.502 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.375 6.159 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.286 5.079 13.265 1.00 0.00 H new ATOM 383 N GLU A 28 -5.260 5.772 14.257 1.00 0.00 N ATOM 384 CA GLU A 28 -4.459 6.269 15.363 1.00 0.00 C ATOM 385 C GLU A 28 -4.255 7.780 15.233 1.00 0.00 C ATOM 386 O GLU A 28 -3.994 8.462 16.223 1.00 0.00 O ATOM 387 CB GLU A 28 -3.117 5.539 15.439 1.00 0.00 C ATOM 388 CG GLU A 28 -3.227 4.127 14.859 1.00 0.00 C ATOM 389 CD GLU A 28 -2.327 3.151 15.619 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.128 3.095 15.270 1.00 0.00 O ATOM 391 OE2 GLU A 28 -2.858 2.482 16.531 1.00 0.00 O ATOM 0 H GLU A 28 -4.734 5.274 13.539 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.995 6.073 16.292 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.361 6.103 14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.786 5.485 16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.262 3.788 14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.948 4.140 13.805 1.00 0.00 H new ATOM 398 N LEU A 29 -4.381 8.259 14.004 1.00 0.00 N ATOM 399 CA LEU A 29 -4.213 9.676 13.733 1.00 0.00 C ATOM 400 C LEU A 29 -5.445 10.198 12.992 1.00 0.00 C ATOM 401 O LEU A 29 -5.327 11.021 12.085 1.00 0.00 O ATOM 402 CB LEU A 29 -2.898 9.928 12.992 1.00 0.00 C ATOM 403 CG LEU A 29 -1.880 8.786 13.025 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.889 8.901 11.866 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.173 8.720 14.380 1.00 0.00 C ATOM 0 H LEU A 29 -4.597 7.691 13.185 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.139 10.236 14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.128 10.153 11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.430 10.817 13.415 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.417 7.846 12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.177 8.077 11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.429 8.860 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.354 9.848 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.455 7.900 14.376 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.651 9.659 14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.909 8.554 15.167 1.00 0.00 H new ATOM 417 N ASN A 30 -6.601 9.699 13.405 1.00 0.00 N ATOM 418 CA ASN A 30 -7.854 10.105 12.792 1.00 0.00 C ATOM 419 C ASN A 30 -8.425 11.303 13.553 1.00 0.00 C ATOM 420 O ASN A 30 -9.598 11.639 13.399 1.00 0.00 O ATOM 421 CB ASN A 30 -8.885 8.975 12.846 1.00 0.00 C ATOM 422 CG ASN A 30 -9.237 8.623 14.293 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.917 9.338 15.228 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.912 7.485 14.423 1.00 0.00 N ATOM 0 H ASN A 30 -6.696 9.017 14.157 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.653 10.361 11.752 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.786 9.274 12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.491 8.094 12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.194 7.162 15.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.148 6.935 13.597 1.00 0.00 H new ATOM 431 N HIS A 31 -7.569 11.914 14.359 1.00 0.00 N ATOM 432 CA HIS A 31 -7.974 13.067 15.145 1.00 0.00 C ATOM 433 C HIS A 31 -7.588 14.351 14.408 1.00 0.00 C ATOM 434 O HIS A 31 -8.193 15.400 14.622 1.00 0.00 O ATOM 435 CB HIS A 31 -7.388 12.995 16.557 1.00 0.00 C ATOM 436 CG HIS A 31 -5.882 12.890 16.593 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.205 11.720 16.297 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.931 13.820 16.891 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.906 11.947 16.417 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.738 13.249 16.785 1.00 0.00 N ATOM 0 H HIS A 31 -6.597 11.632 14.485 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.058 13.069 15.264 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.693 13.882 17.112 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.814 12.134 17.073 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -5.634 10.833 16.031 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.117 14.848 17.167 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.118 11.227 16.252 1.00 0.00 H new ATOM 448 N LEU A 32 -6.582 14.226 13.554 1.00 0.00 N ATOM 449 CA LEU A 32 -6.108 15.363 12.785 1.00 0.00 C ATOM 450 C LEU A 32 -6.467 15.162 11.311 1.00 0.00 C ATOM 451 O LEU A 32 -6.918 14.086 10.920 1.00 0.00 O ATOM 452 CB LEU A 32 -4.615 15.590 13.028 1.00 0.00 C ATOM 453 CG LEU A 32 -3.875 14.465 13.754 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.528 13.327 12.791 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.638 14.999 14.478 1.00 0.00 C ATOM 0 H LEU A 32 -6.083 13.354 13.378 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.603 16.277 13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.131 15.754 12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.496 16.507 13.605 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.540 14.054 14.514 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.002 12.540 13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.444 12.922 12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.890 13.707 11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.131 14.178 14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.960 15.452 13.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.940 15.747 15.211 1.00 0.00 H new ATOM 467 N PRO A 33 -6.249 16.241 10.513 1.00 0.00 N ATOM 468 CA PRO A 33 -6.545 16.193 9.091 1.00 0.00 C ATOM 469 C PRO A 33 -5.489 15.380 8.339 1.00 0.00 C ATOM 470 O PRO A 33 -4.409 15.120 8.866 1.00 0.00 O ATOM 471 CB PRO A 33 -6.599 17.647 8.652 1.00 0.00 C ATOM 472 CG PRO A 33 -5.877 18.436 9.732 1.00 0.00 C ATOM 473 CD PRO A 33 -5.716 17.531 10.942 1.00 0.00 C ATOM 0 HA PRO A 33 -7.487 15.690 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.118 17.780 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.630 17.985 8.545 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.904 18.771 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.444 19.329 9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.670 17.449 11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.262 17.919 11.802 1.00 0.00 H new ATOM 481 N LEU A 34 -5.840 15.001 7.119 1.00 0.00 N ATOM 482 CA LEU A 34 -4.936 14.223 6.289 1.00 0.00 C ATOM 483 C LEU A 34 -3.526 14.808 6.390 1.00 0.00 C ATOM 484 O LEU A 34 -2.582 14.103 6.742 1.00 0.00 O ATOM 485 CB LEU A 34 -5.465 14.137 4.856 1.00 0.00 C ATOM 486 CG LEU A 34 -4.724 13.177 3.923 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.212 13.395 4.002 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.110 11.724 4.212 1.00 0.00 C ATOM 0 H LEU A 34 -6.737 15.218 6.685 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.881 13.195 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.513 13.839 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.433 15.135 4.418 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.028 13.393 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.709 12.700 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.976 14.418 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.872 13.222 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.569 11.062 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.854 11.477 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.182 11.596 4.065 1.00 0.00 H new ATOM 500 N LYS A 35 -3.429 16.091 6.074 1.00 0.00 N ATOM 501 CA LYS A 35 -2.150 16.779 6.125 1.00 0.00 C ATOM 502 C LYS A 35 -1.334 16.243 7.304 1.00 0.00 C ATOM 503 O LYS A 35 -0.336 15.552 7.109 1.00 0.00 O ATOM 504 CB LYS A 35 -2.357 18.294 6.159 1.00 0.00 C ATOM 505 CG LYS A 35 -1.025 19.026 6.330 1.00 0.00 C ATOM 506 CD LYS A 35 -0.343 19.248 4.979 1.00 0.00 C ATOM 507 CE LYS A 35 0.550 20.490 5.012 1.00 0.00 C ATOM 508 NZ LYS A 35 1.740 20.296 4.154 1.00 0.00 N ATOM 0 H LYS A 35 -4.215 16.672 5.782 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.574 16.580 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.839 18.619 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.027 18.555 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.194 19.986 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.370 18.448 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.254 18.373 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.098 19.359 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.013 21.359 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.862 20.693 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.335 21.148 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.285 19.479 