USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.8!) USER MOD Single : A 17 TYR OH : rot -172:sc= 0.326 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -75:sc= 0.613 USER MOD Single : A 25 HIS : no HD1:sc= -0.069 X(o=-0.069,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.17) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 2.34 (180deg=2.24) USER MOD Single : A 45 THR OG1 : rot 77:sc= 1.21 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.83) USER MOD Single : B 17 TYR OH : rot -165:sc= 0.652 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -82:sc= 0.737 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.7!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 149:sc= 1.27 (180deg=0.174) USER MOD Single : B 39 HIS : +bothHN:sc= -0.216 K(o=-0.22,f=-5.1) USER MOD Single : B 45 THR OG1 : rot 92:sc= 1.25 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.597 12.204 -9.441 1.00 0.00 C HETATM 2 O ACE A 0 3.923 12.408 -10.608 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.745 13.208 -8.700 1.00 0.00 C HETATM 0 H1 ACE A 0 1.817 12.733 -8.382 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.286 13.569 -7.825 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.517 14.047 -9.357 1.00 0.00 H new ATOM 7 N ASP A 1 3.944 11.117 -8.757 1.00 0.00 N ATOM 8 CA ASP A 1 4.843 10.058 -9.261 1.00 0.00 C ATOM 9 C ASP A 1 4.341 8.637 -8.981 1.00 0.00 C ATOM 10 O ASP A 1 4.659 7.704 -9.717 1.00 0.00 O ATOM 11 CB ASP A 1 6.223 10.258 -8.625 1.00 0.00 C ATOM 12 CG ASP A 1 7.318 9.422 -9.312 1.00 0.00 C ATOM 13 OD1 ASP A 1 7.627 9.685 -10.499 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.901 8.528 -8.652 1.00 0.00 O ATOM 0 H ASP A 1 3.605 10.935 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 1 4.884 10.150 -10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.492 11.313 -8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.175 9.990 -7.570 1.00 0.00 H new ATOM 19 N TYR A 2 3.491 8.486 -7.963 1.00 0.00 N ATOM 20 CA TYR A 2 2.838 7.219 -7.616 1.00 0.00 C ATOM 21 C TYR A 2 2.123 6.599 -8.818 1.00 0.00 C ATOM 22 O TYR A 2 2.229 5.404 -9.049 1.00 0.00 O ATOM 23 CB TYR A 2 1.808 7.418 -6.489 1.00 0.00 C ATOM 24 CG TYR A 2 2.149 8.465 -5.448 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.328 8.354 -4.684 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.300 9.576 -5.277 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.661 9.362 -3.759 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.628 10.581 -4.350 1.00 0.00 C ATOM 29 CZ TYR A 2 2.812 10.478 -3.587 1.00 0.00 C ATOM 30 OH TYR A 2 3.132 11.461 -2.701 1.00 0.00 O ATOM 0 H TYR A 2 3.232 9.254 -7.344 1.00 0.00 H new ATOM 0 HA TYR A 2 3.629 6.547 -7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.852 7.683 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.667 6.464 -5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.975 7.498 -4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.394 9.656 -5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.569 9.282 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.975 11.431 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 2 2.437 12.151 -2.713 1.00 0.00 H new ATOM 40 N LEU A 3 1.421 7.416 -9.607 1.00 0.00 N ATOM 41 CA LEU A 3 0.542 6.981 -10.700 1.00 0.00 C ATOM 42 C LEU A 3 1.318 6.233 -11.793 1.00 0.00 C ATOM 43 O LEU A 3 0.826 5.247 -12.343 1.00 0.00 O ATOM 44 CB LEU A 3 -0.218 8.178 -11.297 1.00 0.00 C ATOM 45 CG LEU A 3 -1.136 8.900 -10.295 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.818 10.073 -10.996 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.235 8.010 -9.707 1.00 0.00 C ATOM 0 H LEU A 3 1.448 8.430 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.182 6.284 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.504 8.893 -11.693 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.818 7.831 -12.139 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.494 9.219 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.470 10.589 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.062 10.766 -11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.410 9.702 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.840 8.591 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.868 7.634 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.781 7.171 -9.181 1.00 0.00 H new ATOM 59 N ARG A 4 2.563 6.665 -12.049 1.00 0.00 N ATOM 60 CA ARG A 4 3.530 5.974 -12.913 1.00 0.00 C ATOM 61 C ARG A 4 3.838 4.575 -12.381 1.00 0.00 C ATOM 62 O ARG A 4 3.761 3.599 -13.123 1.00 0.00 O ATOM 63 CB ARG A 4 4.823 6.813 -12.990 1.00 0.00 C ATOM 64 CG ARG A 4 5.766 6.355 -14.115 1.00 0.00 C ATOM 65 CD ARG A 4 5.508 7.123 -15.418 1.00 0.00 C ATOM 66 NE ARG A 4 6.163 8.449 -15.415 1.00 0.00 N ATOM 67 CZ ARG A 4 7.429 8.713 -15.697 1.00 0.00 C ATOM 68 NH1 ARG A 4 8.279 7.784 -16.037 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.875 9.935 -15.640 1.00 0.00 N ATOM 0 H ARG A 4 2.933 7.527 -11.650 1.00 0.00 H new ATOM 0 HA ARG A 4 3.101 5.863 -13.909 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.562 7.860 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.347 6.753 -12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.801 6.501 -13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.633 5.287 -14.289 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.874 6.539 -16.262 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.434 7.249 -15.559 1.00 0.00 H new ATOM 0 HE ARG A 4 5.576 9.246 -15.169 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.976 6.812 -16.093 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.246 8.030 -16.247 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.248 10.695 -15.377 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.852 10.132 -15.858 1.00 0.00 H new ATOM 83 N GLU A 5 4.163 4.479 -11.092 1.00 0.00 N ATOM 84 CA GLU A 5 4.567 3.211 -10.460 1.00 0.00 C ATOM 85 C GLU A 5 3.381 2.236 -10.331 1.00 0.00 C ATOM 86 O GLU A 5 3.512 1.035 -10.572 1.00 0.00 O ATOM 87 CB GLU A 5 5.221 3.519 -9.104 1.00 0.00 C ATOM 88 CG GLU A 5 5.776 2.271 -8.406 1.00 0.00 C ATOM 89 CD GLU A 5 6.680 2.644 -7.214 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.206 3.314 -6.266 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.878 2.265 -7.218 1.00 0.00 O ATOM 0 H GLU A 5 4.156 5.273 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 5 5.296 2.706 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.029 4.235 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.488 3.996 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.950 1.651 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.343 1.675 -9.121 1.00 0.00 H new ATOM 98 N LEU A 6 2.205 2.783 -10.023 1.00 0.00 N ATOM 99 CA LEU A 6 0.910 2.119 -9.914 1.00 0.00 C ATOM 100 C LEU A 6 0.498 1.427 -11.217 1.00 0.00 C ATOM 101 O LEU A 6 0.371 0.201 -11.259 1.00 0.00 O ATOM 102 CB LEU A 6 -0.113 3.198 -9.488 1.00 0.00 C ATOM 103 CG LEU A 6 -0.042 3.559 -7.994 1.00 0.00 C ATOM 104 CD1 LEU A 6 -0.935 4.755 -7.668 1.00 0.00 C ATOM 105 CD2 LEU A 6 -0.505 2.399 -7.137 1.00 0.00 C ATOM 0 H LEU A 6 2.130 3.781 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 6 0.959 1.321 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.054 4.098 -10.079 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.118 2.846 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 6 0.999 3.801 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.862 4.984 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.612 5.619 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.969 4.516 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.446 2.678 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.536 2.149 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.133 1.534 -7.320 1.00 0.00 H new ATOM 117 N LEU A 7 0.325 2.192 -12.295 1.00 0.00 N ATOM 118 CA LEU A 7 -0.140 1.705 -13.578 1.00 0.00 C ATOM 119 C LEU A 7 0.877 0.749 -14.230 1.00 0.00 C ATOM 120 O LEU A 7 0.510 -0.341 -14.658 1.00 0.00 O ATOM 121 CB LEU A 7 -0.456 2.950 -14.418 1.00 0.00 C ATOM 122 CG LEU A 7 -0.716 2.638 -15.889 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.886 1.681 -16.118 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.977 3.923 -16.671 1.00 0.00 C ATOM 0 H LEU A 7 0.512 3.195 -12.292 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.038 1.095 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.330 3.449 -14.000 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.376 3.650 -14.344 1.00 0.00 H new ATOM 0 HG LEU A 7 0.187 2.143 -16.245 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.010 1.507 -17.187 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.685 0.734 -15.617 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.799 2.119 -15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.160 3.681 -17.718 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.849 4.430 -16.258 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.108 4.577 -16.597 1.00 0.00 H new ATOM 136 N LYS A 8 2.160 1.133 -14.277 1.00 0.00 N ATOM 137 CA LYS A 8 3.217 0.337 -14.902 1.00 0.00 C ATOM 138 C LYS A 8 3.501 -0.973 -14.144 1.00 0.00 C ATOM 139 O LYS A 8 3.989 -1.928 -14.731 1.00 0.00 O ATOM 140 CB LYS A 8 4.478 1.204 -15.072 1.00 0.00 C ATOM 141 CG LYS A 8 5.487 0.716 -16.122 1.00 0.00 C ATOM 142 CD LYS A 8 4.907 0.697 -17.547 1.00 0.00 C ATOM 143 CE LYS A 8 6.025 0.436 -18.561 1.00 0.00 C ATOM 144 NZ LYS A 8 5.500 0.377 -19.950 1.00 0.00 N ATOM 0 H LYS A 8 2.492 2.011 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 8 2.874 0.024 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.168 2.215 -15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.985 1.267 -14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.366 1.361 -16.101 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.822 -0.287 -15.858 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.143 -0.076 -17.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.422 1.649 -17.764 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.775 1.224 -18.488 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.524 -0.502 -18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.284 0.199 -20.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.803 -0.391 -20.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.046 1.282 -20.188 1.00 0.00 H new ATOM 158 N GLY A 9 3.200 -1.023 -12.840 1.00 0.00 N ATOM 159 CA GLY A 9 3.533 -2.100 -11.939 1.00 0.00 C ATOM 160 C GLY A 9 2.436 -3.089 -11.601 1.00 0.00 C ATOM 161 O GLY A 9 2.711 -4.281 -11.450 1.00 0.00 O ATOM 0 H GLY A 9 2.693 -0.270 -12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.366 -2.655 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.891 -1.662 -11.007 1.00 0.00 H new ATOM 165 N GLU A 10 1.182 -2.655 -11.543 1.00 0.00 N ATOM 166 CA GLU A 10 0.059 -3.596 -11.378 1.00 0.00 C ATOM 167 C GLU A 10 -0.005 -4.627 -12.511 1.00 0.00 C ATOM 168 O GLU A 10 -0.329 -5.794 -12.258 1.00 0.00 O ATOM 169 CB GLU A 10 -1.276 -2.836 -11.269 1.00 0.00 C ATOM 170 CG GLU A 10 -1.503 -2.123 -9.924 1.00 0.00 C ATOM 171 CD GLU A 10 -2.258 -3.013 -8.939 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.957 -4.176 -8.623 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.378 -2.779 -8.441 1.00 0.00 O ATOM 0 H GLU A 10 0.910 -1.674 -11.606 1.00 0.00 H new ATOM 0 HA GLU A 10 0.234 -4.142 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.324 -2.097 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.093 -3.539 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.542 -1.838 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.064 -1.203 -10.089 1.00 0.00 H new ATOM 180 N LEU A 11 0.371 -4.260 -13.743 1.00 0.00 N ATOM 181 CA LEU A 11 0.388 -5.217 -14.857 1.00 0.00 C ATOM 182 C LEU A 11 1.452 -6.323 -14.708 1.00 0.00 C ATOM 183 O LEU A 11 1.259 -7.454 -15.159 1.00 0.00 O ATOM 184 CB LEU A 11 0.413 -4.404 -16.166 1.00 0.00 C ATOM 185 CG LEU A 11 1.727 -4.434 -16.955 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.769 -5.587 -17.961 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.912 -3.126 -17.722 1.00 0.00 C ATOM 0 H LEU A 11 0.665 -3.316 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.520 -5.820 -14.864 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.384 -4.771 -16.813 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.179 -3.366 -15.929 1.00 0.00 H new ATOM 0 HG LEU A 11 2.527 -4.572 -16.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.718 -5.568 -18.