USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 MET CE :methyl -162:sc= 0 (180deg=-0.0303) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0651 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 18 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.487 (180deg=0.482) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.123 K(o=0.12,f=-0.57) USER MOD Single : A 31 ASN : amide:sc= 0.0543 K(o=0.054,f=-0.91) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= -0.0383 USER MOD Single : A 47 SER OG : rot -141:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= 0.393 (180deg=0.207) USER MOD Single : A 53 HIS : no HD1:sc= -0.0173 K(o=-0.017,f=-0.98) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00119 USER MOD Single : A 63 GLN : amide:sc= 0.823 K(o=0.82,f=-7.6!) USER MOD Single : A 67 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= 0.344 K(o=0.34,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= 0.884 (180deg=0.0398) USER MOD Single : A 78 MET CE :methyl -169:sc= -0.0592 (180deg=-0.0968) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.77) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 100 GLN : amide:sc= 0.242 K(o=0.24,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.388 -0.134 -3.546 1.00 0.00 N ATOM 30 CA ASP A 3 4.321 -0.528 -4.976 1.00 0.00 C ATOM 31 C ASP A 3 5.521 0.067 -5.810 1.00 0.00 C ATOM 32 O ASP A 3 5.578 1.294 -5.956 1.00 0.00 O ATOM 33 CB ASP A 3 2.930 -0.062 -5.487 1.00 0.00 C ATOM 34 CG ASP A 3 2.602 -0.504 -6.914 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.985 0.105 -7.910 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.867 -1.654 -6.947 1.00 0.00 O ATOM 0 HA ASP A 3 4.424 -1.606 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.162 -0.445 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.883 1.026 -5.437 1.00 0.00 H new ATOM 41 N PRO A 4 6.446 -0.727 -6.429 1.00 0.00 N ATOM 42 CA PRO A 4 7.555 -0.170 -7.258 1.00 0.00 C ATOM 43 C PRO A 4 7.198 0.496 -8.632 1.00 0.00 C ATOM 44 O PRO A 4 7.907 1.415 -9.047 1.00 0.00 O ATOM 45 CB PRO A 4 8.519 -1.368 -7.365 1.00 0.00 C ATOM 46 CG PRO A 4 7.672 -2.623 -7.159 1.00 0.00 C ATOM 47 CD PRO A 4 6.518 -2.192 -6.256 1.00 0.00 C ATOM 0 HA PRO A 4 7.976 0.715 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.010 -1.386 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.305 -1.302 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.304 -3.008 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.256 -3.419 -6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.584 -2.673 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.705 -2.461 -5.216 1.00 0.00 H new ATOM 55 N ALA A 5 6.109 0.094 -9.318 1.00 0.00 N ATOM 56 CA ALA A 5 5.578 0.825 -10.506 1.00 0.00 C ATOM 57 C ALA A 5 5.044 2.274 -10.229 1.00 0.00 C ATOM 58 O ALA A 5 5.441 3.214 -10.924 1.00 0.00 O ATOM 59 CB ALA A 5 4.524 -0.085 -11.165 1.00 0.00 C ATOM 0 H ALA A 5 5.571 -0.738 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 5 6.409 1.020 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.109 0.414 -12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.991 -1.022 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.725 -0.291 -10.453 1.00 0.00 H new ATOM 65 N ALA A 6 4.220 2.480 -9.182 1.00 0.00 N ATOM 66 CA ALA A 6 3.980 3.831 -8.600 1.00 0.00 C ATOM 67 C ALA A 6 5.244 4.588 -8.059 1.00 0.00 C ATOM 68 O ALA A 6 5.366 5.793 -8.287 1.00 0.00 O ATOM 69 CB ALA A 6 2.897 3.661 -7.521 1.00 0.00 C ATOM 0 H ALA A 6 3.706 1.732 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 6 3.657 4.489 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.685 4.627 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.988 3.268 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.250 2.967 -6.758 1.00 0.00 H new ATOM 75 N GLY A 7 6.205 3.898 -7.411 1.00 0.00 N ATOM 76 CA GLY A 7 7.556 4.458 -7.125 1.00 0.00 C ATOM 77 C GLY A 7 8.419 4.978 -8.303 1.00 0.00 C ATOM 78 O GLY A 7 9.063 6.016 -8.159 1.00 0.00 O ATOM 0 H GLY A 7 6.076 2.945 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.429 5.281 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.130 3.686 -6.612 1.00 0.00 H new ATOM 82 N GLU A 8 8.400 4.302 -9.466 1.00 0.00 N ATOM 83 CA GLU A 8 8.891 4.869 -10.760 1.00 0.00 C ATOM 84 C GLU A 8 8.225 6.225 -11.191 1.00 0.00 C ATOM 85 O GLU A 8 8.938 7.164 -11.556 1.00 0.00 O ATOM 86 CB GLU A 8 8.760 3.743 -11.829 1.00 0.00 C ATOM 87 CG GLU A 8 9.500 3.963 -13.175 1.00 0.00 C ATOM 88 CD GLU A 8 8.785 4.871 -14.178 1.00 0.00 C ATOM 89 OE1 GLU A 8 7.690 4.617 -14.671 1.00 0.00 O ATOM 90 OE2 GLU A 8 9.495 5.996 -14.463 1.00 0.00 O ATOM 0 H GLU A 8 8.047 3.349 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 8 9.933 5.166 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.124 2.814 -11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.701 3.601 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.483 4.386 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.664 2.992 -13.643 1.00 0.00 H new ATOM 97 N LYS A 9 6.885 6.345 -11.105 1.00 0.00 N ATOM 98 CA LYS A 9 6.164 7.647 -11.252 1.00 0.00 C ATOM 99 C LYS A 9 6.572 8.749 -10.209 1.00 0.00 C ATOM 100 O LYS A 9 6.884 9.872 -10.613 1.00 0.00 O ATOM 101 CB LYS A 9 4.628 7.401 -11.250 1.00 0.00 C ATOM 102 CG LYS A 9 4.075 6.522 -12.397 1.00 0.00 C ATOM 103 CD LYS A 9 2.552 6.316 -12.290 1.00 0.00 C ATOM 104 CE LYS A 9 2.007 5.434 -13.422 1.00 0.00 C ATOM 105 NZ LYS A 9 0.549 5.267 -13.269 1.00 0.00 N ATOM 0 H LYS A 9 6.266 5.553 -10.933 1.00 0.00 H new ATOM 0 HA LYS A 9 6.473 8.059 -12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.357 6.937 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.126 8.368 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.311 6.987 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.573 5.553 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.315 5.859 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.053 7.285 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.231 5.887 -14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.497 4.461 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.185 4.669 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.345 4.816 -12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.087 6.198 -13.307 1.00 0.00 H new ATOM 118 N VAL A 10 6.639 8.429 -8.896 1.00 0.00 N ATOM 119 CA VAL A 10 7.248 9.329 -7.856 1.00 0.00 C ATOM 120 C VAL A 10 8.752 9.711 -8.133 1.00 0.00 C ATOM 121 O VAL A 10 9.113 10.878 -7.949 1.00 0.00 O ATOM 122 CB VAL A 10 7.035 8.765 -6.403 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.512 9.736 -5.294 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.570 8.417 -6.041 1.00 0.00 C ATOM 0 H VAL A 10 6.280 7.552 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 10 6.703 10.270 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 10 7.636 7.856 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.337 9.286 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.577 9.934 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.958 10.672 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.528 8.037 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.953 9.312 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.196 7.657 -6.727 1.00 0.00 H new ATOM 134 N PHE A 11 9.612 8.785 -8.615 1.00 0.00 N ATOM 135 CA PHE A 11 10.979 9.118 -9.117 1.00 0.00 C ATOM 136 C PHE A 11 11.083 10.209 -10.251 1.00 0.00 C ATOM 137 O PHE A 11 12.133 10.844 -10.349 1.00 0.00 O ATOM 138 CB PHE A 11 11.714 7.788 -9.475 1.00 0.00 C ATOM 139 CG PHE A 11 13.244 7.913 -9.645 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.077 7.970 -8.524 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.806 8.066 -10.915 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.436 8.230 -8.666 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.164 8.358 -11.053 1.00 0.00 C ATOM 144 CZ PHE A 11 15.976 8.460 -9.927 1.00 0.00 C ATOM 0 H PHE A 11 9.387 7.792 -8.670 1.00 0.00 H new ATOM 0 HA PHE A 11 11.485 9.630 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.509 7.056 -8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.292 7.395 -10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.662 7.811 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.187 7.958 -11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.074 8.253 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.586 8.505 -12.036 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.020 8.716 -10.032 1.00 0.00 H new ATOM 154 N GLY A 12 10.024 10.515 -11.032 1.00 0.00 N ATOM 155 CA GLY A 12 9.930 11.791 -11.811 1.00 0.00 C ATOM 156 C GLY A 12 10.207 13.146 -11.099 1.00 0.00 C ATOM 157 O GLY A 12 10.840 14.022 -11.690 1.00 0.00 O ATOM 0 H GLY A 12 9.217 9.902 -11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.624 11.714 -12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.926 11.843 -12.233 1.00 0.00 H new ATOM 161 N LYS A 13 9.798 13.294 -9.827 1.00 0.00 N ATOM 162 CA LYS A 13 10.309 14.374 -8.921 1.00 0.00 C ATOM 163 C LYS A 13 11.866 14.394 -8.696 1.00 0.00 C ATOM 164 O LYS A 13 12.479 15.464 -8.675 1.00 0.00 O ATOM 165 CB LYS A 13 9.591 14.254 -7.545 1.00 0.00 C ATOM 166 CG LYS A 13 8.057 14.451 -7.533 1.00 0.00 C ATOM 167 CD LYS A 13 7.457 14.145 -6.145 1.00 0.00 C ATOM 168 CE LYS A 13 5.922 14.207 -6.069 1.00 0.00 C ATOM 169 NZ LYS A 13 5.419 15.593 -6.135 1.00 0.00 N ATOM 0 H LYS A 13 9.111 12.682 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 13 10.084 15.313 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.809 13.268 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.032 14.986 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.819 15.477 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.600 13.801 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.780 13.150 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.870 14.851 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.495 13.627 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.586 13.744 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.380 15.588 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.805 16.141 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.717 16.028 -7.032 1.00 0.00 H new ATOM 182 N CYS A 14 12.487 13.214 -8.518 1.00 0.00 N ATOM 183 CA CYS A 14 13.958 13.059 -8.400 1.00 0.00 C ATOM 184 C CYS A 14 14.764 13.156 -9.753 1.00 0.00 C ATOM 185 O CYS A 14 15.871 13.701 -9.744 1.00 0.00 O ATOM 186 CB CYS A 14 14.194 11.725 -7.647 1.00 0.00 C ATOM 187 SG CYS A 14 12.944 11.324 -6.371 1.00 0.00 S ATOM 0 H CYS A 14 11.982 12.330 -8.451 1.00 0.00 H new ATOM 0 HA CYS A 14 14.360 13.909 -7.848 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.221 10.914 -8.375 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.175 11.761 -7.174 1.00 0.00 H new ATOM 0 HG CYS A 14 13.243 10.189 -5.812 1.00 0.00 H new ATOM 192 N LYS A 15 14.218 12.687 -10.904 1.00 0.00 N ATOM 193 CA LYS A 15 14.837 12.824 -12.267 1.00 0.00 C ATOM 194 C LYS A 15 15.278 14.240 -12.762 1.00 0.00 C ATOM 195 O LYS A 15 16.209 14.320 -13.568 1.00 0.00 O ATOM 196 CB LYS A 15 13.904 12.185 -13.342 1.00 0.00 C ATOM 197 CG LYS A 15 13.931 10.643 -13.377 1.00 0.00 C ATOM 198 CD LYS A 15 13.284 9.968 -14.604 1.00 0.00 C ATOM 199 CE LYS A 15 11.752 10.062 -14.648 1.00 0.00 C ATOM 200 NZ LYS A 15 11.228 9.289 -15.791 1.00 0.00 N ATOM 0 H LYS A 15 13.324 12.195 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 15 15.783 12.298 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.881 12.514 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.189 12.563 -14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.970 10.319 -13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.431 10.273 -12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.689 10.422 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.572 8.917 -14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.330 9.682 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.446 11.105 -14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.191 9.359 -15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.618 9.671 -16.