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.437 20.124 3.174 1.00 0.00 H new ATOM 522 N GLU A 36 -1.790 16.584 8.501 1.00 0.00 N ATOM 523 CA GLU A 36 -1.115 16.146 9.711 1.00 0.00 C ATOM 524 C GLU A 36 -0.893 14.632 9.677 1.00 0.00 C ATOM 525 O GLU A 36 0.224 14.160 9.881 1.00 0.00 O ATOM 526 CB GLU A 36 -1.901 16.557 10.957 1.00 0.00 C ATOM 527 CG GLU A 36 -1.444 17.926 11.467 1.00 0.00 C ATOM 528 CD GLU A 36 -1.266 17.913 12.986 1.00 0.00 C ATOM 529 OE1 GLU A 36 -2.304 17.975 13.680 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.096 17.840 13.419 1.00 0.00 O ATOM 0 H GLU A 36 -2.618 17.158 8.658 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.142 16.635 9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.966 16.588 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.766 15.810 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.504 18.201 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.176 18.684 11.189 1.00 0.00 H new ATOM 537 N ARG A 37 -1.976 13.914 9.418 1.00 0.00 N ATOM 538 CA ARG A 37 -1.914 12.463 9.356 1.00 0.00 C ATOM 539 C ARG A 37 -0.624 12.016 8.666 1.00 0.00 C ATOM 540 O ARG A 37 0.219 11.365 9.281 1.00 0.00 O ATOM 541 CB ARG A 37 -3.114 11.893 8.596 1.00 0.00 C ATOM 542 CG ARG A 37 -4.110 11.240 9.556 1.00 0.00 C ATOM 543 CD ARG A 37 -5.372 10.793 8.815 1.00 0.00 C ATOM 544 NE ARG A 37 -6.553 11.510 9.347 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.818 11.236 9.000 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.074 10.260 8.119 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.826 11.939 9.534 1.00 0.00 N ATOM 0 H ARG A 37 -2.901 14.309 9.249 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.933 12.086 10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.608 12.689 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.772 11.159 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.645 10.381 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.377 11.944 10.344 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.266 10.991 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.508 9.717 8.928 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.394 12.260 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.306 9.726 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.037 10.051 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.630 12.682 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.789 11.731 9.270 1.00 0.00 H new ATOM 561 N MET A 38 -0.510 12.384 7.398 1.00 0.00 N ATOM 562 CA MET A 38 0.664 12.030 6.618 1.00 0.00 C ATOM 563 C MET A 38 1.948 12.315 7.400 1.00 0.00 C ATOM 564 O MET A 38 2.652 11.391 7.802 1.00 0.00 O ATOM 565 CB MET A 38 0.671 12.829 5.314 1.00 0.00 C ATOM 566 CG MET A 38 -0.290 12.219 4.291 1.00 0.00 C ATOM 567 SD MET A 38 0.595 11.110 3.208 1.00 0.00 S ATOM 568 CE MET A 38 0.270 9.556 4.024 1.00 0.00 C ATOM 0 H MET A 38 -1.212 12.924 6.891 1.00 0.00 H new ATOM 0 HA MET A 38 0.624 10.963 6.399 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.386 13.862 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.680 12.851 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.087 11.681 4.804 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.763 13.009 3.708 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.075 8.826 3.292 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.184 9.194 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.498 9.698 4.784 1.00 0.00 H new ATOM 578 N VAL A 39 2.213 13.599 7.590 1.00 0.00 N ATOM 579 CA VAL A 39 3.400 14.018 8.316 1.00 0.00 C ATOM 580 C VAL A 39 3.527 13.192 9.598 1.00 0.00 C ATOM 581 O VAL A 39 4.596 12.660 9.894 1.00 0.00 O ATOM 582 CB VAL A 39 3.349 15.525 8.578 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.031 15.920 9.248 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.547 15.977 9.416 1.00 0.00 C ATOM 0 H VAL A 39 1.626 14.363 7.254 1.00 0.00 H new ATOM 0 HA VAL A 39 4.295 13.835 7.722 1.00 0.00 H new ATOM 0 HB VAL A 39 3.402 16.035 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.020 16.996 9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.198 15.650 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.935 15.396 10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.486 17.052 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.539 15.456 10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.470 15.746 8.885 1.00 0.00 H new ATOM 594 N GLU A 40 2.422 13.112 10.324 1.00 0.00 N ATOM 595 CA GLU A 40 2.396 12.360 11.567 1.00 0.00 C ATOM 596 C GLU A 40 2.846 10.918 11.324 1.00 0.00 C ATOM 597 O GLU A 40 3.536 10.331 12.157 1.00 0.00 O ATOM 598 CB GLU A 40 1.005 12.400 12.203 1.00 0.00 C ATOM 599 CG GLU A 40 1.101 12.420 13.730 1.00 0.00 C ATOM 600 CD GLU A 40 1.976 13.579 14.209 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.424 14.694 14.334 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.178 13.325 14.439 1.00 0.00 O ATOM 0 H GLU A 40 1.538 13.556 10.075 1.00 0.00 H new ATOM 0 HA GLU A 40 3.092 12.825 12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.468 13.283 11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.429 11.532 11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.103 12.511 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.515 11.476 14.084 1.00 0.00 H new ATOM 609 N ILE A 41 2.438 10.388 10.181 1.00 0.00 N ATOM 610 CA ILE A 41 2.791 9.026 9.818 1.00 0.00 C ATOM 611 C ILE A 41 4.301 8.939 9.589 1.00 0.00 C ATOM 612 O ILE A 41 4.992 8.180 10.267 1.00 0.00 O ATOM 613 CB ILE A 41 1.960 8.557 8.622 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.470 8.517 8.972 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.462 7.210 8.100 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.389 8.833 7.746 1.00 0.00 C ATOM 0 H ILE A 41 1.866 10.878 9.493 1.00 0.00 H new ATOM 0 HA ILE A 41 2.551 8.341 10.631 1.00 0.00 H new ATOM 0 HB ILE A 41 2.083 9.280 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.210 7.532 9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.259 9.236 9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.854 6.900 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.502 7.306 7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.389 6.463 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.443 8.798 8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.143 9.829 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.193 8.098 6.965 1.00 0.00 H new ATOM 628 N GLY A 42 4.769 9.727 8.632 1.00 0.00 N ATOM 629 CA GLY A 42 6.184 9.748 8.306 1.00 0.00 C ATOM 630 C GLY A 42 7.040 9.664 9.571 1.00 0.00 C ATOM 631 O GLY A 42 8.080 9.006 9.579 1.00 0.00 O ATOM 0 H GLY A 42 4.193 10.355 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.421 8.913 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.422 10.662 7.762 1.00 0.00 H new ATOM 635 N SER A 43 6.572 10.340 10.610 1.00 0.00 N ATOM 636 CA SER A 43 7.281 10.349 11.878 1.00 0.00 C ATOM 637 C SER A 43 7.280 8.946 12.489 1.00 0.00 C ATOM 638 O SER A 43 8.339 8.395 12.788 1.00 0.00 O ATOM 639 CB SER A 43 6.657 11.352 12.851 1.00 0.00 C ATOM 640 OG SER A 43 7.641 12.166 13.482 1.00 0.00 O ATOM 0 H SER A 43 5.710 10.885 10.599 1.00 0.00 H new ATOM 0 HA SER A 43 8.310 10.656 11.692 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.951 11.986 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.089 10.815 13.611 1.00 0.00 H new ATOM 0 HG SER A 43 7.203 12.794 14.094 1.00 0.00 H new ATOM 646 N ARG A 44 6.081 8.409 12.657 1.00 0.00 N ATOM 647 CA ARG A 44 5.929 7.082 13.227 1.00 0.00 C ATOM 648 C ARG A 44 6.746 6.064 12.428 1.00 0.00 C ATOM 649 O ARG A 44 7.307 5.129 12.997 1.00 0.00 O ATOM 650 CB ARG A 44 4.460 6.651 13.236 1.00 0.00 C ATOM 651 CG ARG A 44 3.631 7.550 14.156 1.00 0.00 C ATOM 652 CD ARG A 44 2.455 6.780 14.760 1.00 0.00 C ATOM 653 NE ARG A 44 2.886 6.083 15.993 1.00 0.00 N ATOM 654 CZ ARG A 44 3.170 6.704 17.146 1.00 0.00 C ATOM 655 NH1 ARG A 44 3.071 8.037 17.231 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.553 5.991 18.214 1.00 0.00 N ATOM 0 H ARG A 44 5.205 8.869 12.408 1.00 0.00 H new ATOM 0 HA ARG A 44 6.292 7.119 14.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.059 6.692 12.223 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.383 5.615 13.567 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.262 7.941 14.954 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.259 8.407 13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.639 7.466 14.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.074 6.058 14.038 1.00 0.00 H new ATOM 0 HE ARG A 44 2.972 5.067 15.963 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.779 8.580 16.418 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.287 8.510 18.