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.669 -6.535 -17.432 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.949 -5.480 -18.672 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.849 -3.160 -18.278 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.082 -2.991 -18.416 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.937 -2.293 -17.020 1.00 0.00 H new ATOM 199 N GLN A 12 2.533 -6.021 -13.989 1.00 0.00 N ATOM 200 CA GLN A 12 3.641 -6.922 -13.696 1.00 0.00 C ATOM 201 C GLN A 12 3.223 -8.067 -12.751 1.00 0.00 C ATOM 202 O GLN A 12 3.886 -9.105 -12.702 1.00 0.00 O ATOM 203 CB GLN A 12 4.812 -6.082 -13.141 1.00 0.00 C ATOM 204 CG GLN A 12 6.153 -6.837 -13.187 1.00 0.00 C ATOM 205 CD GLN A 12 7.328 -5.981 -12.709 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.524 -4.845 -13.124 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.167 -6.487 -11.828 1.00 0.00 N ATOM 0 H GLN A 12 2.663 -5.097 -13.577 1.00 0.00 H new ATOM 0 HA GLN A 12 3.964 -7.420 -14.610 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.898 -5.160 -13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.594 -5.797 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.084 -7.731 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.343 -7.171 -14.207 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.022 -7.431 -11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.961 -5.935 -11.504 1.00 0.00 H new ATOM 216 N GLY A 13 2.094 -7.916 -12.041 1.00 0.00 N ATOM 217 CA GLY A 13 1.540 -8.956 -11.175 1.00 0.00 C ATOM 218 C GLY A 13 0.614 -9.903 -11.934 1.00 0.00 C ATOM 219 O GLY A 13 0.665 -11.114 -11.704 1.00 0.00 O ATOM 0 H GLY A 13 1.539 -7.060 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.354 -9.527 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.990 -8.491 -10.357 1.00 0.00 H new ATOM 223 N ILE A 14 -0.185 -9.387 -12.883 1.00 0.00 N ATOM 224 CA ILE A 14 -1.208 -10.202 -13.576 1.00 0.00 C ATOM 225 C ILE A 14 -0.574 -11.408 -14.281 1.00 0.00 C ATOM 226 O ILE A 14 -1.054 -12.539 -14.156 1.00 0.00 O ATOM 227 CB ILE A 14 -2.021 -9.354 -14.586 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.738 -8.178 -13.890 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.057 -10.224 -15.328 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.366 -7.178 -14.867 1.00 0.00 C ATOM 0 H ILE A 14 -0.146 -8.415 -13.190 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.894 -10.571 -12.814 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.312 -8.949 -15.308 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.516 -8.573 -13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.025 -7.653 -13.254 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.615 -9.605 -16.031 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.544 -11.018 -15.871 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.746 -10.664 -14.607 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.852 -6.379 -14.307 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.589 -6.754 -15.504 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.104 -7.688 -15.486 1.00 0.00 H new ATOM 242 N LYS A 15 0.531 -11.172 -15.000 1.00 0.00 N ATOM 243 CA LYS A 15 1.165 -12.192 -15.847 1.00 0.00 C ATOM 244 C LYS A 15 1.876 -13.297 -15.060 1.00 0.00 C ATOM 245 O LYS A 15 1.953 -14.431 -15.531 1.00 0.00 O ATOM 246 CB LYS A 15 2.101 -11.539 -16.878 1.00 0.00 C ATOM 247 CG LYS A 15 1.294 -10.887 -18.016 1.00 0.00 C ATOM 248 CD LYS A 15 2.164 -10.199 -19.077 1.00 0.00 C ATOM 249 CE LYS A 15 3.119 -11.174 -19.780 1.00 0.00 C ATOM 250 NZ LYS A 15 3.864 -10.512 -20.880 1.00 0.00 N ATOM 0 H LYS A 15 1.010 -10.271 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 15 0.355 -12.693 -16.377 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.720 -10.787 -16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.776 -12.289 -17.289 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.683 -11.650 -18.499 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.610 -10.154 -17.590 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.520 -9.728 -19.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.743 -9.404 -18.607 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.824 -11.580 -19.055 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.552 -12.015 -20.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.499 -11.200 -21.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.191 -10.147 -21.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.424 -9.725 -20.495 1.00 0.00 H new ATOM 264 N GLN A 16 2.358 -12.993 -13.854 1.00 0.00 N ATOM 265 CA GLN A 16 3.023 -13.944 -12.971 1.00 0.00 C ATOM 266 C GLN A 16 2.028 -14.851 -12.247 1.00 0.00 C ATOM 267 O GLN A 16 2.243 -16.060 -12.142 1.00 0.00 O ATOM 268 CB GLN A 16 3.866 -13.155 -11.961 1.00 0.00 C ATOM 269 CG GLN A 16 5.186 -12.613 -12.533 1.00 0.00 C ATOM 270 CD GLN A 16 6.288 -13.672 -12.664 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.057 -14.865 -12.807 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.542 -13.277 -12.607 1.00 0.00 N ATOM 0 H GLN A 16 2.294 -12.055 -13.457 1.00 0.00 H new ATOM 0 HA GLN A 16 3.658 -14.597 -13.570 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.275 -12.320 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.088 -13.797 -11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.994 -12.179 -13.514 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.544 -11.807 -11.893 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.760 -12.288 -12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.296 -13.960 -12.682 1.00 0.00 H new ATOM 281 N TYR A 17 0.899 -14.295 -11.810 1.00 0.00 N ATOM 282 CA TYR A 17 -0.152 -15.059 -11.146 1.00 0.00 C ATOM 283 C TYR A 17 -0.757 -16.154 -12.026 1.00 0.00 C ATOM 284 O TYR A 17 -1.062 -17.242 -11.532 1.00 0.00 O ATOM 285 CB TYR A 17 -1.254 -14.103 -10.685 1.00 0.00 C ATOM 286 CG TYR A 17 -0.962 -13.364 -9.389 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.509 -14.064 -8.250 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.174 -11.974 -9.312 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.243 -13.376 -7.053 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.925 -11.284 -8.111 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.459 -11.984 -6.977 1.00 0.00 C ATOM 292 OH TYR A 17 -0.315 -11.342 -5.787 1.00 0.00 O ATOM 0 H TYR A 17 0.689 -13.302 -11.907 1.00 0.00 H new ATOM 0 HA TYR A 17 0.309 -15.563 -10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.431 -13.370 -11.472 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.178 -14.669 -10.563 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.366 -15.133 -8.298 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.529 -11.435 -10.178 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.127 -13.913 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.091 -10.218 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.618 -10.414 -5.877 1.00 0.00 H new ATOM 302 N ARG A 18 -0.893 -15.895 -13.334 1.00 0.00 N ATOM 303 CA ARG A 18 -1.437 -16.882 -14.280 1.00 0.00 C ATOM 304 C ARG A 18 -0.507 -18.090 -14.470 1.00 0.00 C ATOM 305 O ARG A 18 -0.977 -19.176 -14.804 1.00 0.00 O ATOM 306 CB ARG A 18 -1.813 -16.196 -15.614 1.00 0.00 C ATOM 307 CG ARG A 18 -3.325 -16.236 -15.931 1.00 0.00 C ATOM 308 CD ARG A 18 -3.786 -17.452 -16.754 1.00 0.00 C ATOM 309 NE ARG A 18 -3.409 -18.738 -16.136 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.122 -19.826 -15.955 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.374 -19.918 -16.304 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.555 -20.858 -15.405 1.00 0.00 N ATOM 0 H ARG A 18 -0.633 -15.007 -13.763 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.351 -17.292 -13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.485 -15.157 -15.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.268 -16.678 -16.426 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.878 -16.221 -14.992 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.591 -15.328 -16.472 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.869 -17.415 -16.873 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.354 -17.394 -17.753 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.448 -18.790 -15.798 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.842 -19.123 -16.739 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.886 -20.785 -16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.576 -20.812 -15.124 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.089 -21.714 -15.255 1.00 0.00 H new ATOM 326 N GLU A 19 0.792 -17.924 -14.228 1.00 0.00 N ATOM 327 CA GLU A 19 1.790 -19.000 -14.294 1.00 0.00 C ATOM 328 C GLU A 19 1.856 -19.836 -13.003 1.00 0.00 C ATOM 329 O GLU A 19 2.095 -21.041 -13.034 1.00 0.00 O ATOM 330 CB GLU A 19 3.159 -18.346 -14.530 1.00 0.00 C ATOM 331 CG GLU A 19 4.150 -19.298 -15.210 1.00 0.00 C ATOM 332 CD GLU A 19 5.465 -18.581 -15.570 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.507 -17.860 -16.598 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.477 -18.755 -14.848 1.00 0.00 O ATOM 0 H GLU A 19 1.192 -17.021 -13.975 1.00 0.00 H new ATOM 0 HA GLU A 19 1.509 -19.679 -15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.032 -17.456 -15.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.571 -18.017 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.362 -20.138 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.700 -19.709 -16.113 1.00 0.00 H new ATOM 341 N ALA A 20 1.644 -19.192 -11.853 1.00 0.00 N ATOM 342 CA ALA A 20 1.962 -19.720 -10.529 1.00 0.00 C ATOM 343 C ALA A 20 1.069 -20.895 -10.117 1.00 0.00 C ATOM 344 O ALA A 20 1.525 -21.768 -9.376 1.00 0.00 O ATOM 345 CB ALA A 20 1.880 -18.570 -9.518 1.00 0.00 C ATOM 0 H ALA A 20 1.233 -18.259 -11.819 1.00 0.00 H new ATOM 0 HA ALA A 20 2.973 -20.128 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.114 -18.944 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.594 -17.794 -9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.873 -18.154 -9.521 1.00 0.00 H new ATOM 351 N LEU A 21 -0.163 -20.967 -10.642 1.00 0.00 N ATOM 352 CA LEU A 21 -1.079 -22.099 -10.452 1.00 0.00 C ATOM 353 C LEU A 21 -0.433 -23.428 -10.848 1.00 0.00 C ATOM 354 O LEU A 21 -0.746 -24.441 -10.230 1.00 0.00 O ATOM 355 CB LEU A 21 -2.415 -21.828 -11.166 1.00 0.00 C ATOM 356 CG LEU A 21 -3.528 -22.867 -10.899 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.901 -22.193 -10.931 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.562 -23.985 -11.948 1.00 0.00 C ATOM 0 H LEU A 21 -0.557 -20.226 -11.221 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.301 -22.197 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.777 -20.846 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.232 -21.783 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.306 -23.294 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.676 -22.936 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.945 -21.420 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.062 -21.742 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.363 -24.684 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.739 -23.554 -12.933 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.608 -24.512 -11.949 1.00 0.00 H new ATOM 370 N GLU A 22 0.530 -23.435 -11.777 1.00 0.00 N ATOM 371 CA GLU A 22 1.245 -24.673 -12.131 1.00 0.00 C ATOM 372 C GLU A 22 2.009 -25.316 -10.963 1.00 0.00 C ATOM 373 O GLU A 22 2.153 -26.541 -10.918 1.00 0.00 O ATOM 374 CB GLU A 22 2.230 -24.400 -13.270 1.00 0.00 C ATOM 375 CG GLU A 22 1.540 -24.389 -14.639 1.00 0.00 C ATOM 376 CD GLU A 22 2.570 -24.347 -15.784 1.00 0.00 C ATOM 377 OE1 GLU A 22 3.150 -25.409 -16.121 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.792 -23.264 -16.377 1.00 0.00 O ATOM 0 H GLU A 22 0.832 -22.609 -12.294 1.00 0.00 H new ATOM 0 HA GLU A 22 0.473 -25.381 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.719 -23.440 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.010 -25.161 -13.264 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.915 -25.276 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.880 -23.525 -14.709 1.00 0.00 H new ATOM 385 N TYR A 23 2.436 -24.501 -9.999 1.00 0.00 N ATOM 386 CA TYR A 23 3.186 -24.918 -8.806 1.00 0.00 C ATOM 387 C TYR A 23 2.390 -24.779 -7.493 1.00 0.00 C ATOM 388 O TYR A 23 2.928 -25.052 -6.418 1.00 0.00 O ATOM 389 CB TYR A 23 4.505 -24.132 -8.754 1.00 0.00 C ATOM 390 CG TYR A 23 5.409 -24.372 -9.950 1.00 0.00 C ATOM 391 CD1 TYR A 23 6.092 -25.599 -10.070 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.554 -23.385 -10.944 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.920 -25.839 -11.184 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.382 -23.622 -12.059 1.00 0.00 C ATOM 395 CZ TYR A 23 7.068 -24.852 -12.181 1.00 0.00 C ATOM 396 OH TYR A 23 7.871 -25.094 -13.254 1.00 0.00 O ATOM 0 H TYR A 23 2.265 -23.496 -10.025 1.00 0.00 H new ATOM 0 HA TYR A 23 3.389 -25.985 -8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.280 -23.067 -8.688 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.042 -24.401 -7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.980 -26.356 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.030 -22.445 -10.851 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.442 -26.780 -11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.493 -22.864 -12.820 1.00 0.00 H new ATOM 0 HH TYR A 23 7.865 -24.316 -13.849 1.00 0.00 H new ATOM 406 N THR A 24 1.114 -24.373 -7.559 1.00 0.00 N ATOM 407 CA THR A 