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.505 8.292 -15.692 1.00 0.00 H new ATOM 213 N ALA A 16 14.678 15.344 -12.277 1.00 0.00 N ATOM 214 CA ALA A 16 15.280 16.704 -12.407 1.00 0.00 C ATOM 215 C ALA A 16 16.757 16.909 -11.902 1.00 0.00 C ATOM 216 O ALA A 16 17.445 17.805 -12.396 1.00 0.00 O ATOM 217 CB ALA A 16 14.302 17.660 -11.697 1.00 0.00 C ATOM 0 H ALA A 16 13.781 15.331 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 16 15.402 16.901 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.683 18.679 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.327 17.609 -12.182 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.203 17.368 -10.651 1.00 0.00 H new ATOM 223 N CYS A 17 17.234 16.094 -10.939 1.00 0.00 N ATOM 224 CA CYS A 17 18.627 16.140 -10.420 1.00 0.00 C ATOM 225 C CYS A 17 19.409 14.774 -10.395 1.00 0.00 C ATOM 226 O CYS A 17 20.635 14.782 -10.547 1.00 0.00 O ATOM 227 CB CYS A 17 18.532 16.725 -8.998 1.00 0.00 C ATOM 228 SG CYS A 17 17.524 18.239 -8.933 1.00 0.00 S ATOM 0 H CYS A 17 16.662 15.377 -10.492 1.00 0.00 H new ATOM 0 HA CYS A 17 19.213 16.747 -11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.104 15.978 -8.329 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.535 16.944 -8.631 1.00 0.00 H new ATOM 0 HG CYS A 17 17.482 18.680 -7.711 1.00 0.00 H new ATOM 233 N HIS A 18 18.734 13.633 -10.142 1.00 0.00 N ATOM 234 CA HIS A 18 19.374 12.313 -9.879 1.00 0.00 C ATOM 235 C HIS A 18 19.206 11.309 -11.063 1.00 0.00 C ATOM 236 O HIS A 18 18.141 11.193 -11.678 1.00 0.00 O ATOM 237 CB HIS A 18 18.730 11.713 -8.604 1.00 0.00 C ATOM 238 CG HIS A 18 19.203 12.325 -7.292 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.259 11.819 -6.576 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.508 13.257 -6.524 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.056 12.408 -5.364 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.059 13.369 -5.243 1.00 0.00 N ATOM 0 H HIS A 18 17.715 13.595 -10.113 1.00 0.00 H new ATOM 0 HA HIS A 18 20.444 12.475 -9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.648 11.830 -8.672 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.934 10.642 -8.582 1.00 0.00 H new ATOM 0 HD1 HIS A 18 20.995 11.177 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.655 13.820 -6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.660 12.133 -4.512 1.00 0.00 H new ATOM 250 N LYS A 19 20.264 10.522 -11.317 1.00 0.00 N ATOM 251 CA LYS A 19 20.267 9.462 -12.367 1.00 0.00 C ATOM 252 C LYS A 19 20.107 8.031 -11.750 1.00 0.00 C ATOM 253 O LYS A 19 20.451 7.770 -10.592 1.00 0.00 O ATOM 254 CB LYS A 19 21.598 9.575 -13.165 1.00 0.00 C ATOM 255 CG LYS A 19 21.785 10.866 -14.001 1.00 0.00 C ATOM 256 CD LYS A 19 23.212 11.000 -14.566 1.00 0.00 C ATOM 257 CE LYS A 19 23.399 12.295 -15.371 1.00 0.00 C ATOM 258 NZ LYS A 19 24.819 12.471 -15.732 1.00 0.00 N ATOM 0 H LYS A 19 21.145 10.593 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 19 19.415 9.610 -13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.427 9.499 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.669 8.719 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.070 10.869 -14.824 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.560 11.733 -13.380 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.929 10.978 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.430 10.143 -15.204 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.788 12.262 -16.273 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.057 13.148 -14.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.925 13.323 -16.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.387 12.574 -14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.147 11.640 -16.265 1.00 0.00 H new ATOM 271 N LEU A 20 19.630 7.077 -12.565 1.00 0.00 N ATOM 272 CA LEU A 20 19.695 5.618 -12.230 1.00 0.00 C ATOM 273 C LEU A 20 20.862 4.833 -12.914 1.00 0.00 C ATOM 274 O LEU A 20 21.311 3.835 -12.349 1.00 0.00 O ATOM 275 CB LEU A 20 18.322 4.941 -12.505 1.00 0.00 C ATOM 276 CG LEU A 20 17.145 5.408 -11.610 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.806 4.890 -12.146 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.290 4.991 -10.135 1.00 0.00 C ATOM 0 H LEU A 20 19.192 7.275 -13.465 1.00 0.00 H new ATOM 0 HA LEU A 20 19.924 5.572 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.054 5.118 -13.546 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.439 3.864 -12.385 1.00 0.00 H new ATOM 0 HG LEU A 20 17.170 6.497 -11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.998 5.232 -11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.647 5.268 -13.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.819 3.800 -12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.431 5.352 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.339 3.904 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.203 5.422 -9.723 1.00 0.00 H new ATOM 290 N ASP A 21 21.379 5.226 -14.094 1.00 0.00 N ATOM 291 CA ASP A 21 22.382 4.406 -14.840 1.00 0.00 C ATOM 292 C ASP A 21 23.867 4.635 -14.376 1.00 0.00 C ATOM 293 O ASP A 21 24.721 5.047 -15.170 1.00 0.00 O ATOM 294 CB ASP A 21 22.095 4.670 -16.346 1.00 0.00 C ATOM 295 CG ASP A 21 22.799 3.710 -17.305 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.592 2.502 -17.335 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.680 4.346 -18.125 1.00 0.00 O ATOM 0 H ASP A 21 21.127 6.099 -14.558 1.00 0.00 H new ATOM 0 HA ASP A 21 22.273 3.343 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.020 4.607 -16.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.396 5.689 -16.587 1.00 0.00 H new ATOM 302 N GLY A 22 24.179 4.361 -13.088 1.00 0.00 N ATOM 303 CA GLY A 22 25.572 4.421 -12.542 1.00 0.00 C ATOM 304 C GLY A 22 26.290 5.792 -12.380 1.00 0.00 C ATOM 305 O GLY A 22 27.014 6.008 -11.408 1.00 0.00 O ATOM 0 H GLY A 22 23.482 4.092 -12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.555 3.947 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.198 3.802 -13.185 1.00 0.00 H new ATOM 309 N ASN A 23 26.116 6.689 -13.353 1.00 0.00 N ATOM 310 CA ASN A 23 26.752 8.031 -13.395 1.00 0.00 C ATOM 311 C ASN A 23 26.017 9.083 -12.500 1.00 0.00 C ATOM 312 O ASN A 23 24.818 8.982 -12.227 1.00 0.00 O ATOM 313 CB ASN A 23 26.768 8.484 -14.885 1.00 0.00 C ATOM 314 CG ASN A 23 27.734 7.723 -15.804 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.915 8.036 -15.892 1.00 0.00 O ATOM 316 ND2 ASN A 23 27.283 6.713 -16.510 1.00 0.00 N ATOM 0 H ASN A 23 25.517 6.509 -14.158 1.00 0.00 H new ATOM 0 HA ASN A 23 27.762 7.963 -12.990 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.760 8.384 -15.286 1.00 0.00 H new ATOM 0 HB3 ASN A 23 27.021 9.544 -14.920 1.00 0.00 H new ATOM 0 HD21 ASN A 23 27.914 6.198 -17.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.301 6.443 -16.445 1.00 0.00 H new ATOM 323 N ASP A 24 26.750 10.117 -12.060 1.00 0.00 N ATOM 324 CA ASP A 24 26.198 11.190 -11.180 1.00 0.00 C ATOM 325 C ASP A 24 25.758 12.452 -12.000 1.00 0.00 C ATOM 326 O ASP A 24 26.301 12.731 -13.076 1.00 0.00 O ATOM 327 CB ASP A 24 27.259 11.543 -10.097 1.00 0.00 C ATOM 328 CG ASP A 24 27.809 10.405 -9.220 1.00 0.00 C ATOM 329 OD1 ASP A 24 26.864 9.477 -8.892 1.00 0.00 O ATOM 330 OD2 ASP A 24 28.982 10.327 -8.875 1.00 0.00 O ATOM 0 H ASP A 24 27.735 10.244 -12.294 1.00 0.00 H new ATOM 0 HA ASP A 24 25.295 10.823 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.104 12.014 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 24 26.823 12.292 -9.436 1.00 0.00 H new ATOM 335 N GLY A 25 24.772 13.216 -11.493 1.00 0.00 N ATOM 336 CA GLY A 25 24.324 14.483 -12.140 1.00 0.00 C ATOM 337 C GLY A 25 24.429 15.700 -11.202 1.00 0.00 C ATOM 338 O GLY A 25 25.518 16.039 -10.733 1.00 0.00 O ATOM 0 H GLY A 25 24.265 12.986 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.926 14.663 -13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.291 14.372 -12.470 1.00 0.00 H new ATOM 342 N VAL A 26 23.291 16.349 -10.915 1.00 0.00 N ATOM 343 CA VAL A 26 23.200 17.381 -9.826 1.00 0.00 C ATOM 344 C VAL A 26 23.221 16.708 -8.405 1.00 0.00 C ATOM 345 O VAL A 26 24.009 17.125 -7.553 1.00 0.00 O ATOM 346 CB VAL A 26 21.992 18.352 -10.081 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.775 19.410 -8.974 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.083 19.127 -11.419 1.00 0.00 C ATOM 0 H VAL A 26 22.413 16.191 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 26 24.087 18.014 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 26 21.151 17.659 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.921 20.037 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.584 18.909 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.667 20.031 -8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.214 19.776 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.990 19.731 -11.