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.628 4.976 18.149 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.769 6.463 19.092 1.00 0.00 H new ATOM 670 N TRP A 45 6.788 6.281 11.121 1.00 0.00 N ATOM 671 CA TRP A 45 7.527 5.395 10.239 1.00 0.00 C ATOM 672 C TRP A 45 9.020 5.630 10.476 1.00 0.00 C ATOM 673 O TRP A 45 9.825 4.708 10.350 1.00 0.00 O ATOM 674 CB TRP A 45 7.113 5.602 8.781 1.00 0.00 C ATOM 675 CG TRP A 45 8.046 4.935 7.768 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.046 5.495 7.074 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.024 3.550 7.361 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.668 4.576 6.253 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.026 3.356 6.433 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.185 2.497 7.764 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.284 2.119 5.830 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.455 1.267 7.152 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.460 1.055 6.217 1.00 0.00 C ATOM 0 H TRP A 45 6.322 7.058 10.652 1.00 0.00 H new ATOM 0 HA TRP A 45 7.299 4.352 10.460 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.104 5.213 8.642 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.073 6.671 8.574 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.330 6.534 7.148 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.454 4.758 5.629 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.395 2.626 8.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.075 1.992 5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.838 0.424 7.426 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.605 0.074 5.790 1.00 0.00 H new ATOM 694 N GLN A 46 9.345 6.869 10.814 1.00 0.00 N ATOM 695 CA GLN A 46 10.728 7.236 11.070 1.00 0.00 C ATOM 696 C GLN A 46 11.156 6.758 12.459 1.00 0.00 C ATOM 697 O GLN A 46 12.348 6.695 12.757 1.00 0.00 O ATOM 698 CB GLN A 46 10.929 8.746 10.923 1.00 0.00 C ATOM 699 CG GLN A 46 10.879 9.165 9.452 1.00 0.00 C ATOM 700 CD GLN A 46 12.262 9.064 8.806 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.262 8.804 9.455 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.263 9.283 7.494 1.00 0.00 N ATOM 0 H GLN A 46 8.675 7.631 10.917 1.00 0.00 H new ATOM 0 HA GLN A 46 11.358 6.744 10.329 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.157 9.275 11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.888 9.033 11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.175 8.531 8.913 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.511 10.188 9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.390 9.496 7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.137 9.238 6.970 1.00 0.00 H new ATOM 711 N ARG A 47 10.161 6.434 13.271 1.00 0.00 N ATOM 712 CA ARG A 47 10.420 5.963 14.621 1.00 0.00 C ATOM 713 C ARG A 47 10.774 4.475 14.606 1.00 0.00 C ATOM 714 O ARG A 47 11.809 4.074 15.137 1.00 0.00 O ATOM 715 CB ARG A 47 9.204 6.181 15.523 1.00 0.00 C ATOM 716 CG ARG A 47 9.115 7.639 15.981 1.00 0.00 C ATOM 717 CD ARG A 47 7.796 7.905 16.710 1.00 0.00 C ATOM 718 NE ARG A 47 7.705 9.333 17.086 1.00 0.00 N ATOM 719 CZ ARG A 47 6.847 9.818 17.993 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.000 8.992 18.623 1.00 0.00 N ATOM 721 NH2 ARG A 47 6.835 11.129 18.271 1.00 0.00 N ATOM 0 H ARG A 47 9.174 6.488 13.020 1.00 0.00 H new ATOM 0 HA ARG A 47 11.259 6.536 15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.295 5.909 14.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.269 5.526 16.392 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.952 7.869 16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.198 8.301 15.119 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.956 7.635 16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.731 7.281 17.601 1.00 0.00 H new ATOM 0 HE ARG A 47 8.335 9.990 16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.009 7.994 18.412 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.347 9.361 19.314 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.479 11.758 17.792 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.181 11.498 18.962 1.00 0.00 H new ATOM 735 N ILE A 48 9.896 3.696 13.991 1.00 0.00 N ATOM 736 CA ILE A 48 10.103 2.261 13.900 1.00 0.00 C ATOM 737 C ILE A 48 11.557 1.984 13.514 1.00 0.00 C ATOM 738 O ILE A 48 12.278 2.892 13.102 1.00 0.00 O ATOM 739 CB ILE A 48 9.084 1.632 12.948 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.066 2.361 11.603 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.695 1.579 13.589 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.118 1.673 10.619 1.00 0.00 C ATOM 0 H ILE A 48 9.039 4.032 13.551 1.00 0.00 H new ATOM 0 HA ILE A 48 9.934 1.789 14.868 1.00 0.00 H new ATOM 0 HB ILE A 48 9.389 0.604 12.753 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.755 3.395 11.750 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.073 2.387 11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.989 1.128 12.892 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.737 0.982 14.500 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.368 2.590 13.833 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.124 2.211 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.446 0.646 10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.108 1.670 11.028 1.00 0.00 H new ATOM 754 N SER A 49 11.945 0.725 13.659 1.00 0.00 N ATOM 755 CA SER A 49 13.301 0.317 13.331 1.00 0.00 C ATOM 756 C SER A 49 13.319 -0.393 11.976 1.00 0.00 C ATOM 757 O SER A 49 12.334 -0.361 11.240 1.00 0.00 O ATOM 758 CB SER A 49 13.880 -0.593 14.415 1.00 0.00 C ATOM 759 OG SER A 49 14.864 0.073 15.202 1.00 0.00 O ATOM 0 H SER A 49 11.344 -0.026 13.999 1.00 0.00 H new ATOM 0 HA SER A 49 13.923 1.210 13.275 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.076 -0.944 15.061 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.323 -1.474 13.950 1.00 0.00 H new ATOM 0 HG SER A 49 15.208 -0.541 15.884 1.00 0.00 H new ATOM 765 N GLN A 50 14.451 -1.019 11.687 1.00 0.00 N ATOM 766 CA GLN A 50 14.611 -1.736 10.434 1.00 0.00 C ATOM 767 C GLN A 50 13.612 -2.892 10.353 1.00 0.00 C ATOM 768 O GLN A 50 12.892 -3.027 9.365 1.00 0.00 O ATOM 769 CB GLN A 50 16.046 -2.238 10.269 1.00 0.00 C ATOM 770 CG GLN A 50 16.243 -2.897 8.902 1.00 0.00 C ATOM 771 CD GLN A 50 15.798 -1.964 7.774 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.499 -2.029 7.499 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.583 -1.233 7.192 1.00 0.00 N flip ATOM 0 H GLN A 50 15.266 -1.044 12.300 1.00 0.00 H new ATOM 0 HA GLN A 50 14.406 -1.047 9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.741 -1.406 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.278 -2.953 11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.292 -3.160 8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.674 -3.826 8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.569 -1.232 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.253 -0.623 6.444 1.00 0.00 H new ATOM 782 N SER A 51 13.602 -3.698 11.405 1.00 0.00 N ATOM 783 CA SER A 51 12.704 -4.838 11.465 1.00 0.00 C ATOM 784 C SER A 51 11.349 -4.470 10.859 1.00 0.00 C ATOM 785 O SER A 51 10.970 -4.994 9.812 1.00 0.00 O ATOM 786 CB SER A 51 12.527 -5.324 12.905 1.00 0.00 C ATOM 787 OG SER A 51 11.387 -6.167 13.048 1.00 0.00 O ATOM 0 H SER A 51 14.202 -3.584 12.222 1.00 0.00 H new ATOM 0 HA SER A 51 13.144 -5.651 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.420 -5.866 13.217 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.428 -4.465 13.568 1.00 0.00 H new ATOM 0 HG SER A 51 11.310 -6.457 13.981 1.00 0.00 H new ATOM 793 N GLN A 52 10.655 -3.572 11.542 1.00 0.00 N ATOM 794 CA GLN A 52 9.350 -3.127 11.084 1.00 0.00 C ATOM 795 C GLN A 52 9.390 -2.817 9.586 1.00 0.00 C ATOM 796 O GLN A 52 8.837 -3.562 8.779 1.00 0.00 O ATOM 797 CB GLN A 52 8.872 -1.913 11.883 1.00 0.00 C ATOM 798 CG GLN A 52 7.635 -2.256 12.715 1.00 0.00 C ATOM 799 CD GLN A 52 7.818 -3.587 13.446 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.182 -4.583 13.144 1.00 0.00 O ATOM 801 NE2 GLN A 52 8.720 -3.548 14.423 1.00 0.00 N ATOM 0 H GLN A 52 10.972 -3.140 12.410 1.00 0.00 H new ATOM 0 HA GLN A 52 8.635 -3.933 11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.671 -1.567 12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.641 -1.093 11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.447 -1.463 13.438 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.760 -2.310 12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.217 -2.680 14.624 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.914 -4.386 14.971 1.00 0.00 H new ATOM 810 N LYS A 53 10.051 -1.716 9.260 1.00 0.00 N ATOM 811 CA LYS A 53 10.172 -1.298 7.874 1.00 0.00 C ATOM 812 C LYS A 53 10.379 -2.530 6.990 1.00 0.00 C ATOM 813 O LYS A 53 9.726 -2.674 5.958 1.00 0.00 O ATOM 814 CB LYS A 53 11.270 -0.243 7.726 1.00 0.00 C ATOM 815 CG LYS A 53 10.913 1.032 8.493 1.00 0.00 C ATOM 816 CD LYS A 53 12.150 1.905 8.710 1.00 0.00 C ATOM 817 CE LYS A 53 11.763 3.378 8.854 1.00 0.00 C ATOM 818 NZ LYS A 53 12.179 3.897 10.176 1.00 0.00 N ATOM 0 H LYS A 53 10.509 -1.100 9.932 1.00 0.00 H new ATOM 0 HA LYS A 53 9.253 -0.817 7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.215 -0.642 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.414 -0.009 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.159 1.594 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.474 0.771 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.680 1.575 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.835 1.786 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.233 3.962 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.685 3.490 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.431 4.509 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.343 3.101 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.056 4.446 10.073 1.00 0.00 H new ATOM 832 N GLU A 54 11.289 -3.386 7.429 1.00 0.00 N ATOM 833 CA GLU A 54 11.591 -4.601 6.691 1.00 0.00 C ATOM 834 C GLU A 54 10.327 -5.448 6.524 1.00 0.00 C ATOM 835 O GLU A 54 9.952 -5.796 5.405 1.00 0.00 O ATOM 836 CB GLU A 54 12.699 -5.400 7.379 1.00 0.00 C ATOM 837 CG GLU A 54 14.067 -5.071 6.777 1.00 0.00 C ATOM 838 CD GLU A 54 14.421 -6.045 5.652 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.960 -7.123 5.984 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.144 -5.691 4.486 1.00 0.00 O ATOM 0 H GLU A 54 11.827 -3.263 8.287 1.00 0.00 H new ATOM 0 HA GLU A 54 11.952 -4.321 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.704 -5.177 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.500 -6.467 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.063 -4.051 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.830 -5.115 7.554 1.00 0.00 H new ATOM 847 N HIS A 55 9.705 -5.755 7.653 1.00 0.00 N ATOM 848 CA HIS A 55 8.492 -6.554 7.645 1.00 0.00 C ATOM 849 C HIS A 55 7.484 -5.947 6.668 1.00 0.00 C ATOM 850 O HIS A 55 7.113 -6.580 5.680 1.00 0.00 O ATOM 851 CB HIS A 55 7.930 -6.701 9.061 1.00 0.00 C ATOM 852 CG HIS A 55 6.727 -7.609 9.153 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.832 -8.982 9.295 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.393 -7.326 9.122 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.610 -9.492 9.345 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.720 -8.464 9.237 1.00 0.00 N ATOM 0 H HIS A 55 10.019 -5.465 8.579 1.00 0.00 H new ATOM 0 HA HIS A 55 8.719 -7.563 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.714 -7.086 9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.658 -5.715 9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.702 -9.511 9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.958 -6.343 9.021 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.362 -10.538 9.452 1.00 0.00 H new ATOM 864 N TYR A 56 7.068 -4.728 6.977 1.00 0.00 N ATOM 865 CA TYR A 56 6.110 -4.029 6.138 1.00 0.00 C ATOM 866 C TYR A 56 6.451 -4.200 4.656 1.00 0.00 C ATOM 867 O TYR A 56 5.596 -4.584 3.859 1.00 0.00 O ATOM 868 CB TYR A 56 6.226 -2.549 6.508 1.00 0.00 C ATOM 869 CG TYR A 56 5.497 -2.171 7.799 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.171 -2.516 7.969 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.164 -1.485 8.793 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.484 -2.161 9.184 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.477 -1.130 10.008 1.00 0.00 C ATOM 874 CZ TYR A 56 4.172 -1.485 10.144 1.00 0.00 C ATOM 875 OH TYR A 56 3.523 -1.149 11.291 1.00 0.00 O ATOM 0 H TYR A 56 7.377 -4.206 7.797 1.00 0.00 H new ATOM 0 HA TYR A 56 5.105 -4.422 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.280 -2.292 6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.829 -1.948 5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.649 -3.052 7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.201 -1.214 8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.447 -2.425 9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.988 -0.593 10.794 1.00 0.00 H new ATOM 0 HH TYR A 56 4.137 -0.671 11.886 1.00 0.00 H new ATOM 885 N LYS A 57 7.701 -3.906 4.332 1.00 0.00 N ATOM 886 CA LYS A 57 8.166 -4.022 2.960 1.00 0.00 C ATOM 887 C LYS A 57 7.867 -5.431 2.443 1.00 0.00 C ATOM 888 O LYS A 57 7.545 -5.610 1.270 1.00 0.00 O ATOM 889 CB LYS A 57 9.642 -3.631 2.859 1.00 0.00 C ATOM 890 CG LYS A 57 10.173 -3.854 1.442 1.00 0.00 C ATOM 891 CD LYS A 57 11.166 -2.759 1.049 1.00 0.00 C ATOM 892 CE LYS A 57 12.570 -3.083 1.565 1.00 0.00 C ATOM 893 NZ LYS A 57 13.465 -1.915 1.399 1.00 0.00 N ATOM 0 H LYS A 57 8.407 -3.587 4.996 1.00 0.00 H new ATOM 0 HA LYS A 57 7.631 -3.324 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.764 -2.584 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.227 -4.219 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.658 -4.828 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.342 -3.867 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.188 -2.655 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.837 -1.802 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.521 -3.365 2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.974 -3.939 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.414 -2.151 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.525 -1.664 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.086 -1.108 1.935 1.00 0.00 H new ATOM 907 N LYS A 58 7.985 -6.395 3.344 1.00 0.00 N ATOM 908 CA LYS A 58 7.731 -7.782 2.993 1.00 0.00 C ATOM 909 C LYS A 58 6.227 -7.989 2.806 1.00 0.00 C ATOM 910 O LYS A 58 5.805 -8.757 1.942 1.00 0.00 O ATOM 911 CB LYS A 58 8.356 -8.720 4.028 1.00 0.00 C ATOM 912 CG LYS A 58 7.478 -9.952 4.254 1.00 0.00 C ATOM 913 CD LYS A 58 6.336 -9.641 5.224 1.00 0.00 C ATOM 914 CE LYS A 58 5.950 -10.882 6.031 1.00 0.00 C ATOM 915 NZ LYS A 58 7.134 -11.442 6.721 1.00 0.00 N ATOM 0 H LYS A 58 8.253 -6.243 4.316 1.00 0.00 H new ATOM 0 HA LYS A 58 8.208 -8.028 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.345 -9.031 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.492 -8.189 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.069 -10.291 3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.084 -10.767 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.637 -8.841 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.470 -9.280 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.184 -10.623 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.518 -11.633 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.842 -11.861 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.569 -12.174 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.824 -10.684 6.897 1.00 0.00 H new ATOM 929 N LEU A 59 5.458 -7.291 3.629 1.00 0.00 N ATOM 930 CA LEU A 59 4.010 -7.389 3.564 1.00 0.00 C ATOM 931 C LEU A 59 3.516 -6.738 2.271 1.00 0.00 C ATOM 932 O LEU A 59 2.628 -7.268 1.605 1.00 0.00 O ATOM 933 CB LEU A 59 3.377 -6.803 4.828 1.00 0.00 C ATOM 934 CG LEU A 59 3.481 -7.661 6.090 1.00 0.00 C ATOM 935 CD1 LEU A 59 2.847 -6.952 7.289 1.00 0.00 C ATOM 936 CD2 LEU A 59 2.880 -9.049 5.861 1.00 0.00 C ATOM 0 H LEU A 59 5.811 -6.655 4.344 1.00 0.00 H new ATOM 0 HA LEU A 59 3.700 -8.434 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.842 -5.838 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.323 -6.613 4.628 1.00 0.00 H new ATOM 0 HG LEU A 59 4.537 -7.802 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.934 -7.584 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.360 -6.007 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.794 -6.760 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.967 -9.638 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.828 -8.950 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.416 -9.549 5.054 1.00 0.00 H new ATOM 948 N ALA A 60 4.114 -5.599 1.954 1.00 0.00 N ATOM 949 CA ALA A 60 3.746 -4.870 0.751 1.00 0.00 C ATOM 950 C ALA A 60 3.952 -5.770 -0.469 1.00 0.00 C ATOM 951 O ALA A 60 2.992 -6.140 -1.141 1.00 0.00 O ATOM 952 CB ALA A 60 4.561 -3.578 0.668 1.00 0.00 C ATOM 0 H ALA A 60 4.851 -5.163 2.509 1.00 0.00 H new ATOM 0 HA ALA A 60 2.693 -4.590 