USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 159:sc= -8.43! USER MOD Set 1.2: A 77 TYR OH : rot 21:sc= -6.18! USER MOD Single : A 1 ALA N :NH3+ 141:sc= 1.22 (180deg=0.181) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 92:sc= -4.79! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.607 K(o=-0.61,f=-2.4) USER MOD Single : A 22 SER OG : rot 176:sc= -0.25! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.01! C(o=-7!,f=-7.9!) USER MOD Single : A 35 HIS : no HD1:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 37 THR OG1 : rot 21:sc= 1.31 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 57 MET CE :methyl 173:sc= -2.26! (180deg=-2.42!) USER MOD Single : A 60 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.6!) USER MOD Single : A 64 THR OG1 : rot 20:sc= -1.83! USER MOD Single : A 65 TYR OH : rot 101:sc= 0.592 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.9!) USER MOD Single : A 82 THR OG1 : rot 15:sc= -7.27! USER MOD Single : A 87 ASN : amide:sc= -2.53 K(o=-2.5,f=-4.1!) USER MOD Single : A 89 ASN : amide:sc= -1.85! C(o=-1.9!,f=-2.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.412 -8.779 -0.545 1.00 0.00 N ATOM 2 CA ALA A 1 -17.371 -9.068 -1.574 1.00 0.00 C ATOM 3 C ALA A 1 -15.987 -9.031 -0.928 1.00 0.00 C ATOM 4 O ALA A 1 -15.413 -7.981 -0.717 1.00 0.00 O ATOM 5 CB ALA A 1 -17.444 -8.017 -2.683 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.155 -8.182 -0.961 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.831 -9.672 -0.214 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.977 -8.282 0.258 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.546 -10.057 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.684 -8.228 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.430 -8.045 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.270 -7.028 -2.259 1.00 0.00 H new ATOM 13 N ASP A 2 -15.443 -10.173 -0.624 1.00 0.00 N ATOM 14 CA ASP A 2 -14.095 -10.213 -0.003 1.00 0.00 C ATOM 15 C ASP A 2 -14.011 -9.219 1.161 1.00 0.00 C ATOM 16 O ASP A 2 -13.142 -8.370 1.191 1.00 0.00 O ATOM 17 CB ASP A 2 -13.063 -9.855 -1.066 1.00 0.00 C ATOM 18 CG ASP A 2 -11.700 -9.735 -0.403 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.616 -10.027 0.772 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.761 -9.357 -1.083 1.00 0.00 O ATOM 0 H ASP A 2 -15.876 -11.083 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.902 -11.212 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.039 -10.620 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.331 -8.917 -1.551 1.00 0.00 H new ATOM 25 N PRO A 3 -14.893 -9.376 2.110 1.00 0.00 N ATOM 26 CA PRO A 3 -14.900 -8.532 3.311 1.00 0.00 C ATOM 27 C PRO A 3 -13.873 -9.094 4.299 1.00 0.00 C ATOM 28 O PRO A 3 -13.759 -8.643 5.422 1.00 0.00 O ATOM 29 CB PRO A 3 -16.315 -8.706 3.864 1.00 0.00 C ATOM 30 CG PRO A 3 -16.834 -10.055 3.307 1.00 0.00 C ATOM 31 CD PRO A 3 -15.970 -10.388 2.077 1.00 0.00 C ATOM 0 HA PRO A 3 -14.652 -7.487 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.309 -8.711 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.958 -7.883 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.755 -10.840 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.886 -9.981 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.568 -11.400 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.548 -10.326 1.155 1.00 0.00 H new ATOM 39 N GLU A 4 -13.157 -10.117 3.894 1.00 0.00 N ATOM 40 CA GLU A 4 -12.174 -10.755 4.812 1.00 0.00 C ATOM 41 C GLU A 4 -10.982 -11.336 4.042 1.00 0.00 C ATOM 42 O GLU A 4 -10.231 -12.133 4.568 1.00 0.00 O ATOM 43 CB GLU A 4 -12.881 -11.902 5.497 1.00 0.00 C ATOM 44 CG GLU A 4 -12.628 -11.844 7.006 1.00 0.00 C ATOM 45 CD GLU A 4 -13.094 -13.149 7.654 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.279 -13.266 7.919 1.00 0.00 O ATOM 47 OE2 GLU A 4 -12.257 -14.010 7.873 1.00 0.00 O ATOM 0 H GLU A 4 -13.215 -10.534 2.965 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.804 -10.007 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.951 -11.852 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.525 -12.851 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.567 -11.687 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.161 -10.999 7.442 1.00 0.00 H new ATOM 54 N LYS A 5 -10.797 -10.962 2.814 1.00 0.00 N ATOM 55 CA LYS A 5 -9.654 -11.511 2.042 1.00 0.00 C ATOM 56 C LYS A 5 -9.154 -10.418 1.111 1.00 0.00 C ATOM 57 O LYS A 5 -8.819 -10.648 -0.035 1.00 0.00 O ATOM 58 CB LYS A 5 -10.111 -12.730 1.236 1.00 0.00 C ATOM 59 CG LYS A 5 -10.566 -13.834 2.195 1.00 0.00 C ATOM 60 CD LYS A 5 -10.285 -15.203 1.571 1.00 0.00 C ATOM 61 CE LYS A 5 -10.691 -16.305 2.550 1.00 0.00 C ATOM 62 NZ LYS A 5 -9.772 -17.469 2.397 1.00 0.00 N ATOM 0 H LYS A 5 -11.387 -10.300 2.310 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.854 -11.828 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.928 -12.453 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.296 -13.091 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.042 -13.742 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.630 -13.731 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.838 -15.309 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.227 -15.292 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.653 -15.930 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.720 -16.613 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.048 -18.219 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.830 -17.831 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.796 -17.170 2.597 1.00 0.00 H new ATOM 76 N SER A 6 -9.121 -9.216 1.610 1.00 0.00 N ATOM 77 CA SER A 6 -8.655 -8.076 0.773 1.00 0.00 C ATOM 78 C SER A 6 -7.375 -7.516 1.380 1.00 0.00 C ATOM 79 O SER A 6 -7.368 -7.020 2.486 1.00 0.00 O ATOM 80 CB SER A 6 -9.715 -6.973 0.756 1.00 0.00 C ATOM 81 OG SER A 6 -11.008 -7.554 0.689 1.00 0.00 O ATOM 0 H SER A 6 -9.396 -8.973 2.561 1.00 0.00 H new ATOM 0 HA SER A 6 -8.477 -8.422 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.628 -6.358 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.556 -6.316 -0.099 1.00 0.00 H new ATOM 0 HG SER A 6 -11.359 -7.676 1.596 1.00 0.00 H new ATOM 87 N TYR A 7 -6.283 -7.607 0.675 1.00 0.00 N ATOM 88 CA TYR A 7 -5.009 -7.088 1.248 1.00 0.00 C ATOM 89 C TYR A 7 -4.198 -6.330 0.195 1.00 0.00 C ATOM 90 O TYR A 7 -4.136 -6.712 -0.957 1.00 0.00 O ATOM 91 CB TYR A 7 -4.177 -8.260 1.771 1.00 0.00 C ATOM 92 CG TYR A 7 -4.213 -9.387 0.766 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.374 -10.152 0.615 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.083 -9.665 -0.013 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.408 -11.196 -0.317 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.117 -10.709 -0.946 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.280 -11.475 -1.097 1.00 0.00 C ATOM 98 OH TYR A 7 -4.312 -12.505 -2.015 1.00 0.00 O ATOM 0 H TYR A 7 -6.216 -8.012 -0.259 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.252 -6.401 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.148 -7.943 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.569 -8.600 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.244 -9.937 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.186 -9.075 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.305 -11.786 -0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.247 -10.923 -1.549 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.447 -12.562 -2.473 1.00 0.00 H new ATOM 108 N ALA A 8 -3.554 -5.268 0.601 1.00 0.00 N ATOM 109 CA ALA A 8 -2.711 -4.479 -0.341 1.00 0.00 C ATOM 110 C ALA A 8 -1.296 -4.417 0.224 1.00 0.00 C ATOM 111 O ALA A 8 -1.081 -3.932 1.318 1.00 0.00 O ATOM 112 CB ALA A 8 -3.261 -3.060 -0.478 1.00 0.00 C ATOM 0 H ALA A 8 -3.577 -4.911 1.556 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.713 -4.952 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.637 -2.493 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.281 -3.100 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.258 -2.573 0.497 1.00 0.00 H new ATOM 118 N GLU A 9 -0.323 -4.906 -0.493 1.00 0.00 N ATOM 119 CA GLU A 9 1.064 -4.866 0.046 1.00 0.00 C ATOM 120 C GLU A 9 2.048 -4.523 -1.068 1.00 0.00 C ATOM 121 O GLU A 9 1.886 -4.920 -2.210 1.00 0.00 O ATOM 122 CB GLU A 9 1.425 -6.230 0.643 1.00 0.00 C ATOM 123 CG GLU A 9 0.977 -7.342 -0.307 1.00 0.00 C ATOM 124 CD GLU A 9 1.096 -8.696 0.397 1.00 0.00 C ATOM 125 OE1 GLU A 9 0.966 -8.726 1.610 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.313 -9.681 -0.289 1.00 0.00 O ATOM 0 H GLU A 9 -0.426 -5.326 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 9 1.120 -4.102 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.500 -6.292 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.944 -6.352 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.053 -7.173 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.590 -7.334 -1.208 1.00 0.00 H new ATOM 133 N GLY A 10 3.063 -3.777 -0.744 1.00 0.00 N ATOM 134 CA GLY A 10 4.060 -3.402 -1.773 1.00 0.00 C ATOM 135 C GLY A 10 5.345 -2.917 -1.111 1.00 0.00 C ATOM 136 O GLY A 10 5.403 -2.755 0.093 1.00 0.00 O ATOM 0 H GLY A 10 3.243 -3.411 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.273 -4.259 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.655 -2.619 -2.414 1.00 0.00 H new ATOM 140 N PRO A 11 6.328 -2.646 -1.934 1.00 0.00 N ATOM 141 CA PRO A 11 7.618 -2.107 -1.479 1.00 0.00 C ATOM 142 C PRO A 11 7.464 -0.599 -1.226 1.00 0.00 C ATOM 143 O PRO A 11 8.422 0.107 -0.982 1.00 0.00 O ATOM 144 CB PRO A 11 8.557 -2.375 -2.658 1.00 0.00 C ATOM 145 CG PRO A 11 7.655 -2.522 -3.908 1.00 0.00 C ATOM 146 CD PRO A 11 6.243 -2.864 -3.393 1.00 0.00 C ATOM 0 HA PRO A 11 7.986 -2.551 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.266 -1.557 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.141 -3.280 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.643 -1.599 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.029 -3.307 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.487 -2.224 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.972 -3.894 -3.627 1.00 0.00 H new ATOM 154 N GLY A 12 6.249 -0.112 -1.289 1.00 0.00 N ATOM 155 CA GLY A 12 5.983 1.332 -1.065 1.00 0.00 C ATOM 156 C GLY A 12 5.092 1.477 0.164 1.00 0.00 C ATOM 157 O GLY A 12 4.400 0.562 0.515 1.00 0.00 O ATOM 0 H GLY A 12 5.419 -0.670 