24 0.299 -24.026 -6.372 1.00 0.00 C ATOM 408 C THR A 24 -1.146 -24.547 -6.390 1.00 0.00 C ATOM 409 O THR A 24 -1.714 -24.749 -5.318 1.00 0.00 O ATOM 410 CB THR A 24 0.275 -22.508 -6.150 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.176 -21.864 -7.302 1.00 0.00 O ATOM 412 CG2 THR A 24 1.626 -21.891 -5.794 1.00 0.00 C ATOM 0 H THR A 24 0.610 -24.274 -8.440 1.00 0.00 H new ATOM 0 HA THR A 24 0.799 -24.538 -5.549 1.00 0.00 H new ATOM 0 HB THR A 24 -0.391 -22.365 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.536 -21.862 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.510 -20.816 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.998 -22.337 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.336 -22.079 -6.600 1.00 0.00 H new ATOM 420 N HIS A 25 -1.724 -24.833 -7.569 1.00 0.00 N ATOM 421 CA HIS A 25 -3.002 -25.547 -7.794 1.00 0.00 C ATOM 422 C HIS A 25 -4.176 -25.183 -6.845 1.00 0.00 C ATOM 423 O HIS A 25 -4.950 -26.057 -6.445 1.00 0.00 O ATOM 424 CB HIS A 25 -2.704 -27.060 -7.879 1.00 0.00 C ATOM 425 CG HIS A 25 -2.053 -27.466 -9.181 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.717 -27.976 -10.283 1.00 0.00 N ATOM 427 CD2 HIS A 25 -0.728 -27.367 -9.508 1.00 0.00 C ATOM 428 CE1 HIS A 25 -1.811 -28.180 -11.261 1.00 0.00 C ATOM 429 NE2 HIS A 25 -0.592 -27.826 -10.804 1.00 0.00 N ATOM 0 H HIS A 25 -1.287 -24.556 -8.448 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.404 -25.194 -8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.054 -27.343 -7.051 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.634 -27.614 -7.757 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.063 -26.999 -8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.026 -28.564 -12.247 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.282 -27.887 -11.327 1.00 0.00 H new ATOM 438 N ASN A 26 -4.336 -23.900 -6.497 1.00 0.00 N ATOM 439 CA ASN A 26 -5.328 -23.418 -5.517 1.00 0.00 C ATOM 440 C ASN A 26 -6.424 -22.517 -6.140 1.00 0.00 C ATOM 441 O ASN A 26 -6.203 -21.901 -7.184 1.00 0.00 O ATOM 442 CB ASN A 26 -4.570 -22.730 -4.353 1.00 0.00 C ATOM 443 CG ASN A 26 -4.465 -23.602 -3.105 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.383 -24.821 -3.150 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.506 -23.006 -1.934 1.00 0.00 N ATOM 0 H ASN A 26 -3.770 -23.150 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.884 -24.273 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.567 -22.464 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.078 -21.800 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.469 -23.560 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.574 -21.990 -1.881 1.00 0.00 H new ATOM 452 N PRO A 27 -7.594 -22.372 -5.481 1.00 0.00 N ATOM 453 CA PRO A 27 -8.676 -21.482 -5.929 1.00 0.00 C ATOM 454 C PRO A 27 -8.397 -19.991 -5.657 1.00 0.00 C ATOM 455 O PRO A 27 -9.173 -19.126 -6.065 1.00 0.00 O ATOM 456 CB PRO A 27 -9.912 -21.960 -5.156 1.00 0.00 C ATOM 457 CG PRO A 27 -9.327 -22.453 -3.834 1.00 0.00 C ATOM 458 CD PRO A 27 -8.001 -23.078 -4.267 1.00 0.00 C ATOM 0 HA PRO A 27 -8.798 -21.538 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.629 -21.153 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.436 -22.755 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.178 -21.637 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.978 -23.180 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.248 -22.974 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.117 -24.145 -4.458 1.00 0.00 H new ATOM 466 N VAL A 28 -7.300 -19.672 -4.961 1.00 0.00 N ATOM 467 CA VAL A 28 -6.973 -18.326 -4.478 1.00 0.00 C ATOM 468 C VAL A 28 -6.354 -17.478 -5.586 1.00 0.00 C ATOM 469 O VAL A 28 -6.612 -16.281 -5.675 1.00 0.00 O ATOM 470 CB VAL A 28 -6.044 -18.437 -3.258 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.958 -17.104 -2.535 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.512 -19.467 -2.214 1.00 0.00 C ATOM 0 H VAL A 28 -6.594 -20.364 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.889 -17.820 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.084 -18.754 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.297 -17.199 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.564 -16.347 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.952 -16.808 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.807 -19.489 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.499 -19.188 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.562 -20.454 -2.674 1.00 0.00 H new ATOM 482 N LEU A 29 -5.611 -18.095 -6.506 1.00 0.00 N ATOM 483 CA LEU A 29 -5.048 -17.427 -7.682 1.00 0.00 C ATOM 484 C LEU A 29 -6.164 -16.884 -8.596 1.00 0.00 C ATOM 485 O LEU A 29 -6.086 -15.747 -9.065 1.00 0.00 O ATOM 486 CB LEU A 29 -4.125 -18.426 -8.395 1.00 0.00 C ATOM 487 CG LEU A 29 -2.992 -18.967 -7.493 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.091 -20.478 -7.346 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.617 -18.594 -8.043 1.00 0.00 C ATOM 0 H LEU A 29 -5.380 -19.087 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.462 -16.556 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.720 -19.263 -8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.685 -17.944 -9.268 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.111 -18.505 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.283 -20.835 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.050 -20.738 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.011 -20.945 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.843 -18.989 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.497 -19.017 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.529 -17.509 -8.096 1.00 0.00 H new ATOM 501 N ALA A 30 -7.264 -17.638 -8.719 1.00 0.00 N ATOM 502 CA ALA A 30 -8.533 -17.245 -9.348 1.00 0.00 C ATOM 503 C ALA A 30 -9.348 -16.184 -8.556 1.00 0.00 C ATOM 504 O ALA A 30 -10.521 -15.947 -8.856 1.00 0.00 O ATOM 505 CB ALA A 30 -9.345 -18.524 -9.601 1.00 0.00 C ATOM 0 H ALA A 30 -7.295 -18.593 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.303 -16.738 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.295 -18.265 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.784 -19.186 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.532 -19.029 -8.654 1.00 0.00 H new ATOM 511 N LYS A 31 -8.736 -15.530 -7.559 1.00 0.00 N ATOM 512 CA LYS A 31 -9.274 -14.406 -6.785 1.00 0.00 C ATOM 513 C LYS A 31 -8.272 -13.253 -6.674 1.00 0.00 C ATOM 514 O LYS A 31 -8.653 -12.104 -6.882 1.00 0.00 O ATOM 515 CB LYS A 31 -9.734 -14.928 -5.405 1.00 0.00 C ATOM 516 CG LYS A 31 -10.608 -13.966 -4.579 1.00 0.00 C ATOM 517 CD LYS A 31 -12.115 -14.038 -4.874 1.00 0.00 C ATOM 518 CE LYS A 31 -12.437 -13.655 -6.321 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.893 -13.591 -6.592 1.00 0.00 N ATOM 0 H LYS A 31 -7.797 -15.788 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.135 -13.988 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.289 -15.854 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.849 -15.178 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.450 -14.174 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.267 -12.946 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.475 -15.048 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.649 -13.372 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.989 -12.687 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.979 -14.380 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.050 -13.328 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.321 -14.521 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.331 -12.880 -5.972 1.00 0.00 H new ATOM 533 N ILE A 32 -6.989 -13.559 -6.475 1.00 0.00 N ATOM 534 CA ILE A 32 -5.903 -12.564 -6.453 1.00 0.00 C ATOM 535 C ILE A 32 -5.778 -11.859 -7.805 1.00 0.00 C ATOM 536 O ILE A 32 -5.992 -10.650 -7.888 1.00 0.00 O ATOM 537 CB ILE A 32 -4.555 -13.190 -6.029 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.561 -13.908 -4.662 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.524 -12.060 -5.936 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.481 -15.000 -4.595 1.00 0.00 C ATOM 0 H ILE A 32 -6.666 -14.514 -6.322 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.164 -11.818 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.328 -13.947 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.395 -13.181 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.541 -14.353 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.560 -12.471 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.427 -11.575 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.851 -11.329 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.514 -15.485 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.663 -15.740 -5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.499 -14.550 -4.744 1.00 0.00 H new ATOM 552 N LEU A 33 -5.484 -12.595 -8.881 1.00 0.00 N ATOM 553 CA LEU A 33 -5.352 -11.980 -10.207 1.00 0.00 C ATOM 554 C LEU A 33 -6.718 -11.605 -10.797 1.00 0.00 C ATOM 555 O LEU A 33 -6.784 -10.726 -11.648 1.00 0.00 O ATOM 556 CB LEU A 33 -4.474 -12.850 -11.124 1.00 0.00 C ATOM 557 CG LEU A 33 -5.219 -13.846 -12.031 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.365 -13.327 -13.462 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.509 -15.198 -12.115 1.00 0.00 C ATOM 0 H LEU A 33 -5.334 -13.604 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.826 -11.030 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.879 -12.190 -11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.776 -13.409 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.199 -13.964 -11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.897 -14.064 -14.064 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.925 -12.392 -13.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.377 -13.155 -13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.073 -15.865 -12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.507 -15.058 -12.520 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.440 -15.635 -11.119 1.00 0.00 H new ATOM 571 N GLU A 34 -7.807 -12.217 -10.313 1.00 0.00 N ATOM 572 CA GLU A 34 -9.162 -11.787 -10.665 1.00 0.00 C ATOM 573 C GLU A 34 -9.395 -10.330 -10.236 1.00 0.00 C ATOM 574 O GLU A 34 -9.977 -9.551 -10.989 1.00 0.00 O ATOM 575 CB GLU A 34 -10.212 -12.744 -10.076 1.00 0.00 C ATOM 576 CG GLU A 34 -11.586 -12.661 -10.768 1.00 0.00 C ATOM 577 CD GLU A 34 -12.687 -12.084 -9.859 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.823 -10.840 -9.768 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.440 -12.866 -9.232 1.00 0.00 O ATOM 0 H GLU A 34 -7.773 -13.013 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.271 -11.826 -11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.840 -13.766 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.336 -12.525 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.499 -12.042 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.881 -13.657 -11.098 1.00 0.00 H new ATOM 586 N ASP A 35 -8.845 -9.919 -9.084 1.00 0.00 N ATOM 587 CA ASP A 35 -8.782 -8.513 -8.703 1.00 0.00 C ATOM 588 C ASP A 35 -7.770 -7.689 -9.493 1.00 0.00 C ATOM 589 O ASP A 35 -8.149 -6.639 -10.011 1.00 0.00 O ATOM 590 CB ASP A 35 -8.513 -8.389 -7.211 1.00 0.00 C ATOM 591 CG ASP A 35 -9.632 -8.897 -6.293 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.826 -8.891 -6.698 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.290 -9.250 -5.141 1.00 0.00 O ATOM 0 H ASP A 35 -8.435 -10.553 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.757 -8.094 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.599 -8.936 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.325 -7.341 -6.979 1.00 0.00 H new ATOM 598 N GLU A 36 -6.522 -8.138 -9.661 1.00 0.00 N ATOM 599 CA GLU A 36 -5.553 -7.391 -10.475 1.00 0.00 C ATOM 600 C GLU A 36 -6.011 -7.134 -11.922 1.00 0.00 C ATOM 601 O GLU A 36 -5.588 -6.154 -12.531 1.00 0.00 O ATOM 602 CB GLU A 36 -4.196 -8.099 -10.485 1.00 0.00 C ATOM 603 CG GLU A 36 -3.573 -8.415 -9.118 1.00 0.00 C ATOM 604 CD GLU A 36 -3.230 -7.221 -8.229 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.736 -6.087 -8.394 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.452 -7.361 -7.251 1.00 0.00 O ATOM 0 H GLU A 36 -6.161 -9.000 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.468 -6.415 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.304 -9.034 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.494 -7.481 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.261 -9.060 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.661 -8.989 -9.284 1.00 0.00 H new ATOM 613 N GLU A 37 -6.935 -7.945 -12.445 1.00 0.00 N ATOM 614 CA GLU A 37 -7.502 -7.778 -13.792 1.00 0.00 C ATOM 615 C GLU A 37 -8.405 -6.530 -13.867 1.00 0.00 C ATOM 616 O GLU A 37 -8.452 -5.839 -14.888 1.00 0.00 O ATOM 617 CB GLU A 37 -8.289 -9.051 -14.154 1.00 0.00 C ATOM 618 CG GLU A 37 -8.735 -9.147 -15.617 1.00 0.00 C