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.285 -3.031 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.356 -2.961 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.623 -3.819 0.635 1.00 0.00 H new ATOM 958 N GLU A 61 5.212 -6.096 -0.717 1.00 0.00 N ATOM 959 CA GLU A 61 5.558 -6.946 -1.844 1.00 0.00 C ATOM 960 C GLU A 61 4.563 -8.103 -1.960 1.00 0.00 C ATOM 961 O GLU A 61 4.091 -8.412 -3.053 1.00 0.00 O ATOM 962 CB GLU A 61 6.991 -7.465 -1.720 1.00 0.00 C ATOM 963 CG GLU A 61 7.161 -8.311 -0.456 1.00 0.00 C ATOM 964 CD GLU A 61 8.571 -8.899 -0.375 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.467 -8.164 0.093 1.00 0.00 O ATOM 966 OE2 GLU A 61 8.721 -10.071 -0.784 1.00 0.00 O ATOM 0 H GLU A 61 6.006 -5.787 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 61 5.501 -6.350 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.243 -8.061 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.685 -6.625 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.968 -7.698 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.427 -9.116 -0.452 1.00 0.00 H new ATOM 973 N GLU A 62 4.275 -8.711 -0.819 1.00 0.00 N ATOM 974 CA GLU A 62 3.346 -9.827 -0.779 1.00 0.00 C ATOM 975 C GLU A 62 1.957 -9.378 -1.238 1.00 0.00 C ATOM 976 O GLU A 62 1.378 -9.971 -2.147 1.00 0.00 O ATOM 977 CB GLU A 62 3.288 -10.443 0.620 1.00 0.00 C ATOM 978 CG GLU A 62 2.009 -11.262 0.806 1.00 0.00 C ATOM 979 CD GLU A 62 2.241 -12.429 1.769 1.00 0.00 C ATOM 980 OE1 GLU A 62 2.855 -12.177 2.828 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.799 -13.546 1.424 1.00 0.00 O ATOM 0 H GLU A 62 4.669 -8.452 0.085 1.00 0.00 H new ATOM 0 HA GLU A 62 3.703 -10.596 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.158 -11.080 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.331 -9.654 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.215 -10.621 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.673 -11.643 -0.158 1.00 0.00 H new ATOM 988 N GLN A 63 1.463 -8.334 -0.589 1.00 0.00 N ATOM 989 CA GLN A 63 0.153 -7.798 -0.919 1.00 0.00 C ATOM 990 C GLN A 63 -0.025 -7.730 -2.437 1.00 0.00 C ATOM 991 O GLN A 63 -1.075 -8.101 -2.960 1.00 0.00 O ATOM 992 CB GLN A 63 -0.054 -6.423 -0.281 1.00 0.00 C ATOM 993 CG GLN A 63 -1.213 -6.451 0.718 1.00 0.00 C ATOM 994 CD GLN A 63 -2.558 -6.549 -0.006 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.939 -7.585 -0.525 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.253 -5.415 -0.011 1.00 0.00 N ATOM 0 H GLN A 63 1.946 -7.845 0.164 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.605 -8.468 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.860 -6.112 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.256 -5.685 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.096 -7.299 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.191 -5.550 1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.875 -4.583 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.164 -5.377 -0.469 1.00 0.00 H new ATOM 1005 N GLN A 64 1.017 -7.254 -3.103 1.00 0.00 N ATOM 1006 CA GLN A 64 0.989 -7.133 -4.550 1.00 0.00 C ATOM 1007 C GLN A 64 1.018 -8.518 -5.200 1.00 0.00 C ATOM 1008 O GLN A 64 0.304 -8.768 -6.169 1.00 0.00 O ATOM 1009 CB GLN A 64 2.147 -6.268 -5.051 1.00 0.00 C ATOM 1010 CG GLN A 64 2.167 -4.914 -4.339 1.00 0.00 C ATOM 1011 CD GLN A 64 3.482 -4.176 -4.602 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.381 -4.309 -3.631 1.00 0.00 O flip ATOM 1013 NE2 GLN A 64 3.667 -3.528 -5.620 1.00 0.00 N flip ATOM 0 H GLN A 64 1.886 -6.947 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 64 0.060 -6.639 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.092 -6.785 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.054 -6.116 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.330 -4.306 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.036 -5.061 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.934 -3.467 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.555 -3.047 -5.764 1.00 0.00 H new ATOM 1022 N ARG A 65 1.852 -9.382 -4.639 1.00 0.00 N ATOM 1023 CA ARG A 65 1.984 -10.735 -5.151 1.00 0.00 C ATOM 1024 C ARG A 65 0.610 -11.401 -5.252 1.00 0.00 C ATOM 1025 O ARG A 65 0.272 -11.981 -6.282 1.00 0.00 O ATOM 1026 CB ARG A 65 2.887 -11.579 -4.250 1.00 0.00 C ATOM 1027 CG ARG A 65 2.334 -12.997 -4.093 1.00 0.00 C ATOM 1028 CD ARG A 65 3.401 -13.943 -3.537 1.00 0.00 C ATOM 1029 NE ARG A 65 2.799 -14.852 -2.536 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.439 -15.891 -1.983 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.705 -16.160 -2.331 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.814 -16.661 -1.083 1.00 0.00 N ATOM 0 H ARG A 65 2.443 -9.171 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 65 2.435 -10.672 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.891 -11.621 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.973 -11.108 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.472 -12.983 -3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.985 -13.364 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.843 -14.523 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.206 -13.368 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 65 1.836 -14.676 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.181 -15.574 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.193 -16.951 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.850 -16.457 -0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.302 -17.452 -0.662 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.145 -11.294 -4.168 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.474 -11.879 -4.122 1.00 0.00 C ATOM 1048 C GLN A 66 -2.421 -11.120 -5.055 1.00 0.00 C ATOM 1049 O GLN A 66 -3.171 -11.731 -5.814 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.015 -11.898 -2.691 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.090 -12.692 -1.766 1.00 0.00 C ATOM 1052 CD GLN A 66 -0.683 -11.858 -0.549 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -0.369 -10.683 -0.647 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.708 -12.529 0.599 1.00 0.00 N ATOM 0 H GLN A 66 0.138 -10.811 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.407 -12.912 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.115 -10.877 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.012 -12.339 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.593 -13.601 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.200 -13.001 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.981 -13.512 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.454 -12.061 1.469 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.354 -9.800 -4.968 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.195 -8.951 -5.795 1.00 0.00 C ATOM 1065 C TYR A 67 -3.077 -9.335 -7.271 1.00 0.00 C ATOM 1066 O TYR A 67 -4.059 -9.743 -7.890 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.671 -7.526 -5.607 1.00 0.00 C ATOM 1068 CG TYR A 67 -3.229 -6.520 -6.615 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -4.578 -6.231 -6.627 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -2.383 -5.902 -7.514 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -5.104 -5.284 -7.576 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -2.908 -4.955 -8.463 1.00 0.00 C ATOM 1073 CZ TYR A 67 -4.243 -4.693 -8.447 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.739 -3.799 -9.344 1.00 0.00 O ATOM 0 H TYR A 67 -1.730 -9.297 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.242 -9.052 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.916 -7.190 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.584 -7.537 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.240 -6.715 -5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.327 -6.129 -7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.158 -5.049 -7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.257 -4.464 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.010 -3.456 -9.902 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.868 -9.191 -7.792 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.609 -9.517 -9.184 1.00 0.00 C ATOM 1086 C LYS A 68 -2.219 -10.883 -9.506 1.00 0.00 C ATOM 1087 O LYS A 68 -2.674 -11.115 -10.625 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.112 -9.426 -9.487 1.00 0.00 C ATOM 1089 CG LYS A 68 0.484 -8.135 -8.921 1.00 0.00 C ATOM 1090 CD LYS A 68 1.185 -7.329 -10.017 1.00 0.00 C ATOM 1091 CE LYS A 68 0.915 -5.832 -9.853 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.683 -5.289 -8.711 1.00 0.00 N ATOM 0 H LYS A 68 -1.056 -8.853 