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.109 18.420 -12.248 1.00 0.00 H new ATOM 358 N GLY A 27 22.407 15.661 -8.170 1.00 0.00 N ATOM 359 CA GLY A 27 22.689 14.670 -7.101 1.00 0.00 C ATOM 360 C GLY A 27 23.403 13.368 -7.587 1.00 0.00 C ATOM 361 O GLY A 27 23.512 13.144 -8.800 1.00 0.00 O ATOM 0 H GLY A 27 21.554 15.476 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.308 15.144 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.749 14.395 -6.622 1.00 0.00 H new ATOM 365 N PRO A 28 23.885 12.453 -6.696 1.00 0.00 N ATOM 366 CA PRO A 28 24.512 11.169 -7.128 1.00 0.00 C ATOM 367 C PRO A 28 23.513 10.115 -7.716 1.00 0.00 C ATOM 368 O PRO A 28 22.292 10.298 -7.701 1.00 0.00 O ATOM 369 CB PRO A 28 25.196 10.727 -5.816 1.00 0.00 C ATOM 370 CG PRO A 28 24.281 11.256 -4.712 1.00 0.00 C ATOM 371 CD PRO A 28 23.845 12.624 -5.229 1.00 0.00 C ATOM 0 HA PRO A 28 25.192 11.278 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.294 9.643 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.200 11.142 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.427 10.598 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.806 11.336 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.846 12.888 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.518 13.414 -4.896 1.00 0.00 H new ATOM 379 N HIS A 29 24.024 8.976 -8.214 1.00 0.00 N ATOM 380 CA HIS A 29 23.162 7.864 -8.704 1.00 0.00 C ATOM 381 C HIS A 29 22.307 7.202 -7.568 1.00 0.00 C ATOM 382 O HIS A 29 22.847 6.719 -6.566 1.00 0.00 O ATOM 383 CB HIS A 29 23.983 6.834 -9.530 1.00 0.00 C ATOM 384 CG HIS A 29 25.015 5.967 -8.798 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.203 6.454 -8.259 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.947 4.566 -8.676 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.762 5.264 -7.865 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.083 4.089 -8.050 1.00 0.00 N ATOM 0 H HIS A 29 25.024 8.793 -8.292 1.00 0.00 H new ATOM 0 HA HIS A 29 22.432 8.304 -9.383 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.277 6.165 -10.022 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.506 7.380 -10.316 1.00 0.00 H new ATOM 0 HD1 HIS A 29 26.553 7.409 -8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.127 3.954 -9.021 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.740 5.254 -7.408 1.00 0.00 H new ATOM 396 N LEU A 30 20.973 7.188 -7.721 1.00 0.00 N ATOM 397 CA LEU A 30 20.057 6.496 -6.753 1.00 0.00 C ATOM 398 C LEU A 30 19.779 4.979 -7.013 1.00 0.00 C ATOM 399 O LEU A 30 19.192 4.319 -6.151 1.00 0.00 O ATOM 400 CB LEU A 30 18.758 7.327 -6.567 1.00 0.00 C ATOM 401 CG LEU A 30 18.924 8.681 -5.828 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.623 9.493 -5.877 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.356 8.548 -4.357 1.00 0.00 C ATOM 0 H LEU A 30 20.491 7.641 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 30 20.607 6.461 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.329 7.521 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.037 6.721 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 30 19.726 9.192 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.764 10.438 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.356 9.691 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.823 8.928 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.449 9.540 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.609 7.974 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.317 8.036 -4.305 1.00 0.00 H new ATOM 415 N ASN A 31 20.297 4.390 -8.108 1.00 0.00 N ATOM 416 CA ASN A 31 20.545 2.930 -8.190 1.00 0.00 C ATOM 417 C ASN A 31 21.626 2.490 -7.145 1.00 0.00 C ATOM 418 O ASN A 31 22.749 3.005 -7.123 1.00 0.00 O ATOM 419 CB ASN A 31 20.944 2.623 -9.653 1.00 0.00 C ATOM 420 CG ASN A 31 21.151 1.141 -9.962 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.198 0.393 -10.141 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.380 0.677 -9.976 1.00 0.00 N ATOM 0 H ASN A 31 20.554 4.901 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 31 19.655 2.354 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.171 3.014 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.864 3.160 -9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.548 -0.316 -10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.166 1.310 -9.826 1.00 0.00 H new ATOM 429 N GLY A 32 21.246 1.575 -6.251 1.00 0.00 N ATOM 430 CA GLY A 32 22.130 1.133 -5.141 1.00 0.00 C ATOM 431 C GLY A 32 22.247 2.088 -3.935 1.00 0.00 C ATOM 432 O GLY A 32 23.353 2.274 -3.431 1.00 0.00 O ATOM 0 H GLY A 32 20.334 1.118 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.770 0.170 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.129 0.969 -5.545 1.00 0.00 H new ATOM 436 N VAL A 33 21.130 2.672 -3.471 1.00 0.00 N ATOM 437 CA VAL A 33 21.099 3.552 -2.261 1.00 0.00 C ATOM 438 C VAL A 33 20.582 2.854 -0.956 1.00 0.00 C ATOM 439 O VAL A 33 21.057 3.207 0.124 1.00 0.00 O ATOM 440 CB VAL A 33 20.395 4.913 -2.591 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.862 4.825 -2.752 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.720 6.020 -1.561 1.00 0.00 C ATOM 0 H VAL A 33 20.218 2.556 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 33 22.135 3.777 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 33 20.814 5.176 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.463 5.814 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.620 4.141 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.419 4.459 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.205 6.939 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.389 5.705 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.795 6.197 -1.544 1.00 0.00 H new ATOM 452 N VAL A 34 19.628 1.901 -1.017 1.00 0.00 N ATOM 453 CA VAL A 34 18.990 1.298 0.195 1.00 0.00 C ATOM 454 C VAL A 34 19.993 0.299 0.869 1.00 0.00 C ATOM 455 O VAL A 34 20.268 -0.783 0.340 1.00 0.00 O ATOM 456 CB VAL A 34 17.597 0.656 -0.144 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.859 0.196 1.138 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.624 1.588 -0.911 1.00 0.00 C ATOM 0 H VAL A 34 19.274 1.523 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 34 18.772 2.081 0.921 1.00 0.00 H new ATOM 0 HB VAL A 34 17.853 -0.184 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.899 -0.243 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.464 -0.546 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.694 1.053 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.689 1.061 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.424 2.477 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.074 1.883 -1.859 1.00 0.00 H new ATOM 468 N GLY A 35 20.591 0.711 1.999 1.00 0.00 N ATOM 469 CA GLY A 35 21.844 0.087 2.511 1.00 0.00 C ATOM 470 C GLY A 35 23.170 0.869 2.322 1.00 0.00 C ATOM 471 O GLY A 35 24.087 0.652 3.117 1.00 0.00 O ATOM 0 H GLY A 35 20.236 1.470 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.714 -0.100 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.956 -0.884 2.029 1.00 0.00 H new ATOM 475 N ARG A 36 23.317 1.753 1.314 1.00 0.00 N ATOM 476 CA ARG A 36 24.592 2.486 1.053 1.00 0.00 C ATOM 477 C ARG A 36 24.982 3.491 2.183 1.00 0.00 C ATOM 478 O ARG A 36 24.128 4.185 2.740 1.00 0.00 O ATOM 479 CB ARG A 36 24.465 3.196 -0.325 1.00 0.00 C ATOM 480 CG ARG A 36 25.753 3.890 -0.852 1.00 0.00 C ATOM 481 CD ARG A 36 25.706 4.337 -2.325 1.00 0.00 C ATOM 482 NE ARG A 36 24.848 5.540 -2.540 1.00 0.00 N ATOM 483 CZ ARG A 36 24.252 5.859 -3.691 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.105 5.032 -4.693 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.783 7.062 -3.840 1.00 0.00 N ATOM 0 H ARG A 36 22.569 1.984 0.659 1.00 0.00 H new ATOM 0 HA ARG A 36 25.407 1.762 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.144 2.461 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.675 3.944 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.955 4.763 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.592 3.206 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.718 4.553 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.332 3.516 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 36 24.707 6.166 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.457 4.077 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.639 5.342 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.874 7.742 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.324 7.326 -4.712 1.00 0.00 H new ATOM 499 N THR A 37 26.291 3.601 2.472 1.00 0.00 N ATOM 500 CA THR A 37 26.847 4.584 3.449 1.00 0.00 C ATOM 501 C THR A 37 26.420 6.068 3.165 1.00 0.00 C ATOM 502 O THR A 37 26.386 6.510 2.009 1.00 0.00 O ATOM 503 CB THR A 37 28.400 4.406 3.484 1.00 0.00 C ATOM 504 OG1 THR A 37 28.751 3.052 3.757 1.00 0.00 O ATOM 505 CG2 THR A 37 29.134 5.231 4.555 1.00 0.00 C ATOM 0 H THR A 37 27.004 3.014 2.039 1.00 0.00 H new ATOM 0 HA THR A 37 26.425 4.375 4.432 1.00 0.00 H new ATOM 0 HB THR A 37 28.708 4.748 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.727 2.964 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.205 5.035 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.949 6.292 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.769 4.951 5.543 1.00 0.00 H new ATOM 513 N VAL A 38 26.108 6.839 4.227 1.00 0.00 N ATOM 514 CA VAL A 38 25.833 8.306 4.101 1.00 0.00 C ATOM 515 C VAL A 38 27.145 9.057 3.667 1.00 0.00 C ATOM 516 O VAL A 38 28.180 8.965 4.334 1.00 0.00 O ATOM 517 CB VAL A 38 25.188 8.929 5.387 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.818 10.420 5.190 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.898 8.230 5.877 1.00 0.00 C ATOM 0 H VAL A 38 26.038 6.483 5.180 1.00 0.00 H new ATOM 0 HA VAL A 38 25.082 8.436 3.322 1.00 0.00 H new ATOM 0 HB VAL A 38 25.971 8.795 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.375 10.809 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.716 10.989 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.102 10.512 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.528 8.733 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.140 8.276 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.115 7.188 6.111 1.00 0.00 H new ATOM 529 N ALA A 39 27.090 9.740 2.506 1.00 0.00 N ATOM 530 CA ALA A 39 28.297 10.191 1.749 1.00 0.00 C ATOM 531 C ALA A 39 29.232 9.051 1.196 1.00 0.00 C ATOM 532 O ALA A 39 30.456 9.096 1.343 1.00 0.00 O ATOM 533 CB ALA A 39 29.027 11.325 2.503 1.00 0.00 C ATOM 0 H ALA A 39 26.211 10.000 2.058 1.00 0.00 H new ATOM 0 HA ALA A 39 27.922 10.614 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.902 11.637 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.353 12.173 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.342 10.967 3.483 1.00 0.00 H new ATOM 539 N GLY A 40 28.648 8.043 0.518 1.00 0.00 N ATOM 540 CA GLY A 40 29.396 6.835 0.061 1.00 0.00 C ATOM 541 C GLY A 40 29.979 6.815 -1.372 1.00 0.00 C ATOM 542 O GLY A 40 30.958 6.104 -1.614 1.00 0.00 O ATOM 0 H GLY A 40 27.659 8.034 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.221 6.676 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.729 5.978 0.158 1.00 0.00 H new ATOM 546 N VAL A 41 29.392 7.553 -2.331 1.00 0.00 N ATOM 547 CA VAL A 41 29.870 7.590 -3.748 1.00 0.00 C ATOM 548 C VAL A 41 31.196 8.420 -3.844 1.00 0.00 C ATOM 549 O VAL A 41 31.190 9.654 -3.906 1.00 0.00 O ATOM 550 CB VAL A 41 28.724 8.097 -4.693 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.151 8.241 -6.173 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.468 