ATOM 619 CD GLU A 37 -7.565 -9.463 -16.571 1.00 0.00 C ATOM 620 OE1 GLU A 37 -6.886 -8.519 -17.044 1.00 0.00 O ATOM 621 OE2 GLU A 37 -7.335 -10.659 -16.877 1.00 0.00 O ATOM 0 H GLU A 37 -7.317 -8.746 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.695 -7.629 -14.509 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.672 -9.919 -13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.172 -9.107 -13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.496 -9.922 -15.711 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.199 -8.207 -15.915 1.00 0.00 H new ATOM 628 N LYS A 38 -9.084 -6.212 -12.757 1.00 0.00 N ATOM 629 CA LYS A 38 -9.929 -5.021 -12.574 1.00 0.00 C ATOM 630 C LYS A 38 -9.114 -3.813 -12.135 1.00 0.00 C ATOM 631 O LYS A 38 -9.363 -2.725 -12.631 1.00 0.00 O ATOM 632 CB LYS A 38 -11.017 -5.311 -11.521 1.00 0.00 C ATOM 633 CG LYS A 38 -11.924 -6.495 -11.902 1.00 0.00 C ATOM 634 CD LYS A 38 -12.892 -6.950 -10.797 1.00 0.00 C ATOM 635 CE LYS A 38 -12.082 -7.386 -9.572 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.789 -8.315 -8.667 1.00 0.00 N ATOM 0 H LYS A 38 -9.059 -6.802 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.387 -4.790 -13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.541 -5.519 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.630 -4.420 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.504 -6.221 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.295 -7.339 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.568 -6.138 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.509 -7.775 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.161 -7.860 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.794 -6.499 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.159 -8.585 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.636 -7.849 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.071 -9.166 -9.194 1.00 0.00 H new ATOM 650 N HIS A 39 -8.133 -3.992 -11.248 1.00 0.00 N ATOM 651 CA HIS A 39 -7.379 -2.943 -10.568 1.00 0.00 C ATOM 652 C HIS A 39 -6.779 -1.868 -11.480 1.00 0.00 C ATOM 653 O HIS A 39 -6.887 -0.681 -11.173 1.00 0.00 O ATOM 654 CB HIS A 39 -6.267 -3.641 -9.804 1.00 0.00 C ATOM 655 CG HIS A 39 -6.629 -4.171 -8.451 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.682 -4.369 -7.441 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.876 -4.484 -7.990 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.402 -4.788 -6.381 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.712 -4.851 -6.678 1.00 0.00 N ATOM 0 H HIS A 39 -7.828 -4.925 -10.971 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.074 -2.398 -9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.902 -4.470 -10.411 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.439 -2.942 -9.688 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.802 -4.450 -8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.981 -5.040 -5.419 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.457 -5.125 -6.037 1.00 0.00 H new ATOM 667 N ILE A 40 -6.162 -2.274 -12.594 1.00 0.00 N ATOM 668 CA ILE A 40 -5.602 -1.322 -13.570 1.00 0.00 C ATOM 669 C ILE A 40 -6.703 -0.416 -14.128 1.00 0.00 C ATOM 670 O ILE A 40 -6.594 0.806 -14.053 1.00 0.00 O ATOM 671 CB ILE A 40 -4.847 -2.054 -14.703 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.622 -2.790 -14.123 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.393 -1.059 -15.789 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.906 -3.674 -15.144 1.00 0.00 C ATOM 0 H ILE A 40 -6.036 -3.254 -12.846 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.876 -0.695 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.523 -2.777 -15.159 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.918 -2.056 -13.732 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.942 -3.405 -13.282 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.864 -1.596 -16.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.265 -0.560 -16.213 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.729 -0.316 -15.347 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.055 -4.162 -14.669 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.596 -4.431 -15.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.556 -3.061 -15.974 1.00 0.00 H new ATOM 686 N GLU A 41 -7.793 -0.993 -14.639 1.00 0.00 N ATOM 687 CA GLU A 41 -8.930 -0.217 -15.144 1.00 0.00 C ATOM 688 C GLU A 41 -9.642 0.568 -14.034 1.00 0.00 C ATOM 689 O GLU A 41 -10.075 1.695 -14.262 1.00 0.00 O ATOM 690 CB GLU A 41 -9.908 -1.117 -15.917 1.00 0.00 C ATOM 691 CG GLU A 41 -9.271 -1.659 -17.205 1.00 0.00 C ATOM 692 CD GLU A 41 -10.315 -2.363 -18.093 1.00 0.00 C ATOM 693 OE1 GLU A 41 -11.016 -1.673 -18.873 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.440 -3.610 -18.031 1.00 0.00 O ATOM 0 H GLU A 41 -7.913 -2.003 -14.715 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.531 0.523 -15.838 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.217 -1.949 -15.284 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.807 -0.552 -16.163 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.812 -0.840 -17.759 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.474 -2.359 -16.953 1.00 0.00 H new ATOM 701 N TRP A 42 -9.702 0.026 -12.818 1.00 0.00 N ATOM 702 CA TRP A 42 -10.230 0.682 -11.618 1.00 0.00 C ATOM 703 C TRP A 42 -9.531 1.997 -11.227 1.00 0.00 C ATOM 704 O TRP A 42 -10.226 2.924 -10.813 1.00 0.00 O ATOM 705 CB TRP A 42 -10.255 -0.369 -10.490 1.00 0.00 C ATOM 706 CG TRP A 42 -11.469 -1.247 -10.425 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.499 -1.257 -11.304 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.795 -2.256 -9.418 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.451 -2.171 -10.893 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.074 -2.810 -9.730 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.138 -2.763 -8.275 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.677 -3.799 -8.937 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.726 -3.767 -7.482 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.995 -4.279 -7.805 1.00 0.00 C ATOM 0 H TRP A 42 -9.371 -0.921 -12.633 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.241 1.030 -11.829 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.377 -1.007 -10.597 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.157 0.150 -9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.566 -0.644 -12.191 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.324 -2.351 -11.388 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.168 -2.374 -8.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.652 -4.186 -9.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.198 -4.147 -6.619 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.445 -5.040 -7.185 1.00 0.00 H new ATOM 725 N LEU A 43 -8.213 2.148 -11.426 1.00 0.00 N ATOM 726 CA LEU A 43 -7.529 3.449 -11.278 1.00 0.00 C ATOM 727 C LEU A 43 -7.477 4.280 -12.573 1.00 0.00 C ATOM 728 O LEU A 43 -7.569 5.502 -12.494 1.00 0.00 O ATOM 729 CB LEU A 43 -6.174 3.289 -10.569 1.00 0.00 C ATOM 730 CG LEU A 43 -5.060 2.721 -11.454 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.151 3.813 -12.025 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.190 1.762 -10.653 1.00 0.00 C ATOM 0 H LEU A 43 -7.593 1.383 -11.691 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.148 4.059 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.860 4.261 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.304 2.636 -9.706 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.554 2.208 -12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.379 3.357 -12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.743 4.500 -12.630 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.683 4.361 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.402 1.365 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.742 2.292 -9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.802 0.941 -10.279 1.00 0.00 H new ATOM 744 N GLU A 44 -7.419 3.678 -13.766 1.00 0.00 N ATOM 745 CA GLU A 44 -7.474 4.407 -15.036 1.00 0.00 C ATOM 746 C GLU A 44 -8.827 5.107 -15.240 1.00 0.00 C ATOM 747 O GLU A 44 -8.883 6.221 -15.768 1.00 0.00 O ATOM 748 CB GLU A 44 -7.218 3.423 -16.184 1.00 0.00 C ATOM 749 CG GLU A 44 -5.886 3.686 -16.894 1.00 0.00 C ATOM 750 CD GLU A 44 -5.783 2.891 -18.210 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.678 1.640 -18.172 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.812 3.508 -19.301 1.00 0.00 O ATOM 0 H GLU A 44 -7.332 2.668 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.708 5.182 -15.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.224 2.405 -15.794 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.031 3.492 -16.906 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.787 4.751 -17.102 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.061 3.412 -16.236 1.00 0.00 H new ATOM 759 N THR A 45 -9.911 4.488 -14.753 1.00 0.00 N ATOM 760 CA THR A 45 -11.249 5.075 -14.665 1.00 0.00 C ATOM 761 C THR A 45 -11.236 6.449 -13.986 1.00 0.00 C ATOM 762 O THR A 45 -11.932 7.365 -14.430 1.00 0.00 O ATOM 763 CB THR A 45 -12.212 4.110 -13.953 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.441 2.977 -14.762 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.586 4.707 -13.652 1.00 0.00 C ATOM 0 H THR A 45 -9.876 3.532 -14.398 1.00 0.00 H new ATOM 0 HA THR A 45 -11.606 5.234 -15.683 1.00 0.00 H new ATOM 0 HB THR A 45 -11.723 3.868 -13.010 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.668 2.377 -14.711 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.204 3.963 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.471 5.578 -13.007 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.065 5.007 -14.584 1.00 0.00 H new ATOM 773 N ILE A 46 -10.414 6.619 -12.942 1.00 0.00 N ATOM 774 CA ILE A 46 -10.283 7.897 -12.214 1.00 0.00 C ATOM 775 C ILE A 46 -9.581 8.982 -13.040 1.00 0.00 C ATOM 776 O ILE A 46 -10.037 10.124 -13.104 1.00 0.00 O ATOM 777 CB ILE A 46 -9.539 7.706 -10.869 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.121 6.572 -9.999 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.525 9.016 -10.065 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.649 6.641 -9.812 1.00 0.00 C ATOM 0 H ILE A 46 -9.819 5.876 -12.575 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.301 8.234 -12.018 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.521 7.417 -11.131 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.864 5.614 -10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.645 6.600 -9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.998 8.860 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.018 9.791 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.549 9.328 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.977 5.809 -9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.914 7.582 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.138 6.581 -10.784 1.00 0.00 H new ATOM 792 N LEU A 47 -8.450 8.623 -13.646 1.00 0.00 N ATOM 793 CA LEU A 47 -7.471 9.568 -14.195 1.00 0.00 C ATOM 794 C LEU A 47 -7.910 10.287 -15.486 1.00 0.00 C ATOM 795 O LEU A 47 -7.338 11.323 -15.828 1.00 0.00 O ATOM 796 CB LEU A 47 -6.128 8.845 -14.403 1.00 0.00 C ATOM 797 CG LEU A 47 -5.497 8.269 -13.117 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.178 7.578 -13.461 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.238 9.336 -12.053 1.00 0.00 C ATOM 0 H LEU A 47 -8.181 7.647 -13.773 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.373 10.365 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.275 8.032 -15.114 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.423 9.542 -14.856 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.212 7.559 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.733 7.171 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.364 6.769 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.495 8.300 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.794 8.872 -11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.556 10.088 -12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.180 9.811 -11.777 1.00 0.00 H new ATOM 811 N GLY A 48 -8.920 9.770 -16.191 1.00 0.00 N ATOM 812 CA GLY A 48 -9.486 10.404 -17.387 1.00 0.00 C ATOM 813 C GLY A 48 -10.469 9.548 -18.202 1.00 0.00 C ATOM 814 O GLY A 48 -11.053 10.030 -19.172 1.00 0.00 O ATOM 0 H GLY A 48 -9.373 8.890 -15.