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.919 1.871 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.497 1.767 -1.938 1.00 0.00 H new ATOM 161 N LEU A 13 5.108 2.618 0.809 1.00 0.00 N ATOM 162 CA LEU A 13 4.245 2.837 2.020 1.00 0.00 C ATOM 163 C LEU A 13 4.989 2.436 3.287 1.00 0.00 C ATOM 164 O LEU A 13 4.532 2.663 4.388 1.00 0.00 O ATOM 165 CB LEU A 13 2.916 2.078 1.865 1.00 0.00 C ATOM 166 CG LEU A 13 2.833 0.772 2.696 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.670 0.872 3.677 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.573 -0.418 1.766 1.00 0.00 C ATOM 0 H LEU A 13 5.687 3.417 0.548 1.00 0.00 H new ATOM 0 HA LEU A 13 4.011 3.898 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.098 2.736 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.768 1.836 0.812 1.00 0.00 H new ATOM 0 HG LEU A 13 3.773 0.631 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.609 -0.045 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.829 1.719 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.740 1.013 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.515 -1.334 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.632 -0.267 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.386 -0.501 1.045 1.00 0.00 H new ATOM 180 N ASP A 14 6.147 1.872 3.140 1.00 0.00 N ATOM 181 CA ASP A 14 6.941 1.493 4.339 1.00 0.00 C ATOM 182 C ASP A 14 7.395 2.769 5.031 1.00 0.00 C ATOM 183 O ASP A 14 7.789 2.772 6.180 1.00 0.00 O ATOM 184 CB ASP A 14 8.179 0.731 3.909 1.00 0.00 C ATOM 185 CG ASP A 14 7.798 -0.361 2.907 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.234 -0.025 1.878 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.076 -1.516 3.185 1.00 0.00 O ATOM 0 H ASP A 14 6.581 1.655 2.243 1.00 0.00 H new ATOM 0 HA ASP A 14 6.334 0.876 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.899 1.414 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.663 0.286 4.778 1.00 0.00 H new ATOM 192 N GLY A 15 7.341 3.859 4.321 1.00 0.00 N ATOM 193 CA GLY A 15 7.767 5.161 4.911 1.00 0.00 C ATOM 194 C GLY A 15 9.285 5.289 4.884 1.00 0.00 C ATOM 195 O GLY A 15 9.934 5.050 3.885 1.00 0.00 O ATOM 0 H GLY A 15 7.019 3.907 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.317 5.983 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.408 5.236 5.937 1.00 0.00 H new ATOM 199 N GLY A 16 9.844 5.666 5.996 1.00 0.00 N ATOM 200 CA GLY A 16 11.325 5.821 6.092 1.00 0.00 C ATOM 201 C GLY A 16 11.838 6.948 5.198 1.00 0.00 C ATOM 202 O GLY A 16 12.354 7.939 5.676 1.00 0.00 O ATOM 0 H GLY A 16 9.335 5.877 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.603 6.023 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.807 4.885 5.809 1.00 0.00 H new ATOM 206 N GLU A 17 11.747 6.801 3.906 1.00 0.00 N ATOM 207 CA GLU A 17 12.286 7.870 3.022 1.00 0.00 C ATOM 208 C GLU A 17 11.240 8.367 2.027 1.00 0.00 C ATOM 209 O GLU A 17 10.454 7.613 1.489 1.00 0.00 O ATOM 210 CB GLU A 17 13.463 7.317 2.240 1.00 0.00 C ATOM 211 CG GLU A 17 14.660 7.126 3.174 1.00 0.00 C ATOM 212 CD GLU A 17 15.267 5.738 2.953 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.566 4.764 3.171 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.425 5.674 2.572 1.00 0.00 O ATOM 0 H GLU A 17 11.330 6.001 3.430 1.00 0.00 H new ATOM 0 HA GLU A 17 12.586 8.706 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.192 6.366 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.726 7.998 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.408 7.896 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.345 7.236 4.212 1.00 0.00 H new ATOM 221 N CYS A 18 11.245 9.644 1.785 1.00 0.00 N ATOM 222 CA CYS A 18 10.266 10.247 0.817 1.00 0.00 C ATOM 223 C CYS A 18 10.853 10.204 -0.593 1.00 0.00 C ATOM 224 O CYS A 18 10.148 10.341 -1.573 1.00 0.00 O ATOM 225 CB CYS A 18 9.997 11.723 1.149 1.00 0.00 C ATOM 226 SG CYS A 18 8.541 11.880 2.219 1.00 0.00 S ATOM 0 H CYS A 18 11.887 10.310 2.215 1.00 0.00 H new ATOM 0 HA CYS A 18 9.340 9.676 0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.867 12.155 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.841 12.286 0.229 1.00 0.00 H new ATOM 0 HG CYS A 18 8.580 13.021 2.840 1.00 0.00 H new ATOM 232 N PHE A 19 12.141 10.043 -0.702 1.00 0.00 N ATOM 233 CA PHE A 19 12.772 10.027 -2.053 1.00 0.00 C ATOM 234 C PHE A 19 12.769 8.619 -2.622 1.00 0.00 C ATOM 235 O PHE A 19 13.353 8.351 -3.654 1.00 0.00 O ATOM 236 CB PHE A 19 14.191 10.568 -1.958 1.00 0.00 C ATOM 237 CG PHE A 19 14.071 12.051 -1.802 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.696 12.829 -2.899 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.280 12.643 -0.556 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.535 14.205 -2.752 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.109 14.020 -0.408 1.00 0.00 C ATOM 242 CZ PHE A 19 13.738 14.797 -1.505 1.00 0.00 C ATOM 0 H PHE A 19 12.783 9.922 0.081 1.00 0.00 H new ATOM 0 HA PHE A 19 12.197 10.663 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.717 10.130 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.762 10.317 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.531 12.365 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.573 12.039 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.254 14.811 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.264 14.484 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.607 15.863 -1.389 1.00 0.00 H new ATOM 252 N GLN A 20 12.067 7.732 -1.991 1.00 0.00 N ATOM 253 CA GLN A 20 11.967 6.360 -2.527 1.00 0.00 C ATOM 254 C GLN A 20 10.634 6.293 -3.261 1.00 0.00 C ATOM 255 O GLN A 20 9.716 7.013 -2.921 1.00 0.00 O ATOM 256 CB GLN A 20 11.987 5.343 -1.383 1.00 0.00 C ATOM 257 CG GLN A 20 13.380 5.312 -0.748 1.00 0.00 C ATOM 258 CD GLN A 20 14.432 5.061 -1.830 1.00 0.00 C ATOM 259 OE1 GLN A 20 14.231 4.249 -2.713 1.00 0.00 O ATOM 260 NE2 GLN A 20 15.555 5.726 -1.797 1.00 0.00 N ATOM 0 H GLN A 20 11.557 7.900 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 20 12.802 6.128 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.241 5.608 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.725 4.354 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.582 6.257 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.428 4.529 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.723 6.407 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.264 5.565 -2.512 1.00 0.00 H new ATOM 269 N PRO A 21 10.554 5.455 -4.244 1.00 0.00 N ATOM 270 CA PRO A 21 9.324 5.315 -5.027 1.00 0.00 C ATOM 271 C PRO A 21 8.273 4.613 -4.177 1.00 0.00 C ATOM 272 O PRO A 21 8.539 3.591 -3.576 1.00 0.00 O ATOM 273 CB PRO A 21 9.757 4.472 -6.232 1.00 0.00 C ATOM 274 CG PRO A 21 11.044 3.731 -5.801 1.00 0.00 C ATOM 275 CD PRO A 21 11.653 4.560 -4.652 1.00 0.00 C ATOM 0 HA PRO A 21 8.879 6.258 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.976 3.765 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.944 5.103 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.818 2.717 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.743 3.647 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.978 3.924 -3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.525 5.123 -4.984 1.00 0.00 H new ATOM 283 N SER A 22 7.087 5.151 -4.097 1.00 0.00 N ATOM 284 CA SER A 22 6.062 4.493 -3.260 1.00 0.00 C ATOM 285 C SER A 22 5.074 3.787 -4.174 1.00 0.00 C ATOM 286 O SER A 22 4.336 4.411 -4.905 1.00 0.00 O ATOM 287 CB SER A 22 5.345 5.565 -2.472 1.00 0.00 C ATOM 288 OG SER A 22 5.214 5.147 -1.121 1.00 0.00 O ATOM 0 H SER A 22 6.792 6.005 -4.570 1.00 0.00 H new ATOM 0 HA SER A 22 6.514 3.769 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.900 6.502 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.362 5.753 -2.903 1.00 0.00 H new ATOM 0 HG SER A 22 4.802 5.864 -0.595 1.00 0.00 H new ATOM 294 N LYS A 23 5.068 2.484 -4.154 1.00 0.00 N ATOM 295 CA LYS A 23 4.142 1.739 -5.035 1.00 0.00 C ATOM 296 C LYS A 23 3.795 0.388 -4.413 1.00 0.00 C ATOM 297 O LYS A 23 4.649 -0.319 -3.919 1.00 0.00 O ATOM 298 CB LYS A 23 4.825 1.491 -6.371 1.00 0.00 C ATOM 299 CG LYS A 23 5.652 2.715 -6.767 1.00 0.00 C ATOM 300 CD LYS A 23 6.254 2.498 -8.158 1.00 0.00 C ATOM 301 CE LYS A 23 7.020 1.174 -8.185 1.00 0.00 C ATOM 302 NZ LYS A 23 8.238 1.322 -9.030 1.00 0.00 N ATOM 0 H LYS A 23 5.667 1.907 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 23 3.232 2.323 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.468 0.613 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.079 1.282 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.025 3.606 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.445 2.882 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.465 2.488 -8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.923 3.322 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.300 0.883 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.384 0.382 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.759 0.422 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.960 1.581 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.847 2.066 -8.634 1.00 0.00 H new ATOM 316 N PHE A 24 2.545 0.022 -4.449 1.00 0.00 N ATOM 317 CA PHE A 24 2.130 -1.294 -3.877 1.00 0.00 C ATOM 318 C PHE A 24 1.070 -1.920 -4.772 1.00 0.00 C ATOM 319 O PHE A 24 0.405 -1.242 -5.536 1.00 0.00 O ATOM 320 CB PHE A 24 1.560 -1.152 -2.455 1.00 0.00 C ATOM 321 CG PHE A 24 1.598 0.281 -2.021 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.829 0.911 -1.867 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.410 0.980 -1.785 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.887 2.246 -1.476 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.466 2.320 -1.394 1.00 0.00 C ATOM 326 CZ PHE A 24 1.709 2.952 -1.242 1.00 0.00 C ATOM 0 H PHE A 24 1.789 0.577 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 24 3.017 -1.926 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.534 -1.520 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.137 -1.765 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.741 0.363 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.544 0.488 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.843 2.733 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.446 2.868 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.753 3.989 -0.943 1.00 0.00 H new ATOM 336 N LYS A 25 0.897 -3.206 -4.675 1.00 0.00 N ATOM 337 CA LYS A 25 -0.129 -3.876 -5.514 1.00 0.00 C ATOM 338 C LYS A 25 -1.209 -4.415 -4.588 1.00 0.00 C ATOM 339 O LYS A 25 -0.933 -4.883 -3.498 1.00 0.00 O ATOM 340 CB LYS A 25 0.509 -5.030 -6.288 1.00 0.00 C ATOM 341 CG LYS A 25 1.386 -4.470 -7.409 1.00 0.00 C ATOM 342 CD LYS A 25 2.151 -5.614 -8.075 1.00 0.00 C ATOM 343 CE LYS A 25 1.376 -6.104 -9.300 1.00 0.00 C ATOM 344 NZ LYS A 25 2.131 -7.207 -9.959 1.00 0.00 N ATOM 0 H LYS A 25 1.421 -3.821 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.555 -3.172 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.108 -5.645 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.265 -5.674 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.769 -3.954 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.085 -3.736 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.144 -5.277 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.290 -6.432 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.387 -6.453 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.226 -5.283 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.604 -7.540 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.065 -6.859 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.252 -7.993 -9.289 1.00 0.00 H new ATOM 358 N ILE A 26 -2.443 -4.321 -4.991 1.00 0.00 N ATOM 359 CA ILE A 26 -3.531 -4.794 -4.108 1.00 0.00 C ATOM 360 C ILE A 26 -4.138 -6.065 -4.670 1.00 0.00 C ATOM 361 O ILE A 26 -4.234 -6.250 -5.866 1.00 0.00 O ATOM 362 CB ILE A 26 -4.589 -3.704 -4.007 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.873 -2.349 -3.926 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.433 -3.936 -2.751 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.860 -1.249 -3.548 1.00 0.00 C ATOM 0 H ILE A 26 -2.740 -3.939 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.135 -5.012 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.246 -3.721 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.072 -2.397 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.410 -2.117 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.192 -3.158 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.917 -4.911 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.791 -3.905 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.337 -0.294 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.646 -1.191 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.303 -1.475 -2.578 1.00 0.00 H new ATOM 377 N HIS A 27 -4.540 -6.950 -3.810 1.00 0.00 N ATOM 378 CA HIS A 27 -5.133 -8.220 -4.283 1.00 0.00 C ATOM 379 C HIS A 27 -6.344 -8.577 -3.430 1.00 0.00 C ATOM 380 O HIS A 27 -6.234 -8.842 -2.244 1.00 0.00 O ATOM 381 CB HIS A 27 -4.098 -9.338 -4.169 1.00 0.00 C ATOM 382 CG HIS A 27 -2.764 -8.815 -4.609 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.151 -7.748 -3.976 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.923 -9.179 -5.631 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.000 -7.505 -4.617 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.807 -8.350 -5.635 1.00 0.00 N ATOM 0 H HIS A 27 -4.483 -6.847 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.442 -8.103 -5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.042 -9.695 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.392 -10.187 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.101 -9.986 -6.326 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.310 -6.720 -4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.014 -8.380 -6.275 1.00 0.00 H new ATOM 394 N ALA A 28 -7.497 -8.587 -4.024 1.00 0.00 N ATOM 395 CA ALA A 28 -8.721 -8.937 -3.259 1.00 0.00 C ATOM 396 C ALA A 28 -9.073 -10.407 -3.500 1.00 0.00 C ATOM 397 O ALA A 28 -8.641 -11.003 -4.465 1.00 0.00 O ATOM 398 CB ALA A 28 -9.883 -8.058 -3.729 1.00 0.00 C ATOM 0 H ALA A 28 -7.647 -8.368 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.542 -8.774 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.782 -8.314 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.637 -7.009 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.058 -8.224 -4.792 1.00 0.00 H new ATOM 404 N VAL A 29 -9.865 -10.987 -2.634 1.00 0.00 N ATOM 405 CA VAL A 29 -10.292 -12.407 -2.808 1.00 0.00 C ATOM 406 C VAL A 29 -11.753 -12.516 -2.361 1.00 0.00 C ATOM 407 O VAL A 29 -12.064 -12.391 -1.193 1.00 0.00 O ATOM 408 CB VAL A 29 -9.395 -13.336 -1.974 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.196 -14.541 -1.456 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.258 -13.842 -2.860 1.00 0.00 C ATOM 0 H VAL A 29 -10.239 -10.529 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.200 -12.709 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.004 -12.781 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.543 -15.186 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.018 -14.190 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.596 -15.102 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.613 -14.503 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.672 -14.389 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.677 -12.995 -3.225 1.00 0.00 H new ATOM 420 N ASP A 30 -12.654 -12.743 -3.275 1.00 0.00 N ATOM 421 CA ASP A 30 -14.086 -12.852 -2.887 1.00 0.00 C ATOM 422 C ASP A 30 -14.380 -14.309 -2.511 1.00 0.00 C ATOM 423 O ASP A 30 -13.480 -15.124 -2.474 1.00 0.00 O ATOM 424 CB ASP A 30 -14.951 -12.383 -4.065 1.00 0.00 C ATOM 425 CG ASP A 30 -15.351 -13.563 -4.964 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.578 -14.501 -5.060 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.424 -13.503 -5.542 1.00 0.00 O ATOM 0 H ASP A 30 -12.461 -12.857 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.314 -12.224 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.847 -11.889 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.403 -11.645 -4.651 1.00 0.00 H new ATOM 432 N PRO A 31 -15.622 -14.596 -2.223 1.00 0.00 N ATOM 433 CA PRO A 31 -16.038 -15.950 -1.823 1.00 0.00 C ATOM 434 C PRO A 31 -16.180 -16.880 -3.036 1.00 0.00 C ATOM 435 O PRO A 31 -16.850 -17.890 -2.965 1.00 0.00 O ATOM 436 CB PRO A 31 -17.392 -15.721 -1.146 1.00 0.00 C ATOM 437 CG PRO A 31 -17.931 -14.374 -1.684 1.00 0.00 C ATOM 438 CD PRO A 31 -16.722 -13.611 -2.260 1.00 0.00 C ATOM 0 HA PRO A 31 -15.310 -16.436 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.082 -16.534 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.283 -15.690 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.686 -14.539 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.406 -13.801 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.915 -13.267 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.487 -12.729 -1.664 1.00 0.00 H new ATOM 446 N ASP A 32 -15.558 -16.568 -4.146 1.00 0.00 N ATOM 447 CA ASP A 32 -15.681 -17.473 -5.324 1.00 0.00 C ATOM 448 C ASP A 32 -14.290 -17.935 -5.757 1.00 0.00 C ATOM 449 O ASP A 32 -14.103 -18.435 -6.849 1.00 0.00 O ATOM 450 CB ASP A 32 -16.348 -16.722 -6.480 1.00 0.00 C ATOM 451 CG ASP A 32 -17.756 -17.276 -6.710 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.159 -18.150 -5.960 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.407 -16.816 -7.634 1.00 0.00 O ATOM 0 H ASP A 32 -14.980 -15.739 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.287 -18.338 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.398 -15.657 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.752 -16.828 -7.387 1.00 0.00 H new ATOM 458 N GLY A 33 -13.305 -17.739 -4.925 1.00 0.00 N ATOM 459 CA GLY A 33 -11.923 -18.129 -5.309 1.00 0.00 C ATOM 460 C GLY A 33 -11.472 -17.109 -6.336 1.00 0.00 C ATOM 461 O GLY A 33 -10.716 -17.392 -7.244 1.00 0.00 O ATOM 0 H GLY A 33 -13.399 -17.326 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.262 -18.129 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.903 -19.136 -5.725 1.00 0.00 H new ATOM 465 N VAL A 34 -11.985 -15.918 -6.203 1.00 0.00 N ATOM 466 CA VAL A 34 -11.666 -14.841 -7.160 1.00 0.00 C ATOM 467 C VAL A 34 -11.775 -13.499 -6.436 1.00 0.00 C ATOM 468 O VAL A 34 -12.682 -13.296 -5.654 1.00 0.00 O ATOM 469 CB VAL A 34 -12.691 -14.880 -8.300 1.00 0.00 C ATOM 470 CG1 VAL A 34 -12.010 -14.495 -9.607 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.276 -16.290 -8.426 1.00 0.00 C ATOM 0 H VAL A 34 -12.623 -15.648 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.660 -14.970 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.495 -14.176 -8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.738 -14.522 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.600 -13.489 -9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.204 -15.198 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.003 -16.311 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.475 -16.999 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.766 -16.565 -7.492 1.00 0.00 H new ATOM 481 N HIS A 35 -10.864 -12.594 -6.673 1.00 0.00 N ATOM 482 CA HIS A 35 -10.928 -11.266 -5.982 1.00 0.00 C ATOM 483 C HIS A 35 -12.381 -10.827 -5.775 1.00 0.00 C ATOM 484 O HIS A 35 -12.757 -10.371 -4.715 1.00 0.00 O ATOM 485 CB HIS A 35 -10.177 -10.216 -6.811 1.00 0.00 C ATOM 486 CG HIS A 35 -8.857 -10.776 -7.285 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.665 -10.541 -6.613 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.522 -11.543 -8.376 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.684 -11.155 -7.300 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.151 -11.780 -8.381 1.00 0.00 N ATOM 0 H HIS A 35 -10.079 -12.713 -7.313 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.458 -11.362 -5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.782 -9.916 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.007 -9.322 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.218 -11.907 -9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.644 -11.143 -7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.618 -12.317 -9.065 1.00 0.00 H new ATOM 498 N ARG A 36 -13.180 -10.977 -6.780 1.00 0.00 N ATOM 499 CA ARG A 36 -14.619 -10.602 -6.714 1.00 0.00 C ATOM 500 C ARG A 36 -15.092 -10.460 -8.152 1.00 0.00 C ATOM 501 O ARG A 36 -15.296 -9.367 -8.642 1.00 0.00 O ATOM 502 CB ARG A 36 -14.806 -9.272 -5.977 1.00 0.00 C ATOM 503 CG ARG A 36 -16.272 -8.853 -6.066 1.00 0.00 C ATOM 504 CD ARG A 36 -16.414 -7.381 -5.673 1.00 0.00 C ATOM 505 NE ARG A 36 -17.855 -7.058 -5.480 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.733 -7.438 -6.369 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.664 -6.983 -7.589 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.679 -8.273 -6.036 1.00 0.00 N ATOM 0 H ARG A 36 -12.890 -11.358 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.187 -11.358 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.507 -9.375 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.168 -8.505 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.643 -9.006 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.878 -9.475 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.859 -7.183 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.987 -6.744 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.156 -6.540 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.924 -6.330 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.350 -7.280 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.733 -8.629 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.365 -8.570 -6.730 1.00 0.00 H new ATOM 522 N THR A 37 -15.229 -11.556 -8.850 1.00 0.00 N ATOM 523 CA THR A 37 -15.642 -11.461 -10.278 1.00 0.00 C ATOM 524 C THR A 37 -14.804 -10.353 -10.938 1.00 0.00 C ATOM 525 O THR A 37 -15.206 -9.207 -10.970 1.00 0.00 O ATOM 526 CB THR A 37 -17.127 -11.099 -10.363 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.344 -9.850 -9.722 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.958 -12.181 -9.673 1.00 0.00 C ATOM 0 H THR A 37 -15.075 -12.501 -8.498 1.00 0.00 H new ATOM 0 HA THR A 37 -15.484 -12.414 -10.784 1.00 0.00 H new ATOM 0 HB THR A 37 -17.426 -11.028 -11.