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.088 -8.790 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.402 -10.286 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.048 -9.463 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.305 -7.533 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.194 -8.374 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.258 -7.515 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.838 -7.660 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.189 -5.305 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.150 -5.664 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.026 -4.906 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.251 -6.047 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.312 -4.531 -9.045 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.210 -11.750 -8.504 1.00 0.00 N ATOM 1107 CA VAL A 69 -2.757 -13.086 -8.666 1.00 0.00 C ATOM 1108 C VAL A 69 -4.285 -13.016 -8.623 1.00 0.00 C ATOM 1109 O VAL A 69 -4.957 -13.453 -9.555 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.171 -14.023 -7.608 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -3.053 -15.260 -7.422 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -0.737 -14.420 -7.961 1.00 0.00 C ATOM 0 H VAL A 69 -1.833 -11.553 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.478 -13.498 -9.636 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.146 -13.484 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.614 -15.909 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.049 -14.952 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.125 -15.801 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.344 -15.086 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.727 -14.931 -8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.116 -13.526 -8.018 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.789 -12.462 -7.530 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.225 -12.328 -7.352 1.00 0.00 C ATOM 1124 C HIS A 70 -6.861 -11.850 -8.659 1.00 0.00 C ATOM 1125 O HIS A 70 -7.769 -12.493 -9.184 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.544 -11.414 -6.168 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.280 -12.041 -4.820 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -6.921 -11.630 -3.664 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.441 -13.052 -4.456 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -6.479 -12.367 -2.656 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -5.561 -13.248 -3.149 1.00 0.00 N ATOM 0 H HIS A 70 -4.228 -12.101 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.657 -13.299 -7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.952 -10.503 -6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.592 -11.120 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.789 -13.601 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.790 -12.285 -1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.051 -13.943 -2.603 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.360 -10.725 -9.147 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.867 -10.153 -10.382 1.00 0.00 C ATOM 1141 C LEU A 71 -7.098 -11.271 -11.400 1.00 0.00 C ATOM 1142 O LEU A 71 -8.194 -11.406 -11.942 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.936 -9.047 -10.883 1.00 0.00 C ATOM 1144 CG LEU A 71 -6.206 -7.644 -10.338 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -5.096 -6.673 -10.747 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -7.588 -7.146 -10.766 1.00 0.00 C ATOM 0 H LEU A 71 -5.607 -10.194 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.831 -9.673 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.911 -9.321 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.000 -9.011 -11.971 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.204 -7.695 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.313 -5.683 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.142 -7.023 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.041 -6.620 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.755 -6.146 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.642 -7.114 -11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.353 -7.822 -10.384 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.047 -12.045 -11.629 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.122 -13.148 -12.573 1.00 0.00 C ATOM 1160 C ASP A 72 -7.295 -14.055 -12.198 1.00 0.00 C ATOM 1161 O ASP A 72 -8.046 -14.495 -13.068 1.00 0.00 O ATOM 1162 CB ASP A 72 -4.844 -13.989 -12.539 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.138 -14.146 -13.887 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -4.768 -14.732 -14.793 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -2.983 -13.677 -13.980 1.00 0.00 O ATOM 0 H ASP A 72 -5.140 -11.930 -11.178 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.252 -12.730 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.148 -13.537 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.089 -14.980 -12.156 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.416 -14.309 -10.903 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.486 -15.156 -10.404 1.00 0.00 C ATOM 1172 C LEU A 73 -9.834 -14.495 -10.696 1.00 0.00 C ATOM 1173 O LEU A 73 -10.784 -15.164 -11.099 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.267 -15.478 -8.924 1.00 0.00 C ATOM 1175 CG LEU A 73 -6.845 -15.882 -8.528 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -6.786 -16.318 -7.063 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -6.299 -16.958 -9.469 1.00 0.00 C ATOM 0 H LEU A 73 -6.791 -13.943 -10.185 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.484 -16.116 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.552 -14.605 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.944 -16.285 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.201 -15.008 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.764 -16.600 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.105 -15.494 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.446 -17.172 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.287 -17.227 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.938 -17.840 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.282 -16.575 -10.489 1.00 0.00 H new ATOM 1189 N TRP A 74 -9.874 -13.188 -10.482 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.090 -12.428 -10.718 1.00 0.00 C ATOM 1191 C TRP A 74 -11.389 -12.468 -12.218 1.00 0.00 C ATOM 1192 O TRP A 74 -12.549 -12.418 -12.625 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.962 -11.005 -10.172 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.926 -10.004 -10.812 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -13.184 -9.720 -10.446 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.658 -9.159 -11.951 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.744 -8.759 -11.263 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.786 -8.407 -12.207 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.500 -9.035 -12.738 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.867 -7.478 -13.251 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.597 -8.102 -13.778 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.726 -7.337 -14.049 1.00 0.00 C ATOM 0 H TRP A 74 -9.084 -12.636 -10.148 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.931 -12.870 -10.183 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.134 -11.023 -9.096 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.940 -10.659 -10.325 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.695 -10.185 -9.616 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.687 -8.377 -11.188 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.606 -9.613 -12.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.762 -6.901 -13.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.735 -7.967 -14.414 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.722 -6.637 -14.872 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.323 -12.557 -13.000 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.457 -12.604 -14.446 1.00 0.00 C ATOM 1215 C VAL A 75 -11.066 -13.947 -14.854 1.00 0.00 C ATOM 1216 O VAL A 75 -11.880 -14.010 -15.773 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.102 -12.337 -15.105 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.149 -12.656 -16.601 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.651 -10.895 -14.865 1.00 0.00 C ATOM 0 H VAL A 75 -9.362 -12.598 -12.659 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.133 -11.822 -14.793 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.368 -12.998 -14.644 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.174 -12.458 -17.046 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.405 -13.706 -16.741 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.901 -12.031 -17.