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.997 11.318 -17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.665 10.700 -18.040 1.00 0.00 H new HETATM 818 N NH2 A 49 -10.685 8.285 -17.847 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.496 -19.219 -5.289 1.00 0.00 C HETATM 823 O ACE B 0 9.819 -18.442 -4.621 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.251 -20.705 -5.209 1.00 0.00 C HETATM 0 H1 ACE B 0 9.982 -21.083 -6.195 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.156 -21.205 -4.863 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.438 -20.903 -4.510 1.00 0.00 H new ATOM 828 N ASP B 1 11.452 -18.821 -6.128 1.00 0.00 N ATOM 829 CA ASP B 1 11.864 -17.420 -6.340 1.00 0.00 C ATOM 830 C ASP B 1 10.709 -16.481 -6.736 1.00 0.00 C ATOM 831 O ASP B 1 10.717 -15.289 -6.421 1.00 0.00 O ATOM 832 CB ASP B 1 12.955 -17.398 -7.419 1.00 0.00 C ATOM 833 CG ASP B 1 13.647 -16.028 -7.530 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.342 -15.623 -6.566 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.532 -15.374 -8.594 1.00 0.00 O ATOM 0 H ASP B 1 11.982 -19.479 -6.700 1.00 0.00 H new ATOM 0 HA ASP B 1 12.235 -17.040 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.700 -18.161 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.515 -17.658 -8.382 1.00 0.00 H new ATOM 840 N TYR B 2 9.681 -17.044 -7.374 1.00 0.00 N ATOM 841 CA TYR B 2 8.433 -16.359 -7.724 1.00 0.00 C ATOM 842 C TYR B 2 7.784 -15.671 -6.523 1.00 0.00 C ATOM 843 O TYR B 2 7.300 -14.553 -6.643 1.00 0.00 O ATOM 844 CB TYR B 2 7.406 -17.347 -8.302 1.00 0.00 C ATOM 845 CG TYR B 2 7.964 -18.478 -9.137 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.679 -18.202 -10.317 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.780 -19.809 -8.716 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.215 -19.260 -11.072 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.308 -20.870 -9.472 1.00 0.00 C ATOM 850 CZ TYR B 2 9.032 -20.599 -10.657 1.00 0.00 C ATOM 851 OH TYR B 2 9.561 -21.614 -11.393 1.00 0.00 O ATOM 0 H TYR B 2 9.694 -18.020 -7.671 1.00 0.00 H new ATOM 0 HA TYR B 2 8.708 -15.607 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.842 -17.778 -7.475 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.698 -16.787 -8.913 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.816 -17.181 -10.642 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.231 -20.015 -7.809 1.00 0.00 H new ATOM 0 HE1 TYR B 2 9.770 -19.049 -11.974 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.161 -21.890 -9.149 1.00 0.00 H new ATOM 0 HH TYR B 2 9.345 -22.471 -10.970 1.00 0.00 H new ATOM 861 N LEU B 3 7.768 -16.330 -5.362 1.00 0.00 N ATOM 862 CA LEU B 3 7.081 -15.852 -4.161 1.00 0.00 C ATOM 863 C LEU B 3 7.749 -14.591 -3.599 1.00 0.00 C ATOM 864 O LEU B 3 7.058 -13.633 -3.256 1.00 0.00 O ATOM 865 CB LEU B 3 7.031 -16.976 -3.113 1.00 0.00 C ATOM 866 CG LEU B 3 6.236 -18.209 -3.587 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.423 -19.349 -2.593 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.736 -17.933 -3.715 1.00 0.00 C ATOM 0 H LEU B 3 8.239 -17.225 -5.228 1.00 0.00 H new ATOM 0 HA LEU B 3 6.061 -15.577 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.048 -17.280 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.582 -16.591 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 3 6.621 -18.470 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.861 -20.220 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.481 -19.603 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.061 -19.040 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.227 -18.836 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.337 -17.632 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.574 -17.134 -4.438 1.00 0.00 H new ATOM 880 N ARG B 4 9.090 -14.548 -3.596 1.00 0.00 N ATOM 881 CA ARG B 4 9.861 -13.319 -3.328 1.00 0.00 C ATOM 882 C ARG B 4 9.498 -12.217 -4.324 1.00 0.00 C ATOM 883 O ARG B 4 9.197 -11.103 -3.905 1.00 0.00 O ATOM 884 CB ARG B 4 11.372 -13.631 -3.330 1.00 0.00 C ATOM 885 CG ARG B 4 12.249 -12.366 -3.276 1.00 0.00 C ATOM 886 CD ARG B 4 13.739 -12.714 -3.171 1.00 0.00 C ATOM 887 NE ARG B 4 14.583 -11.525 -3.407 1.00 0.00 N ATOM 888 CZ ARG B 4 15.873 -11.399 -3.147 1.00 0.00 C ATOM 889 NH1 ARG B 4 16.563 -12.340 -2.568 1.00 0.00 N ATOM 890 NH2 ARG B 4 16.505 -10.307 -3.470 1.00 0.00 N ATOM 0 H ARG B 4 9.673 -15.364 -3.779 1.00 0.00 H new ATOM 0 HA ARG B 4 9.601 -12.946 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.607 -14.266 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.619 -14.199 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.077 -11.766 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.956 -11.756 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.951 -13.123 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.986 -13.489 -3.897 1.00 0.00 H new ATOM 0 HE ARG B 4 14.120 -10.713 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.109 -13.213 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.557 -12.204 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.005 -9.544 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.500 -10.215 -3.267 1.00 0.00 H new ATOM 904 N GLU B 5 9.487 -12.522 -5.621 1.00 0.00 N ATOM 905 CA GLU B 5 9.185 -11.540 -6.675 1.00 0.00 C ATOM 906 C GLU B 5 7.754 -10.971 -6.561 1.00 0.00 C ATOM 907 O GLU B 5 7.534 -9.775 -6.762 1.00 0.00 O ATOM 908 CB GLU B 5 9.447 -12.200 -8.038 1.00 0.00 C ATOM 909 CG GLU B 5 9.250 -11.286 -9.255 1.00 0.00 C ATOM 910 CD GLU B 5 10.166 -10.043 -9.275 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.327 -10.109 -8.807 1.00 0.00 O ATOM 912 OE2 GLU B 5 9.733 -8.987 -9.800 1.00 0.00 O ATOM 0 H GLU B 5 9.687 -13.457 -5.976 1.00 0.00 H new ATOM 0 HA GLU B 5 9.839 -10.676 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.469 -12.579 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.787 -13.061 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.425 -11.866 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.211 -10.957 -9.283 1.00 0.00 H new ATOM 919 N LEU B 6 6.796 -11.818 -6.173 1.00 0.00 N ATOM 920 CA LEU B 6 5.404 -11.495 -5.859 1.00 0.00 C ATOM 921 C LEU B 6 5.277 -10.557 -4.645 1.00 0.00 C ATOM 922 O LEU B 6 4.747 -9.449 -4.764 1.00 0.00 O ATOM 923 CB LEU B 6 4.667 -12.833 -5.618 1.00 0.00 C ATOM 924 CG LEU B 6 3.797 -13.307 -6.789 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.495 -13.368 -8.151 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.252 -14.712 -6.517 1.00 0.00 C ATOM 0 H LEU B 6 6.987 -12.814 -6.063 1.00 0.00 H new ATOM 0 HA LEU B 6 4.957 -10.951 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.405 -13.604 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.038 -12.731 -4.734 1.00 0.00 H new ATOM 0 HG LEU B 6 3.017 -12.548 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.790 -13.715 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.855 -12.375 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.338 -14.057 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.637 -15.033 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.083 -15.406 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.648 -14.699 -5.610 1.00 0.00 H new ATOM 938 N LEU B 7 5.771 -10.989 -3.480 1.00 0.00 N ATOM 939 CA LEU B 7 5.730 -10.210 -2.232 1.00 0.00 C ATOM 940 C LEU B 7 6.442 -8.850 -2.337 1.00 0.00 C ATOM 941 O LEU B 7 5.934 -7.861 -1.803 1.00 0.00 O ATOM 942 CB LEU B 7 6.302 -11.002 -1.034 1.00 0.00 C ATOM 943 CG LEU B 7 5.247 -11.824 -0.270 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.995 -13.184 -0.909 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.683 -12.067 1.174 1.00 0.00 C ATOM 0 H LEU B 7 6.217 -11.900 -3.373 1.00 0.00 H new ATOM 0 HA LEU B 7 4.672 -10.016 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.081 -11.674 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.776 -10.305 -0.343 1.00 0.00 H new ATOM 0 HG LEU B 7 4.331 -11.234 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.244 -13.723 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.639 -13.046 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.922 -13.757 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.921 -12.649 1.691 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.626 -12.614 1.182 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.814 -11.111 1.680 1.00 0.00 H new ATOM 957 N LYS B 8 7.578 -8.775 -3.046 1.00 0.00 N ATOM 958 CA LYS B 8 8.359 -7.546 -3.311 1.00 0.00 C ATOM 959 C LYS B 8 7.671 -6.572 -4.290 1.00 0.00 C ATOM 960 O LYS B 8 8.328 -5.964 -5.140 1.00 0.00 O ATOM 961 CB LYS B 8 9.790 -7.927 -3.760 1.00 0.00 C ATOM 962 CG LYS B 8 10.671 -8.500 -2.635 1.00 0.00 C ATOM 963 CD LYS B 8 11.079 -7.423 -1.616 1.00 0.00 C ATOM 964 CE LYS B 8 12.091 -7.982 -0.611 1.00 0.00 C ATOM 965 NZ LYS B 8 12.517 -6.944 0.364 1.00 0.00 N ATOM 0 H LYS B 8 8.000 -9.601 -3.471 1.00 0.00 H new ATOM 0 HA LYS B 8 8.420 -6.988 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.724 -8.660 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.277 -7.044 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.132 -9.297 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.566 -8.947 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.511 -6.568 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.196 -7.062 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.650 -8.824 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.963 -8.363 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.202 -7.354 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.960 -6.152 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 11.688 -6.599 0.888 1.00 0.00 H new ATOM 979 N GLY B 9 6.353 -6.386 -4.172 1.00 0.00 N ATOM 980 CA GLY B 9 5.660 -5.342 -4.918 1.00 0.00 C ATOM 981 C GLY B 9 4.213 -5.026 -4.589 1.00 0.00 C ATOM 982 O GLY B 9 3.776 -3.896 -4.794 1.00 0.00 O ATOM 0 H GLY B 9 5.750 -6.945 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.231 -4.421 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.704 -5.610 -5.974 1.00 0.00 H new ATOM 986 N GLU B 10 3.479 -5.968 -4.015 1.00 0.00 N ATOM 987 CA GLU B 10 2.118 -5.717 -3.524 1.00 0.00 C ATOM 988 C GLU B 10 2.121 -4.640 -2.420 1.00 0.00 C ATOM 989 O GLU B 10 1.300 -3.724 -2.428 1.00 0.00 O ATOM 990 CB GLU B 10 1.548 -7.048 -3.009 1.00 0.00 C ATOM 991 CG GLU B 10 1.403 -8.164 -4.065 1.00 0.00 C ATOM 992 CD GLU B 10 0.206 -7.937 -4.982 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.003 -6.919 -5.667 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.873 -8.562 -4.953 1.00 0.00 O ATOM 0 H GLU B 10 3.801 -6.925 -3.874 1.00 0.00 H new ATOM 0 HA GLU B 10 1.491 -5.336 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.191 -7.412 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.568 -6.858 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.312 -8.216 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.297 -9.126 -3.563 1.00 0.00 H new ATOM 1001 N LEU B 11 3.126 -4.673 -1.536 1.00 0.00 N ATOM 1002 CA LEU B 11 3.422 -3.674 -0.508 1.00 0.00 C ATOM 1003 C LEU B 11 3.704 -2.283 -1.115 1.00 0.00 C ATOM 1004 O LEU B 11 3.253 -1.262 -0.593 1.00 0.00 O ATOM 1005 CB LEU B 11 4.576 -4.294 0.323 1.00 0.00 C ATOM 1006 CG LEU B 11 5.651 -3.340 0.848 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.148 -2.457 1.990 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.861 -4.126 1.357 1.00 0.00 C ATOM 0 H LEU B 11 3.793 -5.445 -1.521 1.00 0.00 H new ATOM 0 HA LEU B 11 2.576 -3.463 0.146 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.138 -4.811 1.176 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.066 -5.050 -0.291 1.00 0.00 H new ATOM 0 HG LEU B 11 5.926 -2.702 0.008 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.952 -1.800 2.323 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.309 -1.855 1.642 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.825 -3.085 2.820 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.616 -3.432 1.727 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.551 -4.789 2.165 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.279 -4.717 0.543 1.00 0.00 H new ATOM 1020 N GLN B 12 4.372 -2.269 -2.269 1.00 0.00 N ATOM 1021 CA GLN B 12 4.675 -1.095 -3.088 1.00 0.00 C ATOM 1022 C GLN B 12 3.442 -0.551 -3.845 1.00 0.00 C ATOM 1023 O GLN B 12 3.527 0.468 -4.535 1.00 0.00 O ATOM 1024 CB GLN B 12 5.836 -1.425 -4.050 1.00 0.00 C ATOM 1025 CG GLN B 12 6.822 -0.259 -4.239 1.00 0.00 C ATOM 1026 CD GLN B 12 7.828 -0.118 -3.092 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.538 -0.327 -1.919 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.068 0.223 -3.379 1.00 0.00 N ATOM 0 H GLN B 12 4.737 -3.127 -2.681 1.00 0.00 H new ATOM 0 HA GLN B 12 4.981 -0.291 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.378 -2.291 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.426 -1.705 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.365 -0.401 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.260 0.670 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.337 0.403 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.759 0.307 -2.634 1.00 0.00 H new ATOM 1037 N GLY B 13 2.288 -1.219 -3.709 1.00 0.00 N ATOM 1038 CA GLY B 13 0.972 -0.677 -4.034 1.00 0.00 C ATOM 1039 C GLY B 13 0.240 -0.206 -2.775 1.00 0.00 C ATOM 1040 O GLY B 13 -0.244 0.924 -2.756 1.00 0.00 O ATOM 0 H GLY B 13 2.249 -2.177 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.081 0.157 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.378 -1.438 -4.540 1.00 0.00 H new ATOM 1044 N ILE B 14 0.207 -1.016 -1.701 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.592 -0.728 -0.485 1.00 0.00 C ATOM 1046 C ILE B 14 -0.311 0.680 0.067 1.00 0.00 C ATOM 1047 O ILE B 14 -1.235 1.476 0.258 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.345 -1.786 0.624 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.833 -3.188 0.207 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.036 -1.402 1.951 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.299 -4.311 1.107 1.00 0.00 C ATOM 0 H ILE B 14 0.731 -1.889 -1.647 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.639 -0.775 -0.786 1.00 0.00 H new ATOM 0 HB ILE B 14 0.735 -1.810 0.771 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.923 -3.206 0.224 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.527 -3.380 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.838 -2.169 2.700 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.647 -0.445 2.300 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.111 -1.320 1.791 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.681 -5.270 0.757 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.790 -4.319 1.071 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.627 -4.142 2.133 1.00 0.00 H new ATOM 1063 N LYS B 15 0.967 0.994 0.316 1.00 0.00 N ATOM 1064 CA LYS B 15 1.384 2.242 0.971 1.00 0.00 C ATOM 1065 C LYS B 15 1.192 3.474 0.081 1.00 0.00 C ATOM 1066 O LYS B 15 0.873 4.557 0.571 1.00 0.00 O ATOM 1067 CB LYS B 15 2.841 2.125 1.451 1.00 0.00 C ATOM 1068 CG LYS B 15 3.004 1.060 2.552 1.00 0.00 C ATOM 1069 CD LYS B 15 4.455 0.918 3.043 1.00 0.00 C ATOM 1070 CE LYS B 15 5.042 2.170 3.718 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.365 2.494 5.003 1.00 0.00 N ATOM 0 H LYS B 15 1.747 0.385 0.067 1.00 0.00 H new ATOM 0 HA LYS B 15 0.734 2.388 1.834 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.482 1.873 0.606 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.177 3.091 1.829 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.364 1.318 3.396 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.659 0.098 2.173 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.504 0.088 3.748 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.085 0.653 2.194 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.106 2.016 3.900 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.954 3.019 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.796 3.345 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 3.355 2.668 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 4.470 1.696 5.662 1.00 0.00 H new ATOM 1085 N GLN B 16 1.337 3.300 -1.230 1.00 0.00 N ATOM 1086 CA GLN B 16 1.228 4.336 -2.251 1.00 0.00 C ATOM 1087 C GLN B 16 -0.231 4.684 -2.552 1.00 0.00 C ATOM 1088 O GLN B 16 -0.567 5.855 -2.739 1.00 0.00 O ATOM 1089 CB GLN B 16 1.942 3.839 -3.520 1.00 0.00 C ATOM 1090 CG GLN B 16 3.469 4.042 -3.502 1.00 0.00 C ATOM 1091 CD GLN B 16 4.224 3.258 -2.421 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.885 2.145 -2.041 1.00 0.00 O ATOM 1093 NE2 GLN B 16 5.273 3.820 -1.857 1.00 0.00 N ATOM 0 H GLN B 16 1.545 2.384 -1.629 1.00 0.00 H new ATOM 0 HA GLN B 16 1.698 5.249 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.729 2.778 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.527 4.358 -4.384 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.868 3.760 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.676 5.104 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.577 4.747 -2.155 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.782 3.328 -1.122 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.118 3.689 -2.518 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.552 3.899 -2.671 1.00 0.00 C ATOM 1104 C TYR B 17 -3.142 4.774 -1.560 1.00 0.00 C ATOM 1105 O TYR B 17 -4.053 5.561 -1.827 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.274 2.546 -2.707 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.343 1.865 -4.066 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.822 2.566 -5.193 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.970 0.510 -4.199 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.884 1.933 -6.448 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -3.023 -0.124 -5.457 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.471 0.592 -6.587 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.546 -0.011 -7.804 1.00 0.00 O ATOM 0 H TYR B 17 -0.858 2.712 -2.383 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.702 4.430 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.777 1.872 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.291 2.689 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.142 3.592 -5.092 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.642 -0.044 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.249 2.476 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.721 -1.156 -5.556 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.456 -0.981 -7.695 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.621 4.695 -0.327 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.131 5.519 0.775 1.00 0.00 C ATOM 1125 C ARG B 18 -2.872 7.022 0.589 1.00 0.00 C ATOM 1126 O ARG B 18 -3.691 7.832 1.020 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.598 5.009 2.112 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.410 3.820 2.663 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.332 3.720 4.193 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.043 4.845 4.843 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.189 5.061 6.139 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.712 4.249 7.039 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.830 6.115 6.558 1.00 0.00 N ATOM 0 H ARG B 18 -1.853 4.074 -0.070 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.216 5.415 0.771 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.557 4.708 1.992 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.614 5.822 2.838 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.452 3.923 2.361 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.040 2.895 2.221 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.766 2.775 4.520 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.288 3.717 4.507 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.468 5.531 4.220 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.205 3.412 6.753 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.846 4.451 8.030 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.220 6.775 5.886 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.942 6.280 7.558 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.789 7.399 -0.092 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.484 8.799 -0.443 1.00 0.00 C ATOM 1149 C GLU B 19 -2.313 9.321 -1.636 1.00 0.00 C ATOM 1150 O GLU B 19 -2.630 10.505 -1.719 1.00 0.00 O ATOM 1151 CB GLU B 19 0.011 8.909 -0.790 1.00 0.00 C ATOM 1152 CG GLU B 19 0.816 9.731 0.224 1.00 0.00 C ATOM 1153 CD GLU B 19 0.949 9.023 1.589 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.081 9.226 2.471 1.00 0.00 O ATOM 1155 OE2 GLU B 19 1.945 8.288 1.801 1.00 0.00 O ATOM 0 H GLU B 19 -1.086 6.737 -0.422 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.743 9.412 0.421 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.436 7.907 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.115 9.361 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.810 9.926 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.335 10.699 0.366 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.670 8.440 -2.568 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.354 8.759 -3.820 1.00 0.00 C ATOM 1164 C ALA B 20 -4.793 9.272 -3.616 1.00 0.00 C ATOM 1165 O ALA B 20 -5.295 10.037 -4.443 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.304 7.526 -4.729 1.00 0.00 C ATOM 0 H ALA B 20 -2.483 7.442 -2.468 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.833 9.589 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.810 7.746 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.265 7.263 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.801 6.690 -4.236 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.440 8.928 -2.495 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.734 9.501 -2.110 1.00 0.00 C ATOM 1174 C LEU B 21 -6.651 11.013 -1.886 1.00 0.00 C ATOM 1175 O LEU B 21 -7.620 11.712 -2.167 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.284 8.785 -0.867 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.723 9.169 -0.470 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.738 8.635 -1.476 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.082 8.580 0.892 1.00 0.00 C ATOM 0 H LEU B 21 -5.080 8.244 -1.830 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.425 9.344 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.247 7.710 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.624 8.994 -0.025 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.760 10.258 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.743 8.923 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.528 9.052 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.670 7.548 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.102 8.863 1.153 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -9.006 7.493 0.850 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.395 8.963 1.646 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.509 11.553 -1.452 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.404 13.008 -1.224 1.00 0.00 C ATOM 1193 C GLU B 22 -5.537 13.834 -2.519 1.00 0.00 C ATOM 1194 O GLU B 22 -6.028 14.965 -2.486 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.113 13.361 -0.472 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.364 13.732 0.997 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.995 12.583 1.810 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -4.250 11.711 2.320 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -6.240 12.570 1.977 1.00 0.00 O ATOM 0 H GLU B 22 -4.659 11.025 -1.254 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.253 13.281 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.429 12.514 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.622 14.194 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -3.420 14.021 1.459 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.019 14.602 1.039 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.167 13.243 -3.659 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.242 13.822 -5.004 1.00 0.00 C ATOM 1208 C TYR B 23 -6.423 13.306 -5.860 1.00 0.00 C ATOM 1209 O TYR B 23 -6.529 13.672 -7.034 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.885 13.595 -5.690 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.776 14.461 -5.120 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.614 15.776 -5.601 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.930 13.974 -4.101 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.609 16.606 -5.067 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.924 14.804 -3.564 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.762 16.123 -4.047 1.00 0.00 C ATOM 1217 OH TYR B 23 0.202 16.936 -3.533 1.00 0.00 O ATOM 0 H TYR B 23 -4.787 12.297 -3.669 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.449 14.887 -4.904 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.606 12.546 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.985 13.799 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.262 16.148 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.053 12.966 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.487 17.613 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.277 14.432 -2.783 1.00 0.00 H new ATOM 0 HH TYR B 23 0.699 16.455 -2.839 1.00 0.00 H new ATOM 1227 N THR B 24 -7.332 12.491 -5.301 1.00 0.00 N ATOM 1228 CA THR B 24 -8.495 11.919 -6.028 1.00 0.00 C ATOM 1229 C THR B 24 -9.818 11.975 -5.254 1.00 0.00 C ATOM 1230 O THR B 24 -10.870 12.228 -5.840 1.00 0.00 O ATOM 1231 CB THR B 24 -8.243 10.457 -6.439 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.008 9.665 -5.300 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.055 10.267 -7.383 1.00 0.00 C ATOM 0 H THR B 24 -7.287 12.203 -4.323 1.00 0.00 H new ATOM 0 HA THR B 24 -8.596 12.557 -6.906 1.00 0.00 H new ATOM 0 HB THR B 24 -9.145 10.153 -6.970 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.073 9.762 -5.022 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.947 9.209 -7.623 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.225 10.832 -8.300 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.146 10.624 -6.900 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.777 11.794 -3.932 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.920 11.672 -3.009 1.00 0.00 C ATOM 1243 C HIS B 25 -11.995 10.623 -3.424 1.00 0.00 C ATOM 1244 O HIS B 25 -13.163 10.749 -3.057 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.458 