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.498 -9.358 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.015 -11.922 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.790 -13.139 -10.166 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.662 -12.255 -8.626 1.00 0.00 H new ATOM 536 N ASP A 38 -13.630 -10.670 -11.429 1.00 0.00 N ATOM 537 CA ASP A 38 -12.768 -9.617 -12.041 1.00 0.00 C ATOM 538 C ASP A 38 -13.585 -8.740 -12.988 1.00 0.00 C ATOM 539 O ASP A 38 -14.758 -8.965 -13.214 1.00 0.00 O ATOM 540 CB ASP A 38 -11.617 -10.266 -12.810 1.00 0.00 C ATOM 541 CG ASP A 38 -10.338 -9.462 -12.564 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.435 -8.248 -12.463 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.285 -10.071 -12.474 1.00 0.00 O ATOM 0 H ASP A 38 -13.235 -11.610 -11.431 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.365 -8.994 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.482 -11.298 -12.485 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.845 -10.295 -13.876 1.00 0.00 H new ATOM 548 N GLY A 39 -12.970 -7.731 -13.541 1.00 0.00 N ATOM 549 CA GLY A 39 -13.707 -6.826 -14.465 1.00 0.00 C ATOM 550 C GLY A 39 -14.111 -5.553 -13.713 1.00 0.00 C ATOM 551 O GLY A 39 -14.014 -4.460 -14.236 1.00 0.00 O ATOM 0 H GLY A 39 -11.989 -7.495 -13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.081 -6.573 -15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.592 -7.328 -14.855 1.00 0.00 H new ATOM 555 N GLY A 40 -14.567 -5.677 -12.489 1.00 0.00 N ATOM 556 CA GLY A 40 -14.969 -4.466 -11.724 1.00 0.00 C ATOM 557 C GLY A 40 -15.035 -4.790 -10.225 1.00 0.00 C ATOM 558 O GLY A 40 -16.100 -4.992 -9.676 1.00 0.00 O ATOM 0 H GLY A 40 -14.676 -6.562 -11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.255 -3.661 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.940 -4.112 -12.071 1.00 0.00 H new ATOM 562 N ASP A 41 -13.911 -4.830 -9.548 1.00 0.00 N ATOM 563 CA ASP A 41 -13.940 -5.127 -8.086 1.00 0.00 C ATOM 564 C ASP A 41 -14.113 -3.814 -7.325 1.00 0.00 C ATOM 565 O ASP A 41 -13.524 -2.808 -7.666 1.00 0.00 O ATOM 566 CB ASP A 41 -12.626 -5.797 -7.655 1.00 0.00 C ATOM 567 CG ASP A 41 -12.675 -7.286 -8.004 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.116 -7.604 -9.096 1.00 0.00 O ATOM 569 OD2 ASP A 41 -12.269 -8.082 -7.174 1.00 0.00 O ATOM 0 H ASP A 41 -12.984 -4.671 -9.943 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.767 -5.803 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.782 -5.323 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.474 -5.668 -6.583 1.00 0.00 H new ATOM 574 N GLY A 42 -14.920 -3.808 -6.298 1.00 0.00 N ATOM 575 CA GLY A 42 -15.126 -2.549 -5.528 1.00 0.00 C ATOM 576 C GLY A 42 -13.851 -2.228 -4.752 1.00 0.00 C ATOM 577 O GLY A 42 -13.857 -2.128 -3.544 1.00 0.00 O ATOM 0 H GLY A 42 -15.443 -4.616 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.372 -1.730 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.966 -2.660 -4.843 1.00 0.00 H new ATOM 581 N PHE A 43 -12.756 -2.076 -5.441 1.00 0.00 N ATOM 582 CA PHE A 43 -11.474 -1.777 -4.752 1.00 0.00 C ATOM 583 C PHE A 43 -11.165 -0.283 -4.844 1.00 0.00 C ATOM 584 O PHE A 43 -10.566 0.177 -5.795 1.00 0.00 O ATOM 585 CB PHE A 43 -10.350 -2.553 -5.435 1.00 0.00 C ATOM 586 CG PHE A 43 -9.691 -3.499 -4.457 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.537 -3.145 -3.109 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.212 -4.730 -4.912 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.908 -4.035 -2.226 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.583 -5.611 -4.033 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.432 -5.265 -2.688 1.00 0.00 C ATOM 0 H PHE A 43 -12.695 -2.147 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.555 -2.066 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.749 -3.114 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.610 -1.859 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.901 -2.193 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.330 -5.001 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.791 -3.769 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.213 -6.560 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.948 -5.948 -2.006 1.00 0.00 H new ATOM 601 N VAL A 44 -11.531 0.472 -3.850 1.00 0.00 N ATOM 602 CA VAL A 44 -11.207 1.928 -3.885 1.00 0.00 C ATOM 603 C VAL A 44 -9.975 2.150 -3.008 1.00 0.00 C ATOM 604 O VAL A 44 -10.011 1.962 -1.809 1.00 0.00 O ATOM 605 CB VAL A 44 -12.392 2.801 -3.397 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.255 2.059 -2.373 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.862 4.093 -2.752 1.00 0.00 C ATOM 0 H VAL A 44 -12.035 0.152 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.009 2.230 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.005 3.035 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.075 2.702 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.659 1.153 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.646 1.792 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.701 4.700 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.228 3.842 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.281 4.654 -3.485 1.00 0.00 H new ATOM 617 N VAL A 45 -8.884 2.542 -3.600 1.00 0.00 N ATOM 618 CA VAL A 45 -7.650 2.767 -2.804 1.00 0.00 C ATOM 619 C VAL A 45 -7.185 4.205 -2.980 1.00 0.00 C ATOM 620 O VAL A 45 -7.384 4.811 -4.013 1.00 0.00 O ATOM 621 CB VAL A 45 -6.553 1.824 -3.287 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.362 1.889 -2.330 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.096 0.400 -3.328 1.00 0.00 C ATOM 0 H VAL A 45 -8.794 2.716 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.861 2.576 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.230 2.122 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.579 1.214 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.976 2.908 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.681 1.591 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.315 -0.277 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.418 0.104 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.944 0.354 -4.011 1.00 0.00 H new ATOM 633 N THR A 46 -6.560 4.757 -1.981 1.00 0.00 N ATOM 634 CA THR A 46 -6.082 6.155 -2.109 1.00 0.00 C ATOM 635 C THR A 46 -4.992 6.452 -1.081 1.00 0.00 C ATOM 636 O THR A 46 -5.123 6.171 0.095 1.00 0.00 O ATOM 637 CB THR A 46 -7.249 7.124 -1.904 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.475 6.406 -1.948 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.233 8.180 -3.011 1.00 0.00 C ATOM 0 H THR A 46 -6.361 4.304 -1.089 1.00 0.00 H new ATOM 0 HA THR A 46 -5.667 6.284 -3.109 1.00 0.00 H new ATOM 0 HB THR A 46 -7.151 7.613 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.222 7.026 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.063 8.871 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.293 8.730 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.331 7.692 -3.981 1.00 0.00 H new ATOM 647 N ILE A 47 -3.933 7.053 -1.532 1.00 0.00 N ATOM 648 CA ILE A 47 -2.820 7.437 -0.625 1.00 0.00 C ATOM 649 C ILE A 47 -2.610 8.934 -0.738 1.00 0.00 C ATOM 650 O ILE A 47 -2.932 9.541 -1.739 1.00 0.00 O ATOM 651 CB ILE A 47 -1.506 6.750 -1.027 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.425 5.344 -0.412 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.312 7.600 -0.544 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.021 5.076 0.026 1.00 0.00 C ATOM 0 H ILE A 47 -3.788 7.300 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.082 7.135 0.389 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.474 6.657 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.098 5.267 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.744 4.596 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.620 7.113 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.360 8.588 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.352 7.700 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.090 4.080 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.681 5.138 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.321 5.819 0.765 1.00 0.00 H new ATOM 666 N GLU A 48 -2.028 9.530 0.253 1.00 0.00 N ATOM 667 CA GLU A 48 -1.760 10.979 0.137 1.00 0.00 C ATOM 668 C GLU A 48 -0.865 11.452 1.283 1.00 0.00 C ATOM 669 O GLU A 48 -0.807 10.858 2.346 1.00 0.00 O ATOM 670 CB GLU A 48 -3.077 11.754 0.151 1.00 0.00 C ATOM 671 CG GLU A 48 -4.005 11.168 1.216 1.00 0.00 C ATOM 672 CD GLU A 48 -4.553 12.296 2.095 1.00 0.00 C ATOM 673 OE1 GLU A 48 -3.856 12.695 3.014 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.658 12.740 1.834 1.00 0.00 O ATOM 0 H GLU A 48 -1.731 9.088 1.