7.194 -4.687 1.00 0.00 C ATOM 0 H VAL A 41 28.577 8.142 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 41 30.117 6.586 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 41 28.491 9.075 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.306 8.595 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.970 8.956 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.478 7.273 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.719 7.607 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.739 6.191 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.059 7.147 -3.678 1.00 0.00 H new ATOM 562 N ASP A 42 32.336 7.707 -3.866 1.00 0.00 N ATOM 563 CA ASP A 42 33.687 8.326 -3.930 1.00 0.00 C ATOM 564 C ASP A 42 33.991 8.808 -5.387 1.00 0.00 C ATOM 565 O ASP A 42 34.180 8.004 -6.305 1.00 0.00 O ATOM 566 CB ASP A 42 34.705 7.284 -3.396 1.00 0.00 C ATOM 567 CG ASP A 42 34.838 7.191 -1.871 1.00 0.00 C ATOM 568 OD1 ASP A 42 33.671 6.848 -1.244 1.00 0.00 O ATOM 569 OD2 ASP A 42 35.896 7.401 -1.286 1.00 0.00 O ATOM 0 H ASP A 42 32.355 6.688 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 42 33.753 9.218 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.423 6.302 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.685 7.517 -3.812 1.00 0.00 H new ATOM 574 N GLY A 43 33.934 10.131 -5.593 1.00 0.00 N ATOM 575 CA GLY A 43 33.647 10.714 -6.933 1.00 0.00 C ATOM 576 C GLY A 43 32.712 11.944 -6.887 1.00 0.00 C ATOM 577 O GLY A 43 33.055 12.992 -7.437 1.00 0.00 O ATOM 0 H GLY A 43 34.081 10.824 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.587 11.001 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.195 9.948 -7.564 1.00 0.00 H new ATOM 581 N PHE A 44 31.542 11.825 -6.233 1.00 0.00 N ATOM 582 CA PHE A 44 30.646 12.983 -5.973 1.00 0.00 C ATOM 583 C PHE A 44 31.138 13.832 -4.749 1.00 0.00 C ATOM 584 O PHE A 44 31.376 13.303 -3.658 1.00 0.00 O ATOM 585 CB PHE A 44 29.208 12.422 -5.779 1.00 0.00 C ATOM 586 CG PHE A 44 28.111 13.499 -5.721 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.544 14.003 -6.895 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.721 14.032 -4.489 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.599 15.025 -6.837 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.785 15.059 -4.429 1.00 0.00 C ATOM 591 CZ PHE A 44 26.222 15.552 -5.604 1.00 0.00 C ATOM 0 H PHE A 44 31.188 10.939 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 44 30.655 13.674 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.985 11.736 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.179 11.840 -4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.840 13.598 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.150 13.643 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.160 15.408 -7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.496 15.473 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.491 16.345 -5.559 1.00 0.00 H new ATOM 601 N ASN A 45 31.238 15.164 -4.924 1.00 0.00 N ATOM 602 CA ASN A 45 31.646 16.090 -3.831 1.00 0.00 C ATOM 603 C ASN A 45 30.444 16.432 -2.884 1.00 0.00 C ATOM 604 O ASN A 45 29.717 17.409 -3.094 1.00 0.00 O ATOM 605 CB ASN A 45 32.304 17.329 -4.501 1.00 0.00 C ATOM 606 CG ASN A 45 33.059 18.254 -3.544 1.00 0.00 C ATOM 607 OD1 ASN A 45 34.251 18.105 -3.305 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.405 19.229 -2.963 1.00 0.00 N ATOM 0 H ASN A 45 31.043 15.630 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 45 32.376 15.625 -3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.995 16.984 -5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 45 31.529 17.906 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 45 32.889 19.855 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 45 31.412 19.362 -3.155 1.00 0.00 H new ATOM 615 N TYR A 46 30.267 15.630 -1.823 1.00 0.00 N ATOM 616 CA TYR A 46 29.185 15.831 -0.816 1.00 0.00 C ATOM 617 C TYR A 46 29.411 17.065 0.128 1.00 0.00 C ATOM 618 O TYR A 46 30.541 17.514 0.346 1.00 0.00 O ATOM 619 CB TYR A 46 29.044 14.514 0.008 1.00 0.00 C ATOM 620 CG TYR A 46 28.465 13.292 -0.731 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.083 13.141 -0.872 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.315 12.301 -1.235 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.557 12.012 -1.493 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.785 11.171 -1.854 1.00 0.00 C ATOM 625 CZ TYR A 46 27.407 11.014 -1.967 1.00 0.00 C ATOM 626 OH TYR A 46 26.905 9.849 -2.492 1.00 0.00 O ATOM 0 H TYR A 46 30.861 14.824 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 46 28.264 16.059 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.029 14.245 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.412 14.720 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.419 13.905 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.385 12.413 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.488 11.909 -1.608 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.447 10.414 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 46 25.926 9.872 -2.462 1.00 0.00 H new ATOM 636 N SER A 47 28.322 17.596 0.724 1.00 0.00 N ATOM 637 CA SER A 47 28.413 18.685 1.742 1.00 0.00 C ATOM 638 C SER A 47 29.097 18.245 3.083 1.00 0.00 C ATOM 639 O SER A 47 29.076 17.067 3.454 1.00 0.00 O ATOM 640 CB SER A 47 26.982 19.232 1.981 1.00 0.00 C ATOM 641 OG SER A 47 27.033 20.459 2.713 1.00 0.00 O ATOM 0 H SER A 47 27.368 17.295 0.524 1.00 0.00 H new ATOM 0 HA SER A 47 29.065 19.467 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.483 19.392 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.392 18.498 2.530 1.00 0.00 H new ATOM 0 HG SER A 47 26.300 20.483 3.363 1.00 0.00 H new ATOM 647 N ASP A 48 29.682 19.201 3.830 1.00 0.00 N ATOM 648 CA ASP A 48 30.354 18.910 5.135 1.00 0.00 C ATOM 649 C ASP A 48 29.434 18.269 6.244 1.00 0.00 C ATOM 650 O ASP A 48 29.848 17.224 6.756 1.00 0.00 O ATOM 651 CB ASP A 48 31.140 20.152 5.637 1.00 0.00 C ATOM 652 CG ASP A 48 32.356 20.535 4.786 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.374 19.851 4.724 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.176 21.709 4.112 1.00 0.00 O ATOM 0 H ASP A 48 29.709 20.185 3.562 1.00 0.00 H new ATOM 0 HA ASP A 48 31.068 18.113 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.460 21.003 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.474 19.964 6.657 1.00 0.00 H new ATOM 659 N PRO A 49 28.201 18.746 6.607 1.00 0.00 N ATOM 660 CA PRO A 49 27.247 17.947 7.430 1.00 0.00 C ATOM 661 C PRO A 49 26.683 16.623 6.812 1.00 0.00 C ATOM 662 O PRO A 49 26.341 15.723 7.576 1.00 0.00 O ATOM 663 CB PRO A 49 26.166 18.976 7.802 1.00 0.00 C ATOM 664 CG PRO A 49 26.238 20.069 6.738 1.00 0.00 C ATOM 665 CD PRO A 49 27.660 20.050 6.183 1.00 0.00 C ATOM 0 HA PRO A 49 27.762 17.510 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.179 18.515 7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.345 19.387 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.511 19.886 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.003 21.043 7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.664 20.148 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.253 20.874 6.580 1.00 0.00 H new ATOM 673 N MET A 50 26.619 16.464 5.473 1.00 0.00 N ATOM 674 CA MET A 50 26.410 15.130 4.827 1.00 0.00 C ATOM 675 C MET A 50 27.587 14.116 5.051 1.00 0.00 C ATOM 676 O MET A 50 27.335 12.985 5.474 1.00 0.00 O ATOM 677 CB MET A 50 26.044 15.383 3.338 1.00 0.00 C ATOM 678 CG MET A 50 25.637 14.137 2.524 1.00 0.00 C ATOM 679 SD MET A 50 24.269 13.253 3.300 1.00 0.00 S ATOM 680 CE MET A 50 22.861 14.116 2.586 1.00 0.00 C ATOM 0 H MET A 50 26.708 17.235 4.811 1.00 0.00 H new ATOM 0 HA MET A 50 25.582 14.614 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.224 16.100 3.302 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.898 15.850 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.351 14.438 1.516 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.493 13.470 2.427 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.972 13.920 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.060 15.188 2.572 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.697 13.764 1.567 1.00 0.00 H new ATOM 690 N LYS A 51 28.854 14.522 4.833 1.00 0.00 N ATOM 691 CA LYS A 51 30.056 13.745 5.266 1.00 0.00 C ATOM 692 C LYS A 51 30.166 13.456 6.802 1.00 0.00 C ATOM 693 O LYS A 51 30.429 12.314 7.185 1.00 0.00 O ATOM 694 CB LYS A 51 31.338 14.431 4.713 1.00 0.00 C ATOM 695 CG LYS A 51 31.481 14.458 3.170 1.00 0.00 C ATOM 696 CD LYS A 51 32.795 15.074 2.637 1.00 0.00 C ATOM 697 CE LYS A 51 32.955 16.598 2.813 1.00 0.00 C ATOM 698 NZ LYS A 51 33.528 16.950 4.130 1.00 0.00 N ATOM 0 H LYS A 51 29.083 15.393 4.354 1.00 0.00 H new ATOM 0 HA LYS A 51 29.940 12.750 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.364 15.458 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.207 13.922 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.400 13.437 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.643 15.017 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.630 14.582 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.876 14.842 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 51 33.597 16.988 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.983 17.079 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.213 17.903 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.209 16.263 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.566 16.932 4.073 1.00 0.00 H new ATOM 711 N ALA A 52 29.935 14.454 7.674 1.00 0.00 N ATOM 712 CA ALA A 52 29.877 14.248 9.147 1.00 0.00 C ATOM 713 C ALA A 52 28.655 13.479 9.759 1.00 0.00 C ATOM 714 O ALA A 52 28.747 13.063 10.917 1.00 0.00 O ATOM 715 CB ALA A 52 29.996 15.654 9.755 1.00 0.00 C ATOM 0 H ALA A 52 29.783 15.421 7.389 1.00 0.00 H new ATOM 0 HA ALA A 52 30.686 13.561 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.961 15.584 10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.941 16.103 9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.170 16.273 9.404 1.00 0.00 H new ATOM 721 N HIS A 53 27.537 13.268 9.030 1.00 0.00 N ATOM 722 CA HIS A 53 26.364 12.491 9.532 1.00 0.00 C ATOM 723 C HIS A 53 26.665 10.985 9.857 1.00 0.00 C ATOM 724 O HIS A 53 26.374 10.540 10.971 1.00 0.00 O ATOM 725 CB HIS A 53 25.202 12.702 8.519 1.00 0.00 C ATOM 726 CG HIS A 53 23.830 12.163 8.934 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.346 10.913 8.579 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.858 12.879 9.648 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.097 10.988 9.137 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.707 12.126 9.789 1.00 0.00 N ATOM 0 H HIS A 53 27.415 13.625 8.083 1.00 0.00 H new ATOM 0 HA HIS A 53 26.075 12.872 10.511 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.105 