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.685 -10.731 -15.344 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.386 -10.209 -15.286 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.560 -10.716 -13.794 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.647 -14.989 -14.150 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.141 -16.327 -14.427 1.00 0.00 C ATOM 1231 C LYS A 76 -12.641 -16.384 -14.128 1.00 0.00 C ATOM 1232 O LYS A 76 -13.315 -17.343 -14.501 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.322 -17.370 -13.664 1.00 0.00 C ATOM 1234 CG LYS A 76 -8.902 -17.468 -14.225 1.00 0.00 C ATOM 1235 CD LYS A 76 -7.973 -18.183 -13.242 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.349 -19.660 -13.106 1.00 0.00 C ATOM 1237 NZ LYS A 76 -8.164 -20.116 -11.710 1.00 0.00 N ATOM 0 H LYS A 76 -9.971 -14.933 -13.388 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.016 -16.568 -15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.282 -17.105 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.811 -18.342 -13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.918 -18.006 -15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.519 -16.469 -14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.941 -18.097 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.028 -17.699 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.386 -19.807 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.734 -20.261 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.424 -21.120 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.169 -19.994 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.770 -19.554 -11.078 1.00 0.00 H new ATOM 1251 N SER A 77 -13.119 -15.345 -13.460 1.00 0.00 N ATOM 1252 CA SER A 77 -14.526 -15.265 -13.107 1.00 0.00 C ATOM 1253 C SER A 77 -15.227 -14.224 -13.982 1.00 0.00 C ATOM 1254 O SER A 77 -16.396 -13.911 -13.764 1.00 0.00 O ATOM 1255 CB SER A 77 -14.704 -14.921 -11.626 1.00 0.00 C ATOM 1256 OG SER A 77 -14.276 -15.982 -10.777 1.00 0.00 O ATOM 0 H SER A 77 -12.557 -14.551 -13.154 1.00 0.00 H new ATOM 0 HA SER A 77 -14.978 -16.241 -13.282 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.138 -14.019 -11.393 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.753 -14.699 -11.429 1.00 0.00 H new ATOM 0 HG SER A 77 -14.404 -15.723 -9.840 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.482 -13.716 -14.952 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.017 -12.716 -15.861 1.00 0.00 C ATOM 1264 C LEU A 78 -15.672 -13.416 -17.053 1.00 0.00 C ATOM 1265 O LEU A 78 -15.181 -14.441 -17.523 1.00 0.00 O ATOM 1266 CB LEU A 78 -13.930 -11.715 -16.257 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.621 -10.620 -15.234 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.539 -9.673 -15.755 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.893 -9.872 -14.831 1.00 0.00 C ATOM 0 H LEU A 78 -13.512 -13.978 -15.129 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.793 -12.130 -15.369 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.012 -12.267 -16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.226 -11.238 -17.192 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.228 -11.093 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.338 -8.904 -15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.626 -10.236 -15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.880 -9.203 -16.677 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.646 -9.099 -14.103 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.339 -9.411 -15.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.602 -10.572 -14.390 1.00 0.00 H new ATOM 1281 N SER A 79 -16.772 -12.834 -17.509 1.00 0.00 N ATOM 1282 CA SER A 79 -17.500 -13.389 -18.638 1.00 0.00 C ATOM 1283 C SER A 79 -16.650 -13.294 -19.906 1.00 0.00 C ATOM 1284 O SER A 79 -15.533 -12.780 -19.872 1.00 0.00 O ATOM 1285 CB SER A 79 -18.835 -12.670 -18.839 1.00 0.00 C ATOM 1286 OG SER A 79 -19.168 -11.840 -17.729 1.00 0.00 O ATOM 0 H SER A 79 -17.177 -11.984 -17.117 1.00 0.00 H new ATOM 0 HA SER A 79 -17.711 -14.437 -18.427 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.787 -12.064 -19.743 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.624 -13.407 -18.990 1.00 0.00 H new ATOM 0 HG SER A 79 -18.783 -10.948 -17.860 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.226 -13.810 -21.024 1.00 0.00 N ATOM 1293 CA PRO A 80 -16.534 -13.789 -22.302 1.00 0.00 C ATOM 1294 C PRO A 80 -16.541 -12.383 -22.906 1.00 0.00 C ATOM 1295 O PRO A 80 -15.758 -12.087 -23.807 1.00 0.00 O ATOM 1296 CB PRO A 80 -17.263 -14.809 -23.161 1.00 0.00 C ATOM 1297 CG PRO A 80 -18.614 -15.023 -22.498 1.00 0.00 C ATOM 1298 CD PRO A 80 -18.548 -14.426 -21.102 1.00 0.00 C ATOM 0 HA PRO A 80 -15.478 -14.045 -22.213 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.382 -14.446 -24.182 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.704 -15.743 -23.218 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -19.404 -14.548 -23.079 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.851 -16.086 -22.448 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.337 -13.690 -20.948 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.673 -15.192 -20.337 1.00 0.00 H new ATOM 1306 N GLN A 81 -17.434 -11.555 -22.385 1.00 0.00 N ATOM 1307 CA GLN A 81 -17.553 -10.187 -22.861 1.00 0.00 C ATOM 1308 C GLN A 81 -16.660 -9.258 -22.037 1.00 0.00 C ATOM 1309 O GLN A 81 -15.916 -8.452 -22.594 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.010 -9.720 -22.827 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.919 -10.705 -23.564 1.00 0.00 C ATOM 1312 CD GLN A 81 -21.381 -10.513 -23.156 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.787 -10.815 -22.046 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.146 -9.995 -24.112 1.00 0.00 N ATOM 0 H GLN A 81 -18.082 -11.805 -21.638 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.219 -10.153 -23.898 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.339 -9.620 -21.793 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.090 -8.734 -23.284 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.817 -10.564 -24.640 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -19.608 -11.726 -23.345 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.742 -9.765 -25.020 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.137 -9.828 -23.938 1.00 0.00 H new ATOM 1323 N ASP A 82 -16.763 -9.401 -20.724 1.00 0.00 N ATOM 1324 CA ASP A 82 -15.974 -8.585 -19.818 1.00 0.00 C ATOM 1325 C ASP A 82 -14.487 -8.813 -20.097 1.00 0.00 C ATOM 1326 O ASP A 82 -13.768 -7.880 -20.453 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.245 -8.961 -18.360 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.494 -8.323 -17.749 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.486 -7.081 -17.608 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.428 -9.092 -17.435 1.00 0.00 O ATOM 0 H ASP A 82 -17.381 -10.070 -20.266 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.248 -7.542 -19.978 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.338 -10.045 -18.291 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.380 -8.677 -17.761 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.070 -10.059 -19.924 1.00 0.00 N ATOM 1336 CA ARG A 83 -12.681 -10.421 -20.153 1.00 0.00 C ATOM 1337 C ARG A 83 -12.204 -9.871 -21.499 1.00 0.00 C ATOM 1338 O ARG A 83 -11.129 -9.280 -21.585 1.00 0.00 O ATOM 1339 CB ARG A 83 -12.499 -11.940 -20.136 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.155 -12.324 -19.514 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.200 -13.743 -18.944 1.00 0.00 C ATOM 1342 NE ARG A 83 -9.995 -14.495 -19.362 1.00 0.00 N ATOM 1343 CZ ARG A 83 -9.851 -15.820 -19.223 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -10.834 -16.547 -18.676 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -8.723 -16.417 -19.631 1.00 0.00 N ATOM 0 H ARG A 83 -14.669 -10.830 -19.628 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.087 -9.986 -19.349 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.310 -12.401 -19.572 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.557 -12.328 -21.153 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.369 -12.255 -20.266 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.902 -11.618 -18.723 