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.245 11.163 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.889 12.807 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.552 11.702 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.826 10.631 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.464 10.447 1.828 1.00 0.00 H new ATOM 681 N GLY A 49 -0.165 12.524 1.051 1.00 0.00 N ATOM 682 CA GLY A 49 0.749 13.092 2.078 1.00 0.00 C ATOM 683 C GLY A 49 1.103 14.521 1.660 1.00 0.00 C ATOM 684 O GLY A 49 0.492 15.067 0.762 1.00 0.00 O ATOM 0 H GLY A 49 -0.188 13.042 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.270 13.089 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.651 12.486 2.162 1.00 0.00 H new ATOM 688 N PRO A 50 2.077 15.088 2.316 1.00 0.00 N ATOM 689 CA PRO A 50 2.528 16.459 2.022 1.00 0.00 C ATOM 690 C PRO A 50 3.343 16.479 0.725 1.00 0.00 C ATOM 691 O PRO A 50 4.551 16.613 0.740 1.00 0.00 O ATOM 692 CB PRO A 50 3.397 16.820 3.231 1.00 0.00 C ATOM 693 CG PRO A 50 3.844 15.479 3.860 1.00 0.00 C ATOM 694 CD PRO A 50 2.825 14.420 3.399 1.00 0.00 C ATOM 0 HA PRO A 50 1.709 17.163 1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.259 17.413 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.836 17.418 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.851 15.215 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.866 15.549 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.322 13.517 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.165 14.120 4.213 1.00 0.00 H new ATOM 702 N ALA A 51 2.690 16.340 -0.398 1.00 0.00 N ATOM 703 CA ALA A 51 3.426 16.345 -1.693 1.00 0.00 C ATOM 704 C ALA A 51 2.474 16.763 -2.820 1.00 0.00 C ATOM 705 O ALA A 51 1.302 16.981 -2.587 1.00 0.00 O ATOM 706 CB ALA A 51 3.962 14.939 -1.972 1.00 0.00 C ATOM 0 H ALA A 51 1.679 16.223 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 51 4.256 17.050 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.502 14.937 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.636 14.641 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.130 14.237 -2.027 1.00 0.00 H new ATOM 712 N PRO A 52 3.010 16.860 -4.011 1.00 0.00 N ATOM 713 CA PRO A 52 2.231 17.247 -5.202 1.00 0.00 C ATOM 714 C PRO A 52 1.392 16.063 -5.692 1.00 0.00 C ATOM 715 O PRO A 52 0.187 16.150 -5.811 1.00 0.00 O ATOM 716 CB PRO A 52 3.305 17.627 -6.226 1.00 0.00 C ATOM 717 CG PRO A 52 4.604 16.913 -5.780 1.00 0.00 C ATOM 718 CD PRO A 52 4.438 16.590 -4.284 1.00 0.00 C ATOM 0 HA PRO A 52 1.528 18.059 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.014 17.314 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.447 18.707 -6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.763 16.002 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.473 17.551 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.695 15.553 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.086 17.213 -3.668 1.00 0.00 H new ATOM 726 N VAL A 53 2.022 14.954 -5.969 1.00 0.00 N ATOM 727 CA VAL A 53 1.265 13.761 -6.442 1.00 0.00 C ATOM 728 C VAL A 53 0.865 12.914 -5.229 1.00 0.00 C ATOM 729 O VAL A 53 1.485 11.911 -4.937 1.00 0.00 O ATOM 730 CB VAL A 53 2.159 12.931 -7.363 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.303 11.941 -8.152 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.886 13.862 -8.336 1.00 0.00 C ATOM 0 H VAL A 53 3.030 14.823 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 53 0.374 14.077 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 53 2.888 12.383 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.942 11.350 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.782 11.279 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.574 12.487 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.525 13.273 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.155 14.408 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.497 14.569 -7.775 1.00 0.00 H new ATOM 742 N ASP A 54 -0.147 13.314 -4.500 1.00 0.00 N ATOM 743 CA ASP A 54 -0.538 12.526 -3.300 1.00 0.00 C ATOM 744 C ASP A 54 -1.568 11.438 -3.659 1.00 0.00 C ATOM 745 O ASP A 54 -1.386 10.294 -3.292 1.00 0.00 O ATOM 746 CB ASP A 54 -1.095 13.470 -2.223 1.00 0.00 C ATOM 747 CG ASP A 54 0.041 14.339 -1.674 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.128 13.814 -1.495 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.194 15.514 -1.442 1.00 0.00 O ATOM 0 H ASP A 54 -0.712 14.143 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 54 0.346 12.022 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.878 14.100 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.549 12.893 -1.417 1.00 0.00 H new ATOM 754 N PRO A 55 -2.620 11.803 -4.361 1.00 0.00 N ATOM 755 CA PRO A 55 -3.673 10.842 -4.759 1.00 0.00 C ATOM 756 C PRO A 55 -3.243 10.056 -6.003 1.00 0.00 C ATOM 757 O PRO A 55 -3.367 10.532 -7.113 1.00 0.00 O ATOM 758 CB PRO A 55 -4.866 11.739 -5.093 1.00 0.00 C ATOM 759 CG PRO A 55 -4.283 13.131 -5.433 1.00 0.00 C ATOM 760 CD PRO A 55 -2.868 13.185 -4.822 1.00 0.00 C ATOM 0 HA PRO A 55 -3.889 10.106 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.430 11.338 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.554 11.801 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.244 13.280 -6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.911 13.923 -5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.128 13.498 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.817 13.895 -3.997 1.00 0.00 H new ATOM 768 N VAL A 56 -2.724 8.867 -5.838 1.00 0.00 N ATOM 769 CA VAL A 56 -2.282 8.092 -7.019 1.00 0.00 C ATOM 770 C VAL A 56 -2.753 6.646 -6.926 1.00 0.00 C ATOM 771 O VAL A 56 -2.084 5.808 -6.358 1.00 0.00 O ATOM 772 CB VAL A 56 -0.774 8.076 -7.036 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.294 7.559 -8.396 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.238 9.490 -6.801 1.00 0.00 C ATOM 0 H VAL A 56 -2.590 8.407 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.697 8.553 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.406 7.423 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.796 7.545 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.673 6.550 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.663 8.214 -9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.852 9.473 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.600 10.152 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.583 9.854 -5.833 1.00 0.00 H new ATOM 784 N MET A 57 -3.876 6.331 -7.494 1.00 0.00 N ATOM 785 CA MET A 57 -4.338 4.919 -7.439 1.00 0.00 C ATOM 786 C MET A 57 -4.934 4.510 -8.788 1.00 0.00 C ATOM 787 O MET A 57 -5.641 5.265 -9.426 1.00 0.00 O ATOM 788 CB MET A 57 -5.363 4.752 -6.310 1.00 0.00 C ATOM 789 CG MET A 57 -6.696 5.387 -6.709 1.00 0.00 C ATOM 790 SD MET A 57 -6.623 7.174 -6.428 1.00 0.00 S ATOM 791 CE MET A 57 -8.377 7.417 -6.054 1.00 0.00 C ATOM 0 H MET A 57 -4.489 6.979 -7.989 1.00 0.00 H new ATOM 0 HA MET A 57 -3.489 4.267 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.507 3.694 -6.093 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.989 5.217 -5.398 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.909 5.182 -7.758 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.508 4.950 -6.127 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.540 8.443 -5.725 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.970 7.225 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.679 6.730 -5.264 1.00 0.00 H new ATOM 801 N VAL A 58 -4.630 3.317 -9.239 1.00 0.00 N ATOM 802 CA VAL A 58 -5.152 2.857 -10.556 1.00 0.00 C ATOM 803 C VAL A 58 -5.671 1.419 -10.443 1.00 0.00 C ATOM 804 O VAL A 58 -5.253 0.659 -9.587 1.00 0.00 O ATOM 805 CB VAL A 58 -4.037 2.893 -11.611 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.530 3.652 -12.843 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.793 3.595 -11.053 1.00 0.00 C ATOM 0 H VAL A 58 -4.042 2.644 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.963 3.522 -10.853 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.776 1.870 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.740 3.679 -13.594 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.405 3.149 -13.255 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.797 4.670 -12.560 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.013 3.612 -11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.047 4.617 -10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.434 3.056 -10.176 1.00 0.00 H new ATOM 817 N ASP A 59 -6.574 1.038 -11.314 1.00 0.00 N ATOM 818 CA ASP A 59 -7.124 -0.345 -11.278 1.00 0.00 C ATOM 819 C ASP A 59 -6.704 -1.095 -12.546 1.00 0.00 C ATOM 820 O ASP A 59 -6.881 -0.612 -13.649 1.00 0.00 O ATOM 821 CB ASP A 59 -8.650 -0.281 -11.212 1.00 0.00 C ATOM 822 CG ASP A 59 -9.229 -1.690 -11.362 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.495 -2.637 -11.131 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.395 -1.797 -11.701 1.00 0.00 O ATOM 0 H ASP A 59 -6.953 1.632 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.740 -0.867 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.965 0.154 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.032 0.366 -12.002 1.00 0.00 H new ATOM 829 N ASN A 60 -6.139 -2.264 -12.404 1.00 0.00 N ATOM 830 CA ASN A 60 -5.701 -3.028 -13.610 1.00 0.00 C ATOM 831 C ASN A 60 -6.832 -3.924 -14.124 1.00 0.00 C ATOM 832 O ASN A 60 -6.716 -4.535 -15.167 1.00 0.00 O ATOM 833 CB ASN A 60 -4.488 -3.890 -13.255 1.00 0.00 C ATOM 834 CG ASN A 60 -3.228 -3.274 -13.868 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.303 -2.554 -14.843 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.065 -3.529 -13.333 1.00 0.00 N ATOM 0 H ASN A 60 -5.962 -2.722 -11.510 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.435 -2.319 -14.