13.771 8.328 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.482 12.233 7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.990 13.879 10.034 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.421 10.149 9.062 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.824 12.353 10.246 1.00 0.00 H new ATOM 738 N GLY A 54 27.241 10.219 8.909 1.00 0.00 N ATOM 739 CA GLY A 54 27.621 8.804 9.153 1.00 0.00 C ATOM 740 C GLY A 54 26.487 7.755 9.071 1.00 0.00 C ATOM 741 O GLY A 54 25.306 8.060 8.883 1.00 0.00 O ATOM 0 H GLY A 54 27.455 10.551 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.391 8.529 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.073 8.739 10.143 1.00 0.00 H new ATOM 745 N GLY A 55 26.877 6.480 9.207 1.00 0.00 N ATOM 746 CA GLY A 55 25.925 5.345 9.071 1.00 0.00 C ATOM 747 C GLY A 55 25.525 4.994 7.619 1.00 0.00 C ATOM 748 O GLY A 55 26.298 5.191 6.678 1.00 0.00 O ATOM 0 H GLY A 55 27.836 6.199 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.368 4.462 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.021 5.580 9.634 1.00 0.00 H new ATOM 752 N ASP A 56 24.315 4.442 7.449 1.00 0.00 N ATOM 753 CA ASP A 56 23.826 3.955 6.126 1.00 0.00 C ATOM 754 C ASP A 56 22.383 4.463 5.826 1.00 0.00 C ATOM 755 O ASP A 56 21.566 4.690 6.729 1.00 0.00 O ATOM 756 CB ASP A 56 23.883 2.400 6.043 1.00 0.00 C ATOM 757 CG ASP A 56 25.282 1.768 6.142 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.949 1.778 7.173 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.704 1.202 4.970 1.00 0.00 O ATOM 0 H ASP A 56 23.645 4.316 8.208 1.00 0.00 H new ATOM 0 HA ASP A 56 24.491 4.365 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.264 1.991 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.432 2.090 5.100 1.00 0.00 H new ATOM 764 N TRP A 57 22.040 4.553 4.528 1.00 0.00 N ATOM 765 CA TRP A 57 20.657 4.858 4.070 1.00 0.00 C ATOM 766 C TRP A 57 19.691 3.635 4.197 1.00 0.00 C ATOM 767 O TRP A 57 19.304 2.980 3.225 1.00 0.00 O ATOM 768 CB TRP A 57 20.723 5.442 2.631 1.00 0.00 C ATOM 769 CG TRP A 57 21.237 6.882 2.523 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.433 7.282 1.893 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.704 8.034 3.082 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.646 8.665 2.023 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.580 9.106 2.782 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.584 8.241 3.930 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.356 10.384 3.340 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.393 9.506 4.481 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.269 10.561 4.196 1.00 0.00 C ATOM 0 H TRP A 57 22.704 4.419 3.765 1.00 0.00 H new ATOM 0 HA TRP A 57 20.222 5.609 4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.364 4.800 2.027 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.725 5.398 2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.102 6.610 1.375 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.414 9.218 1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.896 7.436 4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.014 11.209 3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.554 9.676 5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.100 11.528 4.647 1.00 0.00 H new ATOM 788 N THR A 58 19.278 3.380 5.443 1.00 0.00 N ATOM 789 CA THR A 58 18.221 2.393 5.796 1.00 0.00 C ATOM 790 C THR A 58 16.779 2.890 5.399 1.00 0.00 C ATOM 791 O THR A 58 16.583 4.104 5.245 1.00 0.00 O ATOM 792 CB THR A 58 18.320 2.087 7.330 1.00 0.00 C ATOM 793 OG1 THR A 58 18.110 3.255 8.117 1.00 0.00 O ATOM 794 CG2 THR A 58 19.643 1.452 7.798 1.00 0.00 C ATOM 0 H THR A 58 19.668 3.855 6.257 1.00 0.00 H new ATOM 0 HA THR A 58 18.386 1.480 5.225 1.00 0.00 H new ATOM 0 HB THR A 58 17.530 1.351 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.177 3.026 9.067 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.605 1.283 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.791 0.501 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.471 2.122 7.566 1.00 0.00 H new ATOM 802 N PRO A 59 15.720 2.035 5.253 1.00 0.00 N ATOM 803 CA PRO A 59 14.334 2.519 4.961 1.00 0.00 C ATOM 804 C PRO A 59 13.684 3.519 5.984 1.00 0.00 C ATOM 805 O PRO A 59 12.964 4.428 5.565 1.00 0.00 O ATOM 806 CB PRO A 59 13.565 1.202 4.736 1.00 0.00 C ATOM 807 CG PRO A 59 14.364 0.114 5.454 1.00 0.00 C ATOM 808 CD PRO A 59 15.822 0.565 5.358 1.00 0.00 C ATOM 0 HA PRO A 59 14.317 3.186 4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.553 1.269 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.474 0.981 3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.049 0.014 6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.220 -0.858 4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.394 0.264 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.320 0.134 4.489 1.00 0.00 H new ATOM 816 N GLU A 60 14.001 3.414 7.289 1.00 0.00 N ATOM 817 CA GLU A 60 13.744 4.492 8.290 1.00 0.00 C ATOM 818 C GLU A 60 14.537 5.826 8.048 1.00 0.00 C ATOM 819 O GLU A 60 13.905 6.885 7.978 1.00 0.00 O ATOM 820 CB GLU A 60 13.941 3.864 9.696 1.00 0.00 C ATOM 821 CG GLU A 60 13.505 4.747 10.894 1.00 0.00 C ATOM 822 CD GLU A 60 14.579 5.689 11.442 1.00 0.00 C ATOM 823 OE1 GLU A 60 15.551 5.025 12.126 1.00 0.00 O ATOM 824 OE2 GLU A 60 14.568 6.906 11.287 1.00 0.00 O ATOM 0 H GLU A 60 14.442 2.585 7.688 1.00 0.00 H new ATOM 0 HA GLU A 60 12.718 4.846 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.384 2.928 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.995 3.614 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.645 5.343 10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.172 4.095 11.701 1.00 0.00 H new ATOM 831 N ALA A 61 15.880 5.796 7.893 1.00 0.00 N ATOM 832 CA ALA A 61 16.678 6.995 7.498 1.00 0.00 C ATOM 833 C ALA A 61 16.269 7.696 6.158 1.00 0.00 C ATOM 834 O ALA A 61 16.144 8.925 6.126 1.00 0.00 O ATOM 835 CB ALA A 61 18.161 6.575 7.497 1.00 0.00 C ATOM 0 H ALA A 61 16.441 4.956 8.034 1.00 0.00 H new ATOM 0 HA ALA A 61 16.471 7.774 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.780 7.426 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.444 6.237 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.309 5.764 6.784 1.00 0.00 H new ATOM 841 N LEU A 62 15.999 6.927 5.084 1.00 0.00 N ATOM 842 CA LEU A 62 15.332 7.442 3.855 1.00 0.00 C ATOM 843 C LEU A 62 13.893 8.015 4.069 1.00 0.00 C ATOM 844 O LEU A 62 13.633 9.113 3.577 1.00 0.00 O ATOM 845 CB LEU A 62 15.347 6.341 2.756 1.00 0.00 C ATOM 846 CG LEU A 62 16.728 5.978 2.150 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.630 4.668 1.355 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.278 7.087 1.233 1.00 0.00 C ATOM 0 H LEU A 62 16.233 5.935 5.037 1.00 0.00 H new ATOM 0 HA LEU A 62 15.914 8.306 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.912 5.435 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.693 6.662 1.945 1.00 0.00 H new ATOM 0 HG LEU A 62 17.418 5.861 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.606 4.424 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.308 3.864 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.906 4.785 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.246 6.783 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.584 7.256 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.394 8.008 1.805 1.00 0.00 H new ATOM 860 N GLN A 63 12.975 7.363 4.819 1.00 0.00 N ATOM 861 CA GLN A 63 11.697 8.012 5.251 1.00 0.00 C ATOM 862 C GLN A 63 11.837 9.355 6.044 1.00 0.00 C ATOM 863 O GLN A 63 11.110 10.303 5.731 1.00 0.00 O ATOM 864 CB GLN A 63 10.767 7.016 5.996 1.00 0.00 C ATOM 865 CG GLN A 63 9.969 6.049 5.078 1.00 0.00 C ATOM 866 CD GLN A 63 8.543 5.767 5.560 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.697 6.658 5.603 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.228 4.550 5.928 1.00 0.00 N ATOM 0 H GLN A 63 13.085 6.401 5.139 1.00 0.00 H new ATOM 0 HA GLN A 63 11.232 8.305 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.371 6.424 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.060 7.585 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.925 6.471 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.510 5.106 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.928 3.809 5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.282 4.343 6.249 1.00 0.00 H new ATOM 877 N GLU A 64 12.762 9.471 7.013 1.00 0.00 N ATOM 878 CA GLU A 64 13.100 10.774 7.658 1.00 0.00 C ATOM 879 C GLU A 64 13.677 11.850 6.676 1.00 0.00 C ATOM 880 O GLU A 64 13.110 12.942 6.572 1.00 0.00 O ATOM 881 CB GLU A 64 14.031 10.531 8.884 1.00 0.00 C ATOM 882 CG GLU A 64 13.440 9.719 10.066 1.00 0.00 C ATOM 883 CD GLU A 64 12.222 10.340 10.749 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.575 11.231 11.721 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.064 10.069 10.441 1.00 0.00 O ATOM 0 H GLU A 64 13.296 8.681 7.375 1.00 0.00 H new ATOM 0 HA GLU A 64 12.162 11.208 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.926 10.017 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.350 11.501 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.165 8.729 9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.221 9.578 10.813 1.00 0.00 H new ATOM 892 N PHE A 65 14.769 11.552 5.944 1.00 0.00 N ATOM 893 CA PHE A 65 15.356 12.486 4.938 1.00 0.00 C ATOM 894 C PHE A 65 14.440 12.859 3.724 1.00 0.00 C ATOM 895 O PHE A 65 14.417 14.024 3.329 1.00 0.00 O ATOM 896 CB PHE A 65 16.722 11.885 4.516 1.00 0.00 C ATOM 897 CG PHE A 65 17.630 12.809 3.685 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.352 13.832 4.308 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.759 12.619 2.305 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.178 14.665 3.556 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.595 13.447 1.560 1.00 0.00 C ATOM 902 CZ PHE A 65 19.296 14.475 2.182 1.00 0.00 C ATOM 0 H PHE A 65 15.271 10.668 6.025 1.00 0.00 H new ATOM 0 HA PHE A 65 15.479 13.462 5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.262 11.590 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.537 10.977 3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.269 13.977 5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.209 11.828 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.727 15.459 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.699 13.291 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.931 15.125 1.599 1.00 0.00 H new ATOM 912 N LEU A 66 13.666 11.923 3.147 1.00 0.00 N ATOM 913 CA LEU A 66 12.610 12.265 2.150 1.00 0.00 C ATOM 914 C LEU A 66 11.335 12.967 2.728 1.00 0.00 C ATOM 915 O LEU A 66 10.683 13.686 1.972 1.00 0.00 O ATOM 916 CB LEU A 66 12.257 11.032 1.269 1.00 0.00 C ATOM 917 CG LEU A 66 13.419 10.318 0.523 1.00 0.00 C ATOM 918 CD1 LEU A 66 12.883 9.126 -0.286 