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.256 -13.705 -17.856 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.097 -14.255 -19.292 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.227 -13.972 -19.782 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.692 -16.092 -18.365 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.724 -17.556 -18.570 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.974 -15.863 -20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.613 -17.426 -19.525 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.026 -10.086 -22.515 1.00 0.00 N ATOM 1360 CA ALA A 84 -12.702 -9.619 -23.852 1.00 0.00 C ATOM 1361 C ALA A 84 -12.172 -8.186 -23.773 1.00 0.00 C ATOM 1362 O ALA A 84 -11.081 -7.896 -24.260 1.00 0.00 O ATOM 1363 CB ALA A 84 -13.937 -9.736 -24.747 1.00 0.00 C ATOM 0 H ALA A 84 -13.916 -10.578 -22.439 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.919 -10.235 -24.295 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.694 -9.386 -25.750 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.255 -10.777 -24.794 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.743 -9.128 -24.336 1.00 0.00 H new ATOM 1369 N ALA A 85 -12.971 -7.328 -23.155 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.596 -5.932 -23.006 1.00 0.00 C ATOM 1371 C ALA A 85 -11.332 -5.836 -22.149 1.00 0.00 C ATOM 1372 O ALA A 85 -10.273 -5.448 -22.639 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.767 -5.150 -22.407 1.00 0.00 C ATOM 0 H ALA A 85 -13.876 -7.572 -22.752 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.371 -5.490 -23.976 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.486 -4.103 -22.295 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.631 -5.225 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.020 -5.564 -21.431 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.486 -6.196 -20.883 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.370 -6.156 -19.953 1.00 0.00 C ATOM 1381 C TYR A 86 -9.064 -6.547 -20.646 1.00 0.00 C ATOM 1382 O TYR A 86 -8.065 -5.837 -20.542 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.687 -7.188 -18.869 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.648 -7.253 -17.748 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.628 -6.281 -16.768 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.729 -8.282 -17.718 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -8.650 -6.342 -15.713 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.751 -8.343 -16.663 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.759 -7.370 -15.713 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.835 -7.428 -14.717 1.00 0.00 O ATOM 0 H TYR A 86 -12.366 -6.517 -20.480 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.243 -5.151 -19.550 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.660 -6.957 -18.435 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.769 -8.172 -19.331 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.346 -5.475 -16.793 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.743 -9.041 -18.486 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.624 -5.589 -14.939 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.027 -9.144 -16.627 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.266 -8.216 -14.844 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.114 -7.675 -21.339 1.00 0.00 N ATOM 1401 CA LYS A 87 -7.947 -8.169 -22.049 1.00 0.00 C ATOM 1402 C LYS A 87 -7.440 -7.087 -23.004 1.00 0.00 C ATOM 1403 O LYS A 87 -6.251 -6.770 -23.015 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.262 -9.499 -22.739 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.650 -10.673 -21.971 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.613 -11.405 -22.826 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.942 -12.896 -22.928 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.387 -13.630 -21.769 1.00 0.00 N ATOM 0 H LYS A 87 -9.945 -8.261 -21.424 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.139 -8.382 -21.350 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.342 -9.629 -22.810 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.875 -9.485 -23.758 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.182 -10.310 -21.056 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.436 -11.367 -21.673 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.583 -10.966 -23.823 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.622 -11.276 -22.392 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.022 -13.034 -22.970 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.533 -13.302 -23.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.619 -14.640 -21.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.354 -13.513 -21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.797 -13.253 -20.891 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.367 -6.548 -23.783 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.029 -5.508 -24.739 1.00 0.00 C ATOM 1424 C GLU A 88 -7.005 -4.545 -24.136 1.00 0.00 C ATOM 1425 O GLU A 88 -6.100 -4.081 -24.828 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.281 -4.759 -25.200 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.426 -3.427 -24.461 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.705 -2.701 -24.884 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -10.913 -2.587 -26.111 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.446 -2.278 -23.970 1.00 0.00 O ATOM 0 H GLU A 88 -9.352 -6.813 -23.771 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.584 -5.978 -25.616 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.227 -4.579 -26.274 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.163 -5.375 -25.024 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.443 -3.604 -23.386 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.561 -2.797 -24.667 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.181 -4.272 -22.851 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.283 -3.373 -22.147 1.00 0.00 C ATOM 1439 C TYR A 89 -5.030 -4.111 -21.671 1.00 0.00 C ATOM 1440 O TYR A 89 -3.924 -3.578 -21.751 1.00 0.00 O ATOM 1441 CB TYR A 89 -7.060 -2.873 -20.927 1.00 0.00 C ATOM 1442 CG TYR A 89 -6.172 -2.352 -19.795 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.578 -1.110 -19.898 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.964 -3.124 -18.670 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.742 -0.621 -18.833 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -5.128 -2.635 -17.604 1.00 0.00 C ATOM 1447 CZ TYR A 89 -4.559 -1.407 -17.739 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.769 -0.944 -16.732 1.00 0.00 O ATOM 0 H TYR A 89 -7.933 -4.658 -22.279 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.961 -2.562 -22.800 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.736 -2.077 -21.240 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.679 -3.685 -20.545 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.741 -0.505 -20.778 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.429 -4.096 -18.589 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.271 0.348 -18.902 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.957 -3.229 -16.719 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.729 -1.610 -16.015 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.245 -5.325 -21.187 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.146 -6.141 -20.699 1.00 0.00 C ATOM 1460 C ILE A 90 -3.045 -6.193 -21.759 1.00 0.00 C ATOM 1461 O ILE A 90 -1.944 -5.690 -21.541 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.652 -7.520 -20.269 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.689 -7.399 -19.150 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.489 -8.433 -19.878 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -5.011 -7.163 -17.799 1.00 0.00 C ATOM 0 H ILE A 90 -6.164 -5.764 -21.122 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.708 -5.695 -19.806 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.151 -7.982 -21.121 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.370 -6.577 -19.368 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.290 -8.307 -19.106 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.876 -9.406 -19.577 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.821 -8.556 -20.730 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.940 -7.988 -19.048 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.770 -7.081 -17.021 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.349 -7.999 -17.573 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.431 -6.241 -17.839 1.00 0.00 H new