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.382 -3.960 -12.172 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.628 -4.905 -13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.219 -3.123 -13.734 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.002 -4.134 -12.514 1.00 0.00 H new ATOM 843 N GLY A 61 -7.928 -4.003 -13.422 1.00 0.00 N ATOM 844 CA GLY A 61 -9.049 -4.854 -13.904 1.00 0.00 C ATOM 845 C GLY A 61 -8.704 -6.333 -13.719 1.00 0.00 C ATOM 846 O GLY A 61 -9.355 -7.203 -14.261 1.00 0.00 O ATOM 0 H GLY A 61 -8.095 -3.518 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.960 -4.614 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.246 -4.647 -14.956 1.00 0.00 H new ATOM 850 N ASP A 62 -7.683 -6.629 -12.959 1.00 0.00 N ATOM 851 CA ASP A 62 -7.304 -8.057 -12.746 1.00 0.00 C ATOM 852 C ASP A 62 -7.497 -8.424 -11.272 1.00 0.00 C ATOM 853 O ASP A 62 -6.687 -9.113 -10.682 1.00 0.00 O ATOM 854 CB ASP A 62 -5.837 -8.258 -13.135 1.00 0.00 C ATOM 855 CG ASP A 62 -4.969 -7.242 -12.390 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.531 -6.361 -11.760 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.757 -7.362 -12.461 1.00 0.00 O ATOM 0 H ASP A 62 -7.097 -5.947 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.935 -8.696 -13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.520 -9.272 -12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.715 -8.137 -14.211 1.00 0.00 H new ATOM 862 N GLY A 63 -8.564 -7.970 -10.672 1.00 0.00 N ATOM 863 CA GLY A 63 -8.811 -8.292 -9.233 1.00 0.00 C ATOM 864 C GLY A 63 -7.663 -7.752 -8.369 1.00 0.00 C ATOM 865 O GLY A 63 -7.545 -8.073 -7.195 1.00 0.00 O ATOM 0 H GLY A 63 -9.277 -7.390 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.756 -7.855 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.898 -9.371 -9.103 1.00 0.00 H new ATOM 869 N THR A 64 -6.820 -6.932 -8.940 1.00 0.00 N ATOM 870 CA THR A 64 -5.683 -6.365 -8.168 1.00 0.00 C ATOM 871 C THR A 64 -5.509 -4.893 -8.542 1.00 0.00 C ATOM 872 O THR A 64 -5.824 -4.481 -9.641 1.00 0.00 O ATOM 873 CB THR A 64 -4.403 -7.123 -8.503 1.00 0.00 C ATOM 874 OG1 THR A 64 -4.237 -7.172 -9.915 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.484 -8.545 -7.943 1.00 0.00 C ATOM 0 H THR A 64 -6.873 -6.631 -9.913 1.00 0.00 H new ATOM 0 HA THR A 64 -5.887 -6.457 -7.101 1.00 0.00 H new ATOM 0 HB THR A 64 -3.551 -6.611 -8.056 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.773 -6.466 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.568 -9.084 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.606 -8.503 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.336 -9.062 -8.385 1.00 0.00 H new ATOM 883 N TYR A 65 -5.032 -4.088 -7.631 1.00 0.00 N ATOM 884 CA TYR A 65 -4.868 -2.639 -7.942 1.00 0.00 C ATOM 885 C TYR A 65 -3.444 -2.170 -7.647 1.00 0.00 C ATOM 886 O TYR A 65 -2.741 -2.745 -6.840 1.00 0.00 O ATOM 887 CB TYR A 65 -5.857 -1.842 -7.099 1.00 0.00 C ATOM 888 CG TYR A 65 -7.248 -2.189 -7.552 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.716 -3.502 -7.431 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.062 -1.207 -8.118 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.994 -3.830 -7.875 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.341 -1.535 -8.564 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.811 -2.848 -8.445 1.00 0.00 C ATOM 894 OH TYR A 65 -11.079 -3.170 -8.885 1.00 0.00 O ATOM 0 H TYR A 65 -4.751 -4.368 -6.692 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.061 -2.481 -9.003 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.732 -2.078 -6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.677 -0.773 -7.211 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.085 -4.261 -6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.701 -0.193 -8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.355 -4.843 -7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.971 -0.775 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.739 -2.879 -8.222 1.00 0.00 H new ATOM 904 N ASP A 66 -3.016 -1.119 -8.302 1.00 0.00 N ATOM 905 CA ASP A 66 -1.639 -0.600 -8.065 1.00 0.00 C ATOM 906 C ASP A 66 -1.720 0.877 -7.679 1.00 0.00 C ATOM 907 O ASP A 66 -2.257 1.688 -8.406 1.00 0.00 O ATOM 908 CB ASP A 66 -0.811 -0.748 -9.344 1.00 0.00 C ATOM 909 CG ASP A 66 -0.802 -2.214 -9.780 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.856 -2.827 -9.745 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.258 -2.698 -10.141 1.00 0.00 O ATOM 0 H ASP A 66 -3.562 -0.600 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.167 -1.165 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.229 -0.125 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.208 -0.403 -9.172 1.00 0.00 H new ATOM 916 N VAL A 67 -1.198 1.234 -6.537 1.00 0.00 N ATOM 917 CA VAL A 67 -1.257 2.658 -6.111 1.00 0.00 C ATOM 918 C VAL A 67 0.177 3.172 -5.915 1.00 0.00 C ATOM 919 O VAL A 67 1.037 2.438 -5.471 1.00 0.00 O ATOM 920 CB VAL A 67 -2.062 2.750 -4.809 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.245 1.784 -4.875 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.203 2.366 -3.626 1.00 0.00 C ATOM 0 H VAL A 67 -0.735 0.602 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.747 3.273 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.409 3.777 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.819 1.848 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.884 2.048 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.877 0.766 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.791 2.437 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.848 1.343 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.349 3.041 -3.562 1.00 0.00 H new ATOM 932 N GLU A 68 0.466 4.411 -6.258 1.00 0.00 N ATOM 933 CA GLU A 68 1.883 4.891 -6.096 1.00 0.00 C ATOM 934 C GLU A 68 1.982 6.401 -5.893 1.00 0.00 C ATOM 935 O GLU A 68 1.514 7.179 -6.682 1.00 0.00 O ATOM 936 CB GLU A 68 2.686 4.583 -7.357 1.00 0.00 C ATOM 937 CG GLU A 68 2.520 3.118 -7.769 1.00 0.00 C ATOM 938 CD GLU A 68 1.196 2.940 -8.514 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.843 3.828 -9.272 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.559 1.919 -8.314 1.00 0.00 O ATOM 0 H GLU A 68 -0.195 5.092 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 68 2.268 4.376 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.358 5.232 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.740 4.798 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.351 2.813 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.542 2.477 -6.887 1.00 0.00 H new ATOM 947 N PHE A 69 2.693 6.814 -4.897 1.00 0.00 N ATOM 948 CA PHE A 69 2.916 8.278 -4.687 1.00 0.00 C ATOM 949 C PHE A 69 4.424 8.480 -4.452 1.00 0.00 C ATOM 950 O PHE A 69 5.123 7.555 -4.073 1.00 0.00 O ATOM 951 CB PHE A 69 2.100 8.818 -3.494 1.00 0.00 C ATOM 952 CG PHE A 69 2.630 8.251 -2.216 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.531 6.883 -1.968 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.212 9.101 -1.273 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.015 6.363 -0.769 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.695 8.579 -0.076 1.00 0.00 C ATOM 957 CZ PHE A 69 3.593 7.204 0.171 1.00 0.00 C ATOM 0 H PHE A 69 3.137 6.206 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 69 2.580 8.833 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.153 9.906 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.049 8.553 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.082 6.229 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.287 10.160 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.940 5.304 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.146 9.231 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.966 6.796 1.099 1.00 0.00 H new ATOM 967 N GLU A 70 4.953 9.648 -4.708 1.00 0.00 N ATOM 968 CA GLU A 70 6.423 9.842 -4.510 1.00 0.00 C ATOM 969 C GLU A 70 6.731 11.304 -4.135 1.00 0.00 C ATOM 970 O GLU A 70 6.842 12.150 -5.001 1.00 0.00 O ATOM 971 CB GLU A 70 7.153 9.484 -5.806 1.00 0.00 C ATOM 972 CG GLU A 70 8.640 9.811 -5.661 1.00 0.00 C ATOM 973 CD GLU A 70 9.372 9.453 -6.955 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.149 8.364 -7.457 1.00 0.00 O ATOM 975 OE2 GLU A 70 10.144 10.274 -7.422 1.00 0.00 O ATOM 0 H GLU A 70 4.442 10.465 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 70 6.760 9.197 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.023 8.425 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.727 10.040 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.770 10.870 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.065 9.256 -4.825 1.00 0.00 H new ATOM 982 N PRO A 71 6.862 11.551 -2.853 1.00 0.00 N ATOM 983 CA PRO A 71 7.163 12.899 -2.316 1.00 0.00 C ATOM 984 C PRO A 71 8.663 13.233 -2.428 1.00 0.00 C ATOM 985 O PRO A 71 9.463 12.423 -2.853 1.00 0.00 O ATOM 986 CB PRO A 71 6.750 12.791 -0.846 1.00 0.00 C ATOM 987 CG PRO A 71 6.785 11.285 -0.489 1.00 0.00 C ATOM 988 CD PRO A 71 6.711 10.510 -1.817 1.00 0.00 C ATOM 0 HA PRO A 71 6.645 13.689 -2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.430 13.356 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.753 13.203 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.698 11.037 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.949 11.022 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.501 9.762 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.763 9.982 -1.918 1.00 0.00 H new ATOM 996 N LYS A 72 9.042 14.433 -2.048 1.00 0.00 N ATOM 997 CA LYS A 72 10.482 14.846 -2.124 1.00 0.00 C ATOM 998 C LYS A 72 10.883 15.631 -0.867 1.00 0.00 C ATOM 999 O LYS A 72 11.733 16.494 -0.919 1.00 0.00 O ATOM 1000 CB LYS A 72 10.681 15.743 -3.342 1.00 0.00 C ATOM 1001 CG LYS A 72 10.034 15.095 -4.568 1.00 0.00 C ATOM 1002 CD LYS A 72 10.983 15.200 -5.764 1.00 0.00 C ATOM 1003 CE LYS A 72 10.731 14.033 -6.722 1.00 0.00 C ATOM 1004 NZ LYS A 72 12.036 13.479 -7.181 1.00 0.00 N ATOM 0 H LYS A 72 8.411 15.148 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 72 11.099 13.951 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.240 16.723 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.745 15.901 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.807 14.049 -4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.089 15.588 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.830 16.148 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.018 15.187 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.149 13.258 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.145 14.370 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.867 12.686 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.575 14.221 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.579 13.143 -6.360 1.00 0.00 H new ATOM 1018 N GLU A 73 10.287 15.355 0.263 1.00 0.00 N ATOM 1019 CA GLU A 73 10.662 16.094 1.491 1.00 0.00 C ATOM 1020 C GLU A 73 10.378 15.202 2.699 1.00 0.00 C ATOM 1021 O GLU A 73 10.233 14.003 2.577 1.00 0.00 O ATOM 1022 CB GLU A 73 9.837 17.383 1.576 1.00 0.00 C ATOM 1023 CG GLU A 73 8.357 17.039 1.765 1.00 0.00 C ATOM 1024 CD GLU A 73 7.703 18.079 2.677 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.209 18.283 3.768 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.708 