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.218 11.266 -0.385 1.00 0.00 C ATOM 0 H LEU A 66 13.743 10.926 3.346 1.00 0.00 H new ATOM 0 HA LEU A 66 13.057 13.033 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.765 10.296 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.527 11.350 0.525 1.00 0.00 H new ATOM 0 HG LEU A 66 14.109 9.958 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.708 8.636 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.404 8.415 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.156 9.480 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.015 10.711 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.555 11.695 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.651 12.066 0.216 1.00 0.00 H new ATOM 931 N THR A 67 10.993 12.843 4.031 1.00 0.00 N ATOM 932 CA THR A 67 10.014 13.747 4.710 1.00 0.00 C ATOM 933 C THR A 67 10.476 15.250 4.749 1.00 0.00 C ATOM 934 O THR A 67 9.706 16.114 4.327 1.00 0.00 O ATOM 935 CB THR A 67 9.658 13.184 6.123 1.00 0.00 C ATOM 936 OG1 THR A 67 9.182 11.846 6.040 1.00 0.00 O ATOM 937 CG2 THR A 67 8.546 13.951 6.849 1.00 0.00 C ATOM 0 H THR A 67 11.379 12.124 4.643 1.00 0.00 H new ATOM 0 HA THR A 67 9.104 13.759 4.110 1.00 0.00 H new ATOM 0 HB THR A 67 10.594 13.274 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.881 11.231 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.363 13.493 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.850 14.988 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.633 13.917 6.255 1.00 0.00 H new ATOM 945 N ASN A 68 11.696 15.567 5.234 1.00 0.00 N ATOM 946 CA ASN A 68 12.309 16.917 5.066 1.00 0.00 C ATOM 947 C ASN A 68 13.878 16.772 5.049 1.00 0.00 C ATOM 948 O ASN A 68 14.441 16.437 6.100 1.00 0.00 O ATOM 949 CB ASN A 68 11.799 17.893 6.164 1.00 0.00 C ATOM 950 CG ASN A 68 12.189 19.365 5.941 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.340 19.716 5.697 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.262 20.283 6.044 1.00 0.00 N ATOM 0 H ASN A 68 12.283 14.909 5.747 1.00 0.00 H new ATOM 0 HA ASN A 68 12.006 17.352 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.713 17.822 6.219 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.188 17.569 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.503 21.267 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.299 20.015 6.246 1.00 0.00 H new ATOM 959 N PRO A 69 14.633 17.030 3.938 1.00 0.00 N ATOM 960 CA PRO A 69 16.104 16.781 3.902 1.00 0.00 C ATOM 961 C PRO A 69 17.012 17.807 4.647 1.00 0.00 C ATOM 962 O PRO A 69 17.881 17.400 5.423 1.00 0.00 O ATOM 963 CB PRO A 69 16.372 16.657 2.393 1.00 0.00 C ATOM 964 CG PRO A 69 15.294 17.497 1.712 1.00 0.00 C ATOM 965 CD PRO A 69 14.065 17.364 2.614 1.00 0.00 C ATOM 0 HA PRO A 69 16.377 15.894 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.369 17.020 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.320 15.617 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.604 18.538 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.087 17.134 0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.491 18.290 2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.391 16.584 2.260 1.00 0.00 H new ATOM 973 N LYS A 70 16.799 19.115 4.430 1.00 0.00 N ATOM 974 CA LYS A 70 17.510 20.203 5.167 1.00 0.00 C ATOM 975 C LYS A 70 17.191 20.343 6.698 1.00 0.00 C ATOM 976 O LYS A 70 18.064 20.799 7.440 1.00 0.00 O ATOM 977 CB LYS A 70 17.315 21.540 4.398 1.00 0.00 C ATOM 978 CG LYS A 70 18.082 21.638 3.055 1.00 0.00 C ATOM 979 CD LYS A 70 17.808 22.956 2.305 1.00 0.00 C ATOM 980 CE LYS A 70 18.672 23.089 1.041 1.00 0.00 C ATOM 981 NZ LYS A 70 18.317 24.316 0.301 1.00 0.00 N ATOM 0 H LYS A 70 16.131 19.461 3.741 1.00 0.00 H new ATOM 0 HA LYS A 70 18.561 19.914 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.252 21.678 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.631 22.362 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.152 21.549 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.801 20.798 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.754 23.005 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.004 23.798 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.727 23.114 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.529 22.217 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.909 24.392 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.315 24.277 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.476 25.146 0.908 1.00 0.00 H new ATOM 994 N ALA A 71 16.009 19.929 7.198 1.00 0.00 N ATOM 995 CA ALA A 71 15.804 19.664 8.650 1.00 0.00 C ATOM 996 C ALA A 71 16.598 18.447 9.244 1.00 0.00 C ATOM 997 O ALA A 71 17.148 18.569 10.341 1.00 0.00 O ATOM 998 CB ALA A 71 14.290 19.521 8.882 1.00 0.00 C ATOM 0 H ALA A 71 15.180 19.769 6.626 1.00 0.00 H new ATOM 0 HA ALA A 71 16.222 20.510 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.101 19.326 9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.788 20.443 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.907 18.693 8.285 1.00 0.00 H new ATOM 1004 N VAL A 72 16.672 17.296 8.541 1.00 0.00 N ATOM 1005 CA VAL A 72 17.486 16.115 8.980 1.00 0.00 C ATOM 1006 C VAL A 72 19.030 16.370 8.865 1.00 0.00 C ATOM 1007 O VAL A 72 19.730 16.264 9.876 1.00 0.00 O ATOM 1008 CB VAL A 72 16.980 14.807 8.267 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.847 13.549 8.527 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.536 14.426 8.667 1.00 0.00 C ATOM 0 H VAL A 72 16.179 17.148 7.660 1.00 0.00 H new ATOM 0 HA VAL A 72 17.330 15.961 10.048 1.00 0.00 H new ATOM 0 HB VAL A 72 17.043 15.079 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.421 12.698 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.862 13.727 8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.868 13.336 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.242 13.516 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.489 14.258 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.858 15.235 8.397 1.00 0.00 H new ATOM 1020 N VAL A 73 19.565 16.686 7.668 1.00 0.00 N ATOM 1021 CA VAL A 73 20.995 17.085 7.507 1.00 0.00 C ATOM 1022 C VAL A 73 21.023 18.641 7.370 1.00 0.00 C ATOM 1023 O VAL A 73 20.784 19.188 6.286 1.00 0.00 O ATOM 1024 CB VAL A 73 21.685 16.338 6.314 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.170 16.739 6.155 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.653 14.794 6.419 1.00 0.00 C ATOM 0 H VAL A 73 19.037 16.675 6.795 1.00 0.00 H new ATOM 0 HA VAL A 73 21.581 16.789 8.377 1.00 0.00 H new ATOM 0 HB VAL A 73 21.093 16.648 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.606 16.196 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.240 17.811 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.713 16.493 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.152 14.360 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.166 14.480 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.618 14.453 6.450 1.00 0.00 H new ATOM 1036 N LYS A 74 21.342 19.355 8.467 1.00 0.00 N ATOM 1037 CA LYS A 74 21.341 20.845 8.480 1.00 0.00 C ATOM 1038 C LYS A 74 22.582 21.432 7.727 1.00 0.00 C ATOM 1039 O LYS A 74 23.695 21.475 8.256 1.00 0.00 O ATOM 1040 CB LYS A 74 21.198 21.313 9.955 1.00 0.00 C ATOM 1041 CG LYS A 74 20.893 22.817 10.157 1.00 0.00 C ATOM 1042 CD LYS A 74 19.472 23.244 9.716 1.00 0.00 C ATOM 1043 CE LYS A 74 19.148 24.728 9.968 1.00 0.00 C ATOM 1044 NZ LYS A 74 19.872 25.618 9.033 1.00 0.00 N ATOM 0 H LYS A 74 21.604 18.932 9.358 1.00 0.00 H new ATOM 0 HA LYS A 74 20.491 21.238 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.403 20.734 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.121 21.074 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.023 23.064 11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.625 23.402 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.356 23.035 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.741 22.630 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.075 24.888 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.411 24.988 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.627 26.608 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.897 25.484 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.602 25.388 8.055 1.00 0.00 H new ATOM 1057 N GLY A 75 22.366 21.833 6.463 1.00 0.00 N ATOM 1058 CA GLY A 75 23.468 22.134 5.503 1.00 0.00 C ATOM 1059 C GLY A 75 23.746 21.134 4.349 1.00 0.00 C ATOM 1060 O GLY A 75 24.816 21.215 3.736 1.00 0.00 O ATOM 0 H GLY A 75 21.434 21.960 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.260 23.106 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.388 22.239 6.078 1.00 0.00 H new ATOM 1064 N THR A 76 22.811 20.234 3.991 1.00 0.00 N ATOM 1065 CA THR A 76 22.850 19.508 2.689 1.00 0.00 C ATOM 1066 C THR A 76 22.550 20.454 1.482 1.00 0.00 C ATOM 1067 O THR A 76 21.622 21.267 1.522 1.00 0.00 O ATOM 1068 CB THR A 76 21.924 18.250 2.708 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.078 17.500 1.507 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.412 18.490 2.860 1.00 0.00 C ATOM 0 H THR A 76 22.016 19.986 4.579 1.00 0.00 H new ATOM 0 HA THR A 76 23.869 19.147 2.547 1.00 0.00 H new ATOM 0 HB THR A 76 22.259 17.733 3.607 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.493 16.714 1.