13.076 -2.662 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.565 13.783 -1.668 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.696 13.738 -0.289 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.430 14.494 -1.956 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.657 14.409 0.254 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.879 14.882 -0.745 1.00 0.00 N ATOM 0 H HIS B 25 -8.887 11.723 -3.440 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.555 11.229 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.535 13.672 -3.571 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.464 12.990 -2.251 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.039 14.711 -2.939 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.478 14.545 1.310 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.028 15.433 -0.627 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.622 9.585 -4.190 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.525 8.545 -4.716 1.00 0.00 C ATOM 1261 C ASN B 26 -12.657 7.298 -3.809 1.00 0.00 C ATOM 1262 O ASN B 26 -11.671 6.870 -3.206 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.032 8.138 -6.117 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.385 9.175 -7.168 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -11.555 9.933 -7.635 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.630 9.239 -7.584 1.00 0.00 N ATOM 0 H ASN B 26 -10.652 9.441 -4.470 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.526 8.976 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.951 7.998 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.472 7.179 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.896 9.921 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -14.330 8.607 -7.197 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.835 6.636 -3.767 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.050 5.432 -2.955 1.00 0.00 C ATOM 1275 C PRO B 27 -13.415 4.162 -3.549 1.00 0.00 C ATOM 1276 O PRO B 27 -13.315 3.145 -2.867 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.574 5.286 -2.864 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.055 5.861 -4.195 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.076 7.009 -4.439 1.00 0.00 C ATOM 0 HA PRO B 27 -13.570 5.543 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.873 4.245 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.982 5.836 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.017 5.120 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.085 6.213 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.911 7.160 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.467 7.945 -4.042 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.973 4.184 -4.808 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.371 3.024 -5.503 1.00 0.00 C ATOM 1289 C VAL B 28 -11.104 2.515 -4.837 1.00 0.00 C ATOM 1290 O VAL B 28 -10.864 1.312 -4.794 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.140 3.355 -6.988 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.830 4.092 -7.301 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -12.230 2.087 -7.832 1.00 0.00 C ATOM 0 H VAL B 28 -13.020 5.019 -5.391 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.085 2.203 -5.432 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.936 4.054 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.764 4.278 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.810 5.042 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.984 3.481 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.065 2.335 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.471 1.377 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.218 1.642 -7.716 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.319 3.406 -4.237 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.136 3.036 -3.471 1.00 0.00 C ATOM 1305 C LEU B 29 -9.498 2.161 -2.255 1.00 0.00 C ATOM 1306 O LEU B 29 -8.732 1.263 -1.903 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.367 4.308 -3.086 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.849 5.123 -4.290 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.782 6.270 -4.688 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.496 5.749 -3.973 1.00 0.00 C ATOM 0 H LEU B 29 -10.488 4.411 -4.270 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.482 2.419 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.016 4.943 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.520 4.031 -2.458 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.784 4.410 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.360 6.803 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.758 5.868 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.893 6.957 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.148 6.319 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.595 6.413 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.776 4.963 -3.743 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.708 2.327 -1.700 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.288 1.463 -0.664 1.00 0.00 C ATOM 1324 C ALA B 30 -11.760 0.078 -1.185 1.00 0.00 C ATOM 1325 O ALA B 30 -12.276 -0.727 -0.409 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.410 2.237 0.049 1.00 0.00 C ATOM 0 H ALA B 30 -11.328 3.091 -1.969 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.501 1.216 0.048 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.851 1.608 0.822 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.998 3.137 0.505 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.177 2.515 -0.674 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.541 -0.228 -2.475 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.534 -1.569 -3.066 1.00 0.00 C ATOM 1334 C LYS B 31 -10.124 -1.977 -3.486 1.00 0.00 C ATOM 1335 O LYS B 31 -9.656 -3.036 -3.088 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.466 -1.662 -4.291 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.929 -1.284 -4.021 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.758 -1.469 -5.301 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.215 -1.056 -5.067 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.038 -1.245 -6.290 1.00 0.00 N ATOM 0 H LYS B 31 -11.354 0.497 -3.168 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.898 -2.249 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.077 -1.012 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.435 -2.681 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.333 -1.905 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.991 -0.250 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.330 -0.872 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.717 -2.511 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.634 -1.644 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.253 -0.011 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.018 -0.956 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.652 -0.665 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.021 -2.247 -6.569 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.420 -1.120 -4.230 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.120 -1.461 -4.840 1.00 0.00 C ATOM 1356 C ILE B 32 -7.079 -1.771 -3.760 1.00 0.00 C ATOM 1357 O ILE B 32 -6.561 -2.887 -3.709 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.621 -0.366 -5.806 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.621 0.008 -6.923 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.351 -0.884 -6.492 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.275 1.356 -7.572 1.00 0.00 C ATOM 0 H ILE B 32 -9.730 -0.169 -4.430 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.269 -2.359 -5.439 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.463 0.528 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.623 -0.772 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.628 0.052 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.976 -0.128 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.592 -1.097 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.581 -1.796 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.002 1.582 -8.352 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.299 2.141 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.278 1.304 -8.010 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.809 -0.821 -2.858 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.857 -1.027 -1.761 1.00 0.00 C ATOM 1375 C LEU B 33 -6.414 -1.970 -0.696 1.00 0.00 C ATOM 1376 O LEU B 33 -5.651 -2.706 -0.073 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.340 0.321 -1.229 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.002 0.933 0.021 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.419 0.407 1.337 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.797 2.449 0.041 1.00 0.00 C ATOM 0 H LEU B 33 -7.239 0.104 -2.867 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.978 -1.545 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.277 0.205 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.425 1.048 -2.036 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.053 0.654 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.930 0.879 2.176 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.556 -0.673 1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.355 0.640 1.383 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.270 2.868 0.929 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.730 2.672 0.058 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.245 2.889 -0.850 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.743 -2.008 -0.541 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.385 -2.994 0.328 1.00 0.00 C ATOM 1394 C GLU B 34 -8.096 -4.431 -0.140 1.00 0.00 C ATOM 1395 O GLU B 34 -7.914 -5.327 0.687 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.890 -2.718 0.470 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.527 -3.600 1.555 1.00 0.00 C ATOM 1398 CD GLU B 34 -11.998 -3.227 1.828 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.256 -2.351 2.692 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.906 -3.858 1.233 1.00 0.00 O ATOM 0 H GLU B 34 -8.389 -1.370 -1.005 1.00 0.00 H new ATOM 0 HA GLU B 34 -7.950 -2.895 1.322 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.046 -1.668 0.716 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.385 -2.899 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.471 -4.645 1.249 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -9.954 -3.507 2.478 1.00 0.00 H new ATOM 1407 N ASP B 35 -7.976 -4.660 -1.453 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.564 -5.946 -1.984 1.00 0.00 C ATOM 1409 C ASP B 35 -6.058 -6.210 -1.916 1.00 0.00 C ATOM 1410 O ASP B 35 -5.668 -7.302 -1.516 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.041 -6.143 -3.420 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.534 -5.965 -3.720 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.391 -6.282 -2.856 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.831 -5.579 -4.876 1.00 0.00 O ATOM 0 H ASP B 35 -8.163 -3.956 -2.167 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.044 -6.671 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.489 -5.447 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.757 -7.149 -3.730 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.177 -5.251 -2.220 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.737 -5.474 -2.027 1.00 0.00 C ATOM 1421 C GLU B 36 -3.368 -5.840 -0.578 1.00 0.00 C ATOM 1422 O GLU B 36 -2.406 -6.576 -0.356 1.00 0.00 O ATOM 1423 CB GLU B 36 -2.937 -4.239 -2.449 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.175 -3.752 -3.878 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.871 -4.767 -4.978 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.323 -5.883 -4.767 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.186 -4.498 -6.158 1.00 0.00 O ATOM 0 H GLU B 36 -5.425 -4.334 -2.592 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.480 -6.325 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.172 -3.425 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.876 -4.459 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.217 -3.444 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.564 -2.865 -4.047 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.167 -5.394 0.399 1.00 0.00 N ATOM 1435 CA GLU B 37 -3.954 -5.681 1.825 1.00 0.00 C ATOM 1436 C GLU B 37 -4.116 -7.176 2.144 1.00 0.00 C ATOM 1437 O GLU B 37 -3.403 -7.717 2.994 1.00 0.00 O ATOM 1438 CB GLU B 37 -4.928 -4.822 2.648 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.631 -4.787 4.157 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.674 -5.567 4.984 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.806 -5.060 5.172 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.366 -6.675 5.486 1.00 0.00 O ATOM 0 H GLU B 37 -4.989 -4.817 0.221 1.00 0.00 H new ATOM 0 HA GLU B 37 -2.927 -5.427 2.089 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.907 -3.802 2.263 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -5.940 -5.199 2.499 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.641 -5.206 4.339 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.606 -3.751 4.495 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.006 -7.856 1.409 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.295 -9.292 1.538 1.00 0.00 C ATOM 1451 C LYS B 38 -4.574 -10.151 0.496 1.00 0.00 C ATOM 1452 O LYS B 38 -4.237 -11.285 0.814 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.820 -9.509 1.600 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.589 -9.188 0.319 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.101 -9.134 0.569 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.803 -8.746 -0.736 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.814 -7.679 -0.537 1.00 0.00 N ATOM 0 H LYS B 38 -5.564 -7.407 0.683 1.00 0.00 H new ATOM 0 HA LYS B 38 -4.879 -9.648 2.481 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.010 -10.549 1.864 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.223 -8.896 2.407 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.251 -8.231 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.371 -9.943 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.461 -10.102 0.918 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.329 -8.409 1.350 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.060 -8.409 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -10.286 -9.626 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -10.878 -7.097 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.740 -8.110 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -10.534 -7.080 0.266 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.225 -9.615 -0.678 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.460 -10.279 -1.734 1.00 0.00 C ATOM 1473 C HIS B 39 -2.119 -10.864 -1.271 1.00 0.00 C ATOM 1474 O HIS B 39 -1.780 -11.979 -1.667 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.202 -9.242 -2.826 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.320 -8.951 -3.785 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.181 -8.151 -4.923 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.603 -9.400 -3.696 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.403 -8.125 -5.484 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.266 -8.884 -4.781 1.00 0.00 N ATOM 0 H HIS B 39 -4.482 -8.660 -0.928 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.048 -11.128 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.922 -8.306 -2.342 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.339 -9.571 -3.405 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.336 -7.687 -5.256 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.016 -10.035 -2.926 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.658 -7.572 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.245 -9.047 -5.015 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.367 -10.143 -0.431 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.093 -10.642 0.126 1.00 0.00 C ATOM 1490 C ILE B 40 -0.319 -11.928 0.923 1.00 0.00 C ATOM 1491 O ILE B 40 0.302 -12.951 0.644 1.00 0.00 O ATOM 1492 CB ILE B 40 0.609 -9.566 0.993 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.019 -8.386 0.092 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.849 -10.141 1.712 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.747 -7.239 0.804 1.00 0.00 C ATOM 0 H ILE B 40 -1.617 -9.205 -0.117 1.00 0.00 H new ATOM 0 HA ILE B 40 0.569 -10.869 -0.710 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.087 -9.227 1.760 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.662 -8.764 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.124 -7.986 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.317 -9.360 2.311 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.545 -10.963 2.361 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.561 -10.507 0.972 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.992 -6.460 0.082 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.103 -6.826 1.580 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.665 -7.616 1.256 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.222 -11.898 1.906 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.478 -13.070 2.743 1.00 0.00 C ATOM 1509 C GLU B 41 -2.187 -14.186 1.963 1.00 0.00 C ATOM 1510 O GLU B 41 -1.899 -15.361 2.179 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.228 -12.662 4.020 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.775 -13.518 5.210 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.414 -13.035 6.523 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.865 -12.108 7.168 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -3.473 -13.575 6.930 1.00 0.00 O ATOM 0 H GLU B 41 -1.784 -11.080 2.140 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.520 -13.490 3.051 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.047 -11.608 4.233 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.301 -12.777 3.870 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -2.044 -14.560 5.034 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.689 -13.479 5.296 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.031 -13.835 0.989 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.631 -14.766 0.029 1.00 0.00 C ATOM 1524 C TRP B 42 -2.600 -15.556 -0.775 1.00 0.00 C ATOM 1525 O TRP B 42 -2.710 -16.783 -0.843 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.568 -13.979 -0.899 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.933 -13.698 -0.365 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.406 -14.060 0.849 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.029 -13.023 -1.049 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.725 -13.662 0.958 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.171 -13.044 -0.195 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.172 -12.410 -2.312 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.408 -12.516 -0.597 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.397 -11.848 -2.714 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.519 -11.922 -1.868 1.00 0.00 C ATOM 0 H TRP B 42 -3.324 -12.869 0.842 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.192 -15.512 0.592 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.092 -13.029 -1.143 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.671 -14.532 -1.832 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.843 -14.577 1.612 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.299 -13.807 1.788 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.326 -12.372 -2.982 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.263 -12.565 0.061 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.477 -11.359 -3.674 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.467 -11.522 -2.195 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.586 -14.901 -1.354 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.573 -15.617 -2.131 1.00 0.00 C ATOM 1548 C LEU B 43 0.375 -16.439 -1.232 1.00 0.00 C ATOM 1549 O LEU B 43 0.764 -17.551 -1.589 1.00 0.00 O ATOM 1550 CB LEU B 43 0.094 -14.672 -3.139 1.00 0.00 C ATOM 1551 CG LEU B 43 1.360 -13.996 -2.615 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.593 -14.901 -2.747 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.567 -12.686 -3.358 1.00 0.00 C ATOM 0 H LEU B 43 -1.448 -13.892 -1.300 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.051 -16.383 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.341 -15.234 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.622 -13.903 -3.429 1.00 0.00 H new ATOM 0 HG LEU B 43 1.232 -13.799 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.470 -14.380 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.435 -15.816 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.751 -15.150 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.469 -12.197 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.672 -12.885 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.709 -12.035 -3.193 1.00 0.00 H new ATOM 1565 N GLU B 44 0.715 -15.919 -0.047 1.00 0.00 N ATOM 1566 CA GLU B 44 1.648 -16.560 0.889 1.00 0.00 C ATOM 1567 C GLU B 44 1.016 -17.759 1.623 1.00 0.00 C ATOM 1568 O GLU B 44 1.709 -18.744 1.884 1.00 0.00 O ATOM 1569 CB GLU B 44 2.186 -15.499 1.869 1.00 0.00 C ATOM 1570 CG GLU B 44 3.624 -15.739 2.354 1.00 0.00 C ATOM 1571 CD GLU B 44 3.779 -16.891 3.367 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.072 -16.900 4.403 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.665 -17.759 3.169 1.00 0.00 O ATOM 0 H GLU B 44 0.346 -15.031 0.294 1.00 0.00 H new ATOM 0 HA GLU B 44 2.481 -16.975 0.321 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.138 -14.523 1.387 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.527 -15.459 2.736 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.255 -15.946 1.489 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.998 -14.821 2.808 1.00 0.00 H new ATOM 1580 N THR B 45 -0.303 -17.740 1.883 1.00 0.00 N ATOM 1581 CA THR B 45 -1.030 -18.848 2.540 1.00 0.00 C ATOM 1582 C THR B 45 -0.868 -20.192 1.818 1.00 0.00 C ATOM 1583 O THR B 45 -0.892 -21.244 2.462 1.00 0.00 O ATOM 1584 CB THR B 45 -2.526 -18.490 2.705 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.655 -17.467 3.668 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.417 -19.631 3.204 1.00 0.00 C ATOM 0 H THR B 45 -0.902 -16.950 1.642 1.00 0.00 H new ATOM 0 HA THR B 45 -0.579 -18.975 3.524 1.00 0.00 H new ATOM 0 HB THR B 45 -2.852 -18.211 1.703 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.642 -16.594 3.222 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.446 -19.280 3.286 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.372 -20.462 2.500 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.068 -19.964 4.181 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.664 -20.192 0.495 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.647 -21.415 -0.322 1.00 0.00 C ATOM 1596 C ILE B 46 0.534 -22.355 0.014 1.00 0.00 C ATOM 1597 O ILE B 46 0.383 -23.576 -0.079 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.722 -21.089 -1.837 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.827 -20.052 -2.173 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.976 -22.409 -2.590 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.810 -19.541 -3.622 1.00 0.00 C ATOM 0 H ILE B 46 -0.505 -19.340 -0.043 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.548 -21.970 -0.061 1.00 0.00 H new ATOM 0 HB ILE B 46 0.220 -20.636 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.800 -20.500 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.723 -19.200 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.034 -22.212 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.159 -23.103 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.915 -22.847 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.617 -18.822 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.854 -19.059 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.947 -20.379 -4.305 1.00 0.00 H new ATOM 1613 N LEU B 47 1.674 -21.836 0.498 1.00 0.00 N ATOM 1614 CA LEU B 47 2.777 -22.669 1.023 1.00 0.00 C ATOM 1615 C LEU B 47 2.392 -23.499 2.268 1.00 0.00 C ATOM 1616 O LEU B 47 3.055 -24.496 2.567 1.00 0.00 O ATOM 1617 CB LEU B 47 4.020 -21.805 1.335 1.00 0.00 C ATOM 1618 CG LEU B 47 4.995 -21.558 0.166 1.00 0.00 C ATOM 1619 CD1 LEU B 47 6.184 -20.752 0.692 1.00 0.00 C ATOM 1620 CD2 LEU B 47 5.560 -22.850 -0.437 1.00 0.00 C ATOM 0 H LEU B 47 1.860 -20.834 0.538 1.00 0.00 H new ATOM 0 HA LEU B 47 3.009 -23.380 0.230 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.680 -20.838 1.706 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.572 -22.281 2.145 1.00 0.00 H new ATOM 0 HG LEU B 47 4.433 -21.037 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU B 47 6.886 -20.567 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU B 47 5.831 -19.801 1.091 1.00 0.00 H new ATOM 0 HD13 LEU B 47 6.683 -21.313 1.482 1.00 0.00 H new ATOM 0 HD21 LEU B 47 6.238 -22.604 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU B 47 6.102 -23.403 0.330 1.00 0.00 H new ATOM 0 HD23 LEU B 47 4.742 -23.463 -0.816 1.00 0.00 H new ATOM 1632 N GLY B 48 1.321 -23.127 2.977 1.00 0.00 N ATOM 1633 CA GLY B 48 0.776 -23.863 4.124 1.00 0.00 C ATOM 1634 C GLY B 48 -0.229 -24.965 3.752 1.00 0.00 C ATOM 1635 O GLY B 48 -0.715 -25.683 4.626 1.00 0.00 O ATOM 0 H GLY B 48 0.794 -22.281 2.763 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.601 -24.312 4.677 1.00 0.00 H new ATOM 0 HA3 GLY B 48 0.289 -23.156 4.796 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.564 -25.138 2.477 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.593 -4.439 -7.838 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.764 -7.236 -5.684 1.00 0.00 ZN