18.654 2.269 1.00 0.00 O ATOM 0 H GLU A 73 9.559 14.651 0.383 1.00 0.00 H new ATOM 0 HA GLU A 73 11.720 16.356 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.187 17.995 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.970 17.972 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.852 17.018 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.257 16.044 2.200 1.00 0.00 H new ATOM 1033 N ALA A 74 10.259 15.781 3.853 1.00 0.00 N ATOM 1034 CA ALA A 74 9.942 14.975 5.063 1.00 0.00 C ATOM 1035 C ALA A 74 8.420 14.918 5.166 1.00 0.00 C ATOM 1036 O ALA A 74 7.759 15.936 5.217 1.00 0.00 O ATOM 1037 CB ALA A 74 10.532 15.644 6.306 1.00 0.00 C ATOM 0 H ALA A 74 10.367 16.782 4.015 1.00 0.00 H new ATOM 0 HA ALA A 74 10.366 13.973 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.295 15.048 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.614 15.720 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.107 16.642 6.418 1.00 0.00 H new ATOM 1043 N GLY A 75 7.849 13.750 5.140 1.00 0.00 N ATOM 1044 CA GLY A 75 6.365 13.670 5.171 1.00 0.00 C ATOM 1045 C GLY A 75 5.901 12.288 5.622 1.00 0.00 C ATOM 1046 O GLY A 75 6.631 11.320 5.577 1.00 0.00 O ATOM 0 H GLY A 75 8.338 12.856 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.970 14.429 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.965 13.887 4.181 1.00 0.00 H new ATOM 1050 N ASP A 76 4.675 12.199 6.044 1.00 0.00 N ATOM 1051 CA ASP A 76 4.114 10.897 6.489 1.00 0.00 C ATOM 1052 C ASP A 76 3.039 10.505 5.490 1.00 0.00 C ATOM 1053 O ASP A 76 2.524 11.329 4.761 1.00 0.00 O ATOM 1054 CB ASP A 76 3.500 11.041 7.885 1.00 0.00 C ATOM 1055 CG ASP A 76 2.943 12.456 8.054 1.00 0.00 C ATOM 1056 OD1 ASP A 76 3.735 13.383 8.084 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.734 12.587 8.152 1.00 0.00 O ATOM 0 H ASP A 76 4.027 12.985 6.101 1.00 0.00 H new ATOM 0 HA ASP A 76 4.894 10.137 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.706 10.307 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.253 10.842 8.647 1.00 0.00 H new ATOM 1062 N TYR A 77 2.729 9.250 5.405 1.00 0.00 N ATOM 1063 CA TYR A 77 1.725 8.819 4.401 1.00 0.00 C ATOM 1064 C TYR A 77 0.480 8.285 5.063 1.00 0.00 C ATOM 1065 O TYR A 77 0.528 7.492 5.978 1.00 0.00 O ATOM 1066 CB TYR A 77 2.267 7.674 3.557 1.00 0.00 C ATOM 1067 CG TYR A 77 3.707 7.887 3.217 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.166 9.162 2.905 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.568 6.790 3.160 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.498 9.349 2.535 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.896 6.969 2.783 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.366 8.250 2.468 1.00 0.00 C ATOM 1073 OH TYR A 77 7.679 8.432 2.089 1.00 0.00 O ATOM 0 H TYR A 77 3.123 8.506 5.982 1.00 0.00 H new ATOM 0 HA TYR A 77 1.502 9.698 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.154 6.735 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.683 7.586 2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.493 10.005 2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.204 5.804 3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.860 10.339 2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.563 6.121 2.734 1.00 0.00 H new ATOM 0 HH TYR A 77 7.932 9.369 2.226 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.633 8.652 4.527 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.910 8.109 5.024 1.00 0.00 C ATOM 1085 C VAL A 78 -2.406 7.228 3.906 1.00 0.00 C ATOM 1086 O VAL A 78 -2.402 7.621 2.746 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.901 9.221 5.320 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.778 10.301 4.249 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.320 8.649 5.324 1.00 0.00 C ATOM 0 H VAL A 78 -0.715 9.314 3.755 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.788 7.563 5.959 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.689 9.656 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.488 11.102 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.765 10.703 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.993 9.870 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.033 9.446 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.540 8.215 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.399 7.878 6.090 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.752 6.022 4.205 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.146 5.119 3.105 1.00 0.00 C ATOM 1101 C ILE A 79 -4.604 4.694 3.241 1.00 0.00 C ATOM 1102 O ILE A 79 -5.202 4.776 4.287 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.139 3.959 3.117 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -2.532 2.850 2.165 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.007 3.383 4.527 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.411 2.625 1.151 1.00 0.00 C ATOM 0 H ILE A 79 -2.780 5.625 5.144 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.107 5.607 2.131 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.184 4.368 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.724 1.932 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.456 3.110 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.290 2.562 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.660 4.161 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.977 3.015 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.695 1.826 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.240 3.542 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.497 2.346 1.675 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.193 4.305 2.152 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.630 3.916 2.172 1.00 0.00 C ATOM 1120 C ASN A 80 -6.917 2.899 1.059 1.00 0.00 C ATOM 1121 O ASN A 80 -6.839 3.200 -0.112 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.486 5.156 1.962 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.955 6.294 2.833 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.120 6.281 4.036 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -6.317 7.285 2.273 1.00 0.00 N ATOM 0 H ASN A 80 -4.740 4.238 1.240 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.867 3.462 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.470 5.449 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.524 4.942 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.957 8.048 2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.178 7.296 1.263 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.264 1.702 1.445 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.590 0.621 0.470 1.00 0.00 C ATOM 1134 C LEU A 81 -8.879 -0.022 0.963 1.00 0.00 C ATOM 1135 O LEU A 81 -8.956 -0.527 2.067 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.442 -0.404 0.400 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.915 -1.761 -0.118 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.523 -2.562 1.027 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.948 -1.577 -1.224 1.00 0.00 C ATOM 0 H LEU A 81 -7.337 1.420 2.423 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.717 1.014 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.655 -0.022 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.005 -0.527 1.391 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.060 -2.300 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.860 -3.530 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.773 -2.713 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.371 -2.017 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.275 -2.553 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.805 -1.028 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.504 -1.018 -2.048 1.00 0.00 H new ATOM 1151 N THR A 82 -9.908 0.061 0.182 1.00 0.00 N ATOM 1152 CA THR A 82 -11.231 -0.470 0.630 1.00 0.00 C ATOM 1153 C THR A 82 -11.814 -1.443 -0.389 1.00 0.00 C ATOM 1154 O THR A 82 -11.783 -1.207 -1.581 1.00 0.00 O ATOM 1155 CB THR A 82 -12.173 0.724 0.792 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.936 1.664 -0.246 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.917 1.390 2.140 1.00 0.00 C ATOM 0 H THR A 82 -9.899 0.473 -0.751 1.00 0.00 H new ATOM 0 HA THR A 82 -11.108 -1.012 1.568 1.00 0.00 H new ATOM 0 HB THR A 82 -13.206 0.379 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.403 1.244 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.587 2.242 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.097 0.672 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.883 1.733 2.186 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.367 -2.533 0.077 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.975 -3.514 -0.878 1.00 0.00 C ATOM 1167 C LEU A 83 -14.318 -4.009 -0.336 1.00 0.00 C ATOM 1168 O LEU A 83 -14.425 -5.125 0.121 1.00 0.00 O ATOM 1169 CB LEU A 83 -12.028 -4.706 -1.072 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.475 -5.573 -2.266 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.574 -6.541 -1.818 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.016 -4.688 -3.397 1.00 0.00 C ATOM 0 H LEU A 83 -12.425 -2.786 1.063 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.136 -3.021 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.013 -4.346 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.007 -5.311 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.614 -6.133 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.888 -7.152 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.191 -7.186 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.427 -5.975 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.327 -5.315 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.870 -4.116 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.235 -4.003 -3.728 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.329 -3.168 -0.388 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.706 -3.521 0.102 1.00 0.00 C ATOM 1186 C ASP A 84 -17.291 -2.291 0.784 1.00 0.00 C ATOM 1187 O ASP A 84 -18.490 -2.131 0.899 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.701 -4.698 1.086 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.721 -6.019 0.311 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.581 -5.974 -0.900 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.878 -7.052 0.942 1.00 0.00 O ATOM 0 H ASP A 84 -15.253 -2.222 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.306 -3.830 