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.890 17.533 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.218 19.007 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.055 19.100 2.030 1.00 0.00 H new ATOM 1078 N LYS A 77 23.302 20.297 0.381 1.00 0.00 N ATOM 1079 CA LYS A 77 22.977 20.986 -0.909 1.00 0.00 C ATOM 1080 C LYS A 77 21.751 20.436 -1.738 1.00 0.00 C ATOM 1081 O LYS A 77 21.519 20.895 -2.860 1.00 0.00 O ATOM 1082 CB LYS A 77 24.291 21.122 -1.732 1.00 0.00 C ATOM 1083 CG LYS A 77 24.864 19.823 -2.343 1.00 0.00 C ATOM 1084 CD LYS A 77 26.144 20.041 -3.169 1.00 0.00 C ATOM 1085 CE LYS A 77 26.519 18.775 -3.952 1.00 0.00 C ATOM 1086 NZ LYS A 77 27.802 18.952 -4.657 1.00 0.00 N ATOM 0 H LYS A 77 24.134 19.708 0.343 1.00 0.00 H new ATOM 0 HA LYS A 77 22.588 21.970 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.114 21.830 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 77 25.053 21.560 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.076 19.117 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.106 19.365 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.997 20.870 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.964 20.320 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.589 17.928 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 77 25.734 18.541 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.716 18.592 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.048 19.962 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.548 18.426 -4.158 1.00 0.00 H new ATOM 1099 N MET A 78 20.940 19.505 -1.193 1.00 0.00 N ATOM 1100 CA MET A 78 19.703 19.010 -1.842 1.00 0.00 C ATOM 1101 C MET A 78 18.520 20.019 -1.682 1.00 0.00 C ATOM 1102 O MET A 78 17.820 20.030 -0.663 1.00 0.00 O ATOM 1103 CB MET A 78 19.411 17.595 -1.270 1.00 0.00 C ATOM 1104 CG MET A 78 18.132 16.956 -1.843 1.00 0.00 C ATOM 1105 SD MET A 78 18.268 15.136 -1.998 1.00 0.00 S ATOM 1106 CE MET A 78 16.739 14.762 -1.063 1.00 0.00 C ATOM 0 H MET A 78 21.123 19.073 -0.288 1.00 0.00 H new ATOM 0 HA MET A 78 19.834 18.928 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.259 16.944 -1.481 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.321 17.661 -0.186 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.287 17.201 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.922 17.386 -2.822 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.697 13.694 -0.847 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.738 15.322 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.871 15.047 -1.657 1.00 0.00 H new ATOM 1116 N ALA A 79 18.269 20.825 -2.731 1.00 0.00 N ATOM 1117 CA ALA A 79 17.118 21.767 -2.764 1.00 0.00 C ATOM 1118 C ALA A 79 15.745 21.075 -3.082 1.00 0.00 C ATOM 1119 O ALA A 79 15.172 21.206 -4.167 1.00 0.00 O ATOM 1120 CB ALA A 79 17.513 22.877 -3.758 1.00 0.00 C ATOM 0 H ALA A 79 18.846 20.848 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 79 16.932 22.190 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.706 23.606 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.419 23.372 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.694 22.439 -4.740 1.00 0.00 H new ATOM 1126 N PHE A 80 15.225 20.339 -2.088 1.00 0.00 N ATOM 1127 CA PHE A 80 13.937 19.604 -2.178 1.00 0.00 C ATOM 1128 C PHE A 80 13.139 19.839 -0.857 1.00 0.00 C ATOM 1129 O PHE A 80 13.663 19.644 0.244 1.00 0.00 O ATOM 1130 CB PHE A 80 14.252 18.104 -2.459 1.00 0.00 C ATOM 1131 CG PHE A 80 13.029 17.193 -2.669 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.283 17.272 -3.850 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.628 16.304 -1.665 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.143 16.490 -4.016 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.487 15.523 -1.832 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.740 15.624 -3.003 1.00 0.00 C ATOM 0 H PHE A 80 15.686 20.231 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 80 13.310 19.961 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.883 18.044 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.835 17.712 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.593 17.943 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.206 16.223 -0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.572 16.555 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.182 14.839 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.847 15.030 -3.126 1.00 0.00 H new ATOM 1146 N ALA A 81 11.855 20.228 -0.958 1.00 0.00 N ATOM 1147 CA ALA A 81 10.990 20.438 0.237 1.00 0.00 C ATOM 1148 C ALA A 81 10.623 19.146 1.041 1.00 0.00 C ATOM 1149 O ALA A 81 10.865 19.101 2.252 1.00 0.00 O ATOM 1150 CB ALA A 81 9.758 21.242 -0.227 1.00 0.00 C ATOM 0 H ALA A 81 11.387 20.405 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 81 11.560 20.998 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.097 21.417 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.081 22.198 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.224 20.679 -0.993 1.00 0.00 H new ATOM 1156 N GLY A 82 10.055 18.113 0.391 1.00 0.00 N ATOM 1157 CA GLY A 82 9.686 16.851 1.077 1.00 0.00 C ATOM 1158 C GLY A 82 8.512 16.064 0.456 1.00 0.00 C ATOM 1159 O GLY A 82 7.650 16.600 -0.245 1.00 0.00 O ATOM 0 H GLY A 82 9.840 18.123 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.562 16.202 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.435 17.083 2.112 1.00 0.00 H new ATOM 1163 N LEU A 83 8.458 14.772 0.798 1.00 0.00 N ATOM 1164 CA LEU A 83 7.295 13.889 0.521 1.00 0.00 C ATOM 1165 C LEU A 83 6.466 13.705 1.847 1.00 0.00 C ATOM 1166 O LEU A 83 6.857 12.866 2.672 1.00 0.00 O ATOM 1167 CB LEU A 83 7.792 12.523 -0.038 1.00 0.00 C ATOM 1168 CG LEU A 83 8.477 12.490 -1.429 1.00 0.00 C ATOM 1169 CD1 LEU A 83 8.971 11.066 -1.740 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.557 12.961 -2.568 1.00 0.00 C ATOM 0 H LEU A 83 9.221 14.296 1.279 1.00 0.00 H new ATOM 0 HA LEU A 83 6.648 14.339 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.493 12.106 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.935 11.850 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 83 9.314 13.186 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.451 11.053 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.688 10.756 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.124 10.379 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.096 12.914 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.680 12.316 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.242 13.988 -2.380 1.00 0.00 H new ATOM 1182 N PRO A 84 5.332 14.425 2.115 1.00 0.00 N ATOM 1183 CA PRO A 84 4.558 14.266 3.385 1.00 0.00 C ATOM 1184 C PRO A 84 3.776 12.925 3.596 1.00 0.00 C ATOM 1185 O PRO A 84 3.708 12.438 4.729 1.00 0.00 O ATOM 1186 CB PRO A 84 3.666 15.525 3.383 1.00 0.00 C ATOM 1187 CG PRO A 84 3.496 15.902 1.910 1.00 0.00 C ATOM 1188 CD PRO A 84 4.833 15.531 1.268 1.00 0.00 C ATOM 0 HA PRO A 84 5.228 14.187 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.702 15.324 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.130 16.336 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.670 15.357 1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.280 16.964 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.707 15.217 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.523 16.375 1.263 1.00 0.00 H new ATOM 1196 N LYS A 85 3.234 12.307 2.532 1.00 0.00 N ATOM 1197 CA LYS A 85 2.546 10.990 2.611 1.00 0.00 C ATOM 1198 C LYS A 85 3.539 9.785 2.720 1.00 0.00 C ATOM 1199 O LYS A 85 4.508 9.674 1.959 1.00 0.00 O ATOM 1200 CB LYS A 85 1.646 10.807 1.357 1.00 0.00 C ATOM 1201 CG LYS A 85 0.396 11.713 1.280 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.465 11.399 0.040 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.713 12.291 -0.040 1.00 0.00 C ATOM 1204 NZ LYS A 85 -2.514 11.928 -1.225 1.00 0.00 N ATOM 0 H LYS A 85 3.256 12.699 1.591 1.00 0.00 H new ATOM 0 HA LYS A 85 1.949 10.993 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.254 10.984 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.320 9.768 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.203 11.582 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.706 12.758 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.134 11.534 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.769 10.353 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.312 12.176 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.419 13.339 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.357 12.535 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.943 12.060 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.808 10.933 -1.154 1.00 0.00 H new ATOM 1217 N ILE A 86 3.233 8.831 3.621 1.00 0.00 N ATOM 1218 CA ILE A 86 3.916 7.499 3.669 1.00 0.00 C ATOM 1219 C ILE A 86 3.857 6.648 2.355 1.00 0.00 C ATOM 1220 O ILE A 86 4.891 6.096 1.980 1.00 0.00 O ATOM 1221 CB ILE A 86 3.500 6.702 4.959 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.382 5.433 5.157 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.992 6.333 5.024 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.390 4.823 6.567 1.00 0.00 C ATOM 0 H ILE A 86 2.514 8.948 4.335 1.00 0.00 H new ATOM 0 HA ILE A 86 4.980 7.725 3.740 1.00 0.00 H new ATOM 0 HB ILE A 86 3.677 7.392 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.045 4.669 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.408 5.684 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.791 5.785 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.393 7.244 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.732 5.711 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.038 3.947 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.761 5.559 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.377 4.529 6.842 1.00 0.00 H new ATOM 1236 N GLU A 87 2.709 6.552 1.651 1.00 0.00 N ATOM 1237 CA GLU A 87 2.621 5.843 0.338 1.00 0.00 C ATOM 1238 C GLU A 87 3.627 6.314 -0.765 1.00 0.00 C ATOM 1239 O GLU A 87 4.308 5.471 -1.344 1.00 0.00 O ATOM 1240 CB GLU A 87 1.143 5.769 -0.136 1.00 0.00 C ATOM 1241 CG GLU A 87 0.465 7.096 -0.576 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.975 6.926 -1.053 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.281 6.452 -2.142 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.881 7.371 -0.139 1.00 0.00 O ATOM 0 H GLU A 87 1.825 6.954 1.963 1.00 0.00 H new ATOM 0 HA GLU A 87 2.970 4.827 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.092 5.072 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.551 5.341 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.480 7.795 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.052 7.544 -1.377 1.00 0.00 H new ATOM 1251 N ASP A 88 3.803 7.630 -0.993 1.00 0.00 N ATOM 1252 CA ASP A 88 4.893 8.169 -1.868 1.00 0.00 C ATOM 1253 C ASP A 88 6.348 7.762 -1.454 1.00 0.00 C ATOM 1254 O ASP A 88 7.123 7.336 -2.314 1.00 0.00 O ATOM 1255 CB ASP A 88 4.769 9.715 -1.967 1.00 0.00 C ATOM 1256 CG ASP A 88 3.517 10.239 -2.671 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.432 10.377 -2.117 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.744 10.539 -3.979 1.00 0.00 O ATOM 0 H ASP A 88 3.208 8.352 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 88 4.742 7.703 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.795 10.128 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.645 10.098 -2.491 1.00 0.00 H new ATOM 1263 N ARG A 89 6.704 7.856 -0.158 1.00 0.00 N ATOM 1264 CA ARG A 89 8.006 7.355 0.371 1.00 0.00 C ATOM 1265 C ARG A 89 8.170 5.796 0.311 1.00 0.00 C ATOM 1266 O ARG A 89 9.157 5.317 -0.247 1.00 0.00 O ATOM 1267 CB ARG A 89 8.248 7.892 1.810 1.00 0.00 C ATOM 1268 CG ARG A 89 8.150 9.428 2.013 1.00 0.00 C ATOM 1269 CD ARG A 89 8.597 9.959 3.389 1.00 0.00 C ATOM 1270 NE ARG A 89 7.824 9.352 4.512 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.782 9.898 5.132 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.291 11.074 4.844 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.217 9.207 6.077 1.00 0.00 N ATOM 0 H ARG A 89 6.108 8.277 0.555 1.00 0.00 H new ATOM 0 HA ARG A 89 8.774 7.747 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.528 7.415 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.239 7.570 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.752 9.915 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.116 9.731 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.658 9.752 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.478 11.042 3.413 1.00 0.00 H new ATOM 0 HE ARG A 89 8.123 8.432 4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.711 11.634 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.488 11.432 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.576 8.283 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.415 9.589 6.578 1.00 0.00 H new ATOM 1287 N ALA A 90 7.212 5.013 0.847 1.00 0.00 N ATOM 1288 CA ALA A 90 7.194 3.529 0.742 1.00 0.00 C ATOM 1289 C ALA A 90 7.175 2.923 -0.699 1.00 0.00 C ATOM 1290 O ALA A 90 7.979 2.032 -0.985 1.00 0.00 O ATOM 1291 CB ALA A 90 5.983 3.066 1.576 1.00 0.00 C ATOM 0 H ALA A 90 6.421 5.389 1.370 1.00 0.00 H new ATOM 0 HA ALA A 90 8.146 3.154 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.911 1.979 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.108 3.388 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.072 3.503 1.168 1.00 0.00 H new ATOM 1297 N ASN A 91 6.317 3.423 -1.613 1.00 0.00 N ATOM 1298 CA ASN A 91 6.368 3.074 -3.064 1.00 0.00 C ATOM 1299 C ASN A 91 7.742 3.382 -3.756 1.00 0.00 C ATOM 1300 O ASN A 91 8.313 2.507 -4.414 1.00 0.00 O ATOM 1301 CB ASN A 91 5.196 3.778 -3.813 1.00 0.00 C ATOM 1302 CG ASN A 91 3.758 3.369 -3.457 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.485 2.425 -2.728 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.776 4.074 -3.961 1.00 0.00 N ATOM 0 H ASN A 91 5.571 4.077 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 91 6.258 1.991 -3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.289 4.851 -3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.335 3.611 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.810 3.831 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.978 4.866 -4.572 1.00 0.00 H new ATOM 1311 N LEU A 92 8.287 4.603 -3.574 1.00 0.00 N ATOM 1312 CA LEU A 92 9.668 4.958 -3.998 1.00 0.00 C ATOM 1313 C LEU A 92 10.826 4.111 -3.371 1.00 0.00 C ATOM 1314 O LEU A 92 11.694 3.651 -4.116 1.00 0.00 O ATOM 1315 CB LEU A 92 9.814 6.487 -3.779 1.00 0.00 C ATOM 1316 CG LEU A 92 11.154 7.141 -4.192 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.523 6.899 -5.661 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.087 8.651 -3.941 1.00 0.00 C ATOM 0 H LEU A 92 7.787 5.373 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 92 9.788 4.696 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.014 6.984 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.651 6.693 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 92 11.927 6.673 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.473 7.385 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.613 5.828 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.746 7.312 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.032 9.111 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.277 9.082 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.905 8.836 -2.882 1.00 0.00 H new ATOM 1330 N ILE A 93 10.843 3.866 -2.047 1.00 0.00 N ATOM 1331 CA ILE A 93 11.823 2.934 -1.400 1.00 0.00 C ATOM 1332 C ILE A 93 11.695 1.449 -1.918 1.00 0.00 C ATOM 1333 O ILE A 93 12.735 0.848 -2.189 1.00 0.00 O ATOM 1334 CB ILE A 93 11.816 3.123 0.163 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.244 4.561 0.610 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.719 2.102 0.905 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.826 4.962 2.036 1.00 0.00 C ATOM 0 H ILE A 93 10.191 4.296 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 93 12.830 3.206 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 93 10.776 2.953 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.328 4.639 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.821 5.281 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.670 2.286 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.373 1.090 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.749 2.212 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.171 5.975 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.740 4.924 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.271 4.272 2.753 1.00 0.00 H new ATOM 1349 N ALA A 94 10.488 0.878 -2.143 1.00 0.00 N ATOM 1350 CA ALA A 94 10.323 -0.365 -2.958 1.00 0.00 C ATOM 1351 C ALA A 94 10.918 -0.344 -4.409 1.00 0.00 C ATOM 1352 O ALA A 94 11.604 -1.295 -4.795 1.00 0.00 O ATOM 1353 CB ALA A 94 8.828 -0.736 -2.974 1.00 0.00 C ATOM 0 H ALA A 94 9.613 1.251 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 94 10.929 -1.126 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.684 -1.641 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.485 -0.909 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.255 0.080 -3.416 1.00 0.00 H new ATOM 1359 N TYR A 95 10.711 0.735 -5.194 1.00 0.00 N ATOM 1360 CA TYR A 95 11.460 0.966 -6.466 1.00 0.00 C ATOM 1361 C TYR A 95 13.019 1.048 -6.326 1.00 0.00 C ATOM 1362 O TYR A 95 13.722 0.387 -7.091 1.00 0.00 O ATOM 1363 CB TYR A 95 10.835 2.201 -7.174 1.00 0.00 C ATOM 1364 CG TYR A 95 11.416 2.539 -8.558 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.241 1.660 -9.632 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.151 3.715 -8.746 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.799 1.949 -10.873 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.696 4.010 -9.994 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.516 3.126 -11.057 1.00 0.00 C ATOM 1370 OH TYR A 95 13.016 3.412 -12.297 1.00 0.00 O ATOM 0 H TYR A 95 10.033 1.465 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 95 11.343 0.079 -7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.763 2.032 -7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.958 3.069 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.670 0.753 -9.497 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.296 4.396 -7.921 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.675 1.259 -11.694 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.257 4.922 -10.138 1.00 0.00 H new ATOM 0 HH TYR A 95 13.053 4.384 -12.419 1.00 0.00 H new ATOM 1380 N LEU A 96 13.556 1.822 -5.371 1.00 0.00 N ATOM 1381 CA LEU A 96 15.023 1.888 -5.100 1.00 0.00 C ATOM 1382 C LEU A 96 15.666 0.626 -4.413 1.00 0.00 C ATOM 1383 O LEU A 96 16.862 0.394 -4.594 1.00 0.00 O ATOM 1384 CB LEU A 96 15.303 3.209 -4.333 1.00 0.00 C ATOM 1385 CG LEU A 96 14.888 4.549 -5.017 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.146 5.736 -4.077 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.572 4.784 -6.378 1.00 0.00 C ATOM 0 H LEU A 96 13.000 2.421 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 96 15.530 1.882 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.794 3.152 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.372 3.256 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 96 13.820 4.468 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.851 6.662 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.564 5.610 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.206 5.780 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.236 5.734 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.653 4.809 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.311 3.976 -7.061 1.00 0.00 H new ATOM 1399 N GLU A 97 14.899 -0.217 -3.692 1.00 0.00 N ATOM 1400 CA GLU A 97 15.248 -1.654 -3.449 1.00 0.00 C ATOM 1401 C GLU A 97 15.335 -2.545 -4.740 1.00 0.00 C ATOM 1402 O GLU A 97 16.273 -3.335 -4.863 1.00 0.00 O ATOM 1403 CB GLU A 97 14.244 -2.272 -2.433 1.00 0.00 C ATOM 1404 CG GLU A 97 14.389 -1.781 -0.973 1.00 0.00 C ATOM 1405 CD GLU A 97 13.355 -2.355 -0.010 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.155 -1.717 -0.092 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.581 -3.279 0.765 1.00 0.00 O ATOM 0 H GLU A 97 14.021 0.067 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 97 16.259 -1.647 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.231 -2.056 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.360 -3.356 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.385 -2.038 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.316 -0.694 -0.959 1.00 0.00 H new ATOM 1414 N GLY A 98 14.393 -2.423 -5.700 1.00 0.00 N ATOM 1415 CA GLY A 98 14.557 -3.002 -7.066 1.00 0.00 C ATOM 1416 C GLY A 98 15.706 -2.456 -7.958 1.00 0.00 C ATOM 1417 O GLY A 98 16.382 -3.240 -8.625 1.00 0.00 O ATOM 0 H GLY A 98 13.510 -1.931 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.701 -4.077 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.620 -2.858 -7.604 1.00 0.00 H new ATOM 1421 N GLN A 99 15.931 -1.132 -7.975 1.00 0.00 N ATOM 1422 CA GLN A 99 17.118 -0.510 -8.626 1.00 0.00 C ATOM 1423 C GLN A 99 18.379 -0.577 -7.697 1.00 0.00 C ATOM 1424 O GLN A 99 18.702 0.385 -6.989 1.00 0.00 O ATOM 1425 CB GLN A 99 16.772 0.955 -9.037 1.00 0.00 C ATOM 1426 CG GLN A 99 15.601 1.192 -10.029 1.00 0.00 C ATOM 1427 CD GLN A 99 15.821 0.666 -11.449 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.420 1.314 -12.300 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.345 -0.517 -11.755 1.00 0.00 N ATOM 0 H GLN A 99 15.302 -0.456 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 99 17.369 -1.072 -9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.552 1.511 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.668 1.397 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.704 0.725 -9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.406 2.263 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.845 -1.063 -11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.474 -0.891 -12.695 1.00 0.00 H new ATOM 1438 N GLN A 100 19.098 -1.715 -7.707 1.00 0.00 N ATOM 1439 CA GLN A 100 20.385 -1.867 -6.978 1.00 0.00 C ATOM 1440 C GLN A 100 21.421 -2.562 -7.894 1.00 0.00 C ATOM 1441 O GLN A 100 21.410 -3.808 -8.018 1.00 0.00 O ATOM 1442 CB GLN A 100 20.217 -2.523 -5.576 1.00 0.00 C ATOM 1443 CG GLN A 100 19.387 -1.691 -4.554 1.00 0.00 C ATOM 1444 CD GLN A 100 19.504 -2.053 -3.071 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.584 -2.561 -2.440 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.604 -1.721 -2.438 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.262 -1.846 -8.492 1.00 0.00 O ATOM 0 H GLN A 100 18.812 -2.552 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 100 20.777 -0.877 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.741 -3.495 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.206 -2.704 -5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.671 -0.645 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.337 -1.768 -4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.378 -1.297 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.685 -1.887 -1.435 1.00 0.00 H new