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.816 -4.651 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.568 -4.638 1.744 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.432 -1.429 1.253 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.893 -0.206 1.956 1.00 0.00 C ATOM 1198 C GLY A 85 -16.063 -0.006 3.231 1.00 0.00 C ATOM 1199 O GLY A 85 -16.282 0.929 3.976 1.00 0.00 O ATOM 0 H GLY A 85 -15.419 -1.524 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.792 0.661 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.950 -0.295 2.207 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.102 -0.864 3.494 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.275 -0.692 4.715 1.00 0.00 C ATOM 1205 C ASP A 86 -12.806 -0.659 4.298 1.00 0.00 C ATOM 1206 O ASP A 86 -12.483 -0.897 3.154 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.514 -1.866 5.666 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.558 -3.168 4.865 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -14.223 -3.133 3.693 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -14.926 -4.180 5.439 1.00 0.00 O ATOM 0 H ASP A 86 -14.862 -1.668 2.914 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.542 0.234 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.720 -1.912 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.451 -1.726 6.206 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.911 -0.372 5.201 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.475 -0.335 4.818 1.00 0.00 C ATOM 1217 C ASN A 87 -9.775 -1.586 5.344 1.00 0.00 C ATOM 1218 O ASN A 87 -10.191 -2.175 6.323 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.815 0.909 5.421 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.365 1.154 6.828 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.636 0.221 7.558 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.541 2.378 7.242 1.00 0.00 N ATOM 0 H ASN A 87 -12.110 -0.163 6.179 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.391 -0.300 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.734 0.776 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.006 1.776 4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.906 2.552 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.314 3.161 6.629 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.718 -2.002 4.705 1.00 0.00 N ATOM 1230 CA VAL A 88 -8.007 -3.220 5.181 1.00 0.00 C ATOM 1231 C VAL A 88 -7.362 -2.918 6.549 1.00 0.00 C ATOM 1232 O VAL A 88 -7.393 -1.798 7.019 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.953 -3.623 4.138 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.811 -4.410 4.789 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.627 -4.506 3.088 1.00 0.00 C ATOM 0 H VAL A 88 -8.318 -1.555 3.880 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.700 -4.052 5.304 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.539 -2.722 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.078 -4.683 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.332 -3.794 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.209 -5.313 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.894 -4.803 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.035 -5.395 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.433 -3.950 2.608 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.819 -3.913 7.214 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.223 -3.676 8.569 1.00 0.00 C ATOM 1247 C ASN A 89 -4.809 -3.086 8.482 1.00 0.00 C ATOM 1248 O ASN A 89 -4.029 -3.186 9.408 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.177 -5.001 9.335 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.024 -4.722 10.831 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -5.466 -3.715 11.219 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -6.499 -5.578 11.695 1.00 0.00 N ATOM 0 H ASN A 89 -6.763 -4.875 6.878 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.850 -2.953 9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.088 -5.571 9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.345 -5.609 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.401 -5.401 12.695 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.968 -6.424 11.370 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.479 -2.459 7.395 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.122 -1.841 7.262 1.00 0.00 C ATOM 1261 C GLY A 90 -3.232 -0.595 6.376 1.00 0.00 C ATOM 1262 O GLY A 90 -2.266 -0.134 5.803 1.00 0.00 O ATOM 0 H GLY A 90 -5.088 -2.343 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.731 -1.573 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.423 -2.555 6.825 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.424 -0.086 6.226 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.650 1.086 5.344 1.00 0.00 C ATOM 1268 C PHE A 91 -5.094 2.338 6.096 1.00 0.00 C ATOM 1269 O PHE A 91 -4.585 3.391 5.813 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.680 0.680 4.325 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.924 0.298 3.097 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.372 -0.976 2.970 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.745 1.234 2.099 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.643 -1.300 1.824 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -4.023 0.924 0.954 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.469 -0.349 0.810 1.00 0.00 C ATOM 0 H PHE A 91 -5.262 -0.441 6.686 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.706 1.361 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.279 -0.155 4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.368 1.500 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.507 -1.708 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.172 2.220 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.213 -2.285 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.891 1.664 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.909 -0.600 -0.079 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.976 2.244 7.055 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.382 3.444 7.792 1.00 0.00 C ATOM 1288 C PRO A 92 -5.234 3.882 8.705 1.00 0.00 C ATOM 1289 O PRO A 92 -5.421 4.623 9.650 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.627 2.999 8.564 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.557 1.458 8.649 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.619 0.999 7.517 1.00 0.00 C ATOM 0 HA PRO A 92 -6.606 4.307 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.646 3.443 9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.536 3.319 8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.177 1.140 9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.548 1.018 8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.883 0.280 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.172 0.514 6.713 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.036 3.432 8.409 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.863 3.813 9.221 1.00 0.00 C ATOM 1302 C LYS A 93 -2.057 4.866 8.475 1.00 0.00 C ATOM 1303 O LYS A 93 -2.311 5.176 7.315 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.999 2.572 9.458 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.957 2.867 10.540 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.413 1.553 11.100 1.00 0.00 C ATOM 1307 CE LYS A 93 -1.265 1.115 12.291 1.00 0.00 C ATOM 1308 NZ LYS A 93 -0.791 -0.209 12.780 1.00 0.00 N ATOM 0 H LYS A 93 -3.831 2.810 7.627 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.187 4.220 10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.626 1.734 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.503 2.280 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.143 3.461 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.405 3.457 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.425 0.784 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.625 1.679 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.200 1.854 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.313 1.053 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.370 -0.508 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.875 -0.911 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.204 -0.135 13.074 1.00 0.00 H new ATOM 1322 N THR A 94 -1.083 5.411 9.131 1.00 0.00 N ATOM 1323 CA THR A 94 -0.243 6.435 8.489 1.00 0.00 C ATOM 1324 C THR A 94 1.213 6.028 8.599 1.00 0.00 C ATOM 1325 O THR A 94 1.700 5.699 9.663 1.00 0.00 O ATOM 1326 CB THR A 94 -0.450 7.771 9.193 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.842 8.035 9.298 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.231 8.871 8.390 1.00 0.00 C ATOM 0 H THR A 94 -0.833 5.186 10.094 1.00 0.00 H new ATOM 0 HA THR A 94 -0.518 6.530 7.439 1.00 0.00 H new ATOM 0 HB THR A 94 -0.017 7.736 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.979 8.893 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.086 9.829 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.298 8.659 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.202 8.913 7.391 1.00 0.00 H new ATOM 1336 N VAL A 95 1.923 6.069 7.515 1.00 0.00 N ATOM 1337 CA VAL A 95 3.360 5.703 7.585 1.00 0.00 C ATOM 1338 C VAL A 95 4.163 6.998 7.668 1.00 0.00 C ATOM 1339 O VAL A 95 3.690 8.046 7.278 1.00 0.00 O ATOM 1340 CB VAL A 95 3.759 4.862 6.365 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.260 4.928 6.127 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.396 3.405 6.622 1.00 0.00 C ATOM 0 H VAL A 95 1.578 6.336 6.593 1.00 0.00 H new ATOM 0 HA VAL A 95 3.563 5.092 8.465 1.00 0.00 H new ATOM 0 HB VAL A 95 3.233 5.255 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.517 4.324 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.555 5.962 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.784 4.545 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.677 2.802 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.929 3.047 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.322 3.322 6.789 1.00 0.00 H new ATOM 1352 N THR A 96 5.340 6.967 8.227 1.00 0.00 N ATOM 1353 CA THR A 96 6.089 8.244 8.378 1.00 0.00 C ATOM 1354 C THR A 96 7.449 8.226 7.676 1.00 0.00 C ATOM 1355 O THR A 96 8.178 7.254 7.694 1.00 0.00 O ATOM 1356 CB THR A 96 6.303 8.522 9.867 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.086 8.297 10.567 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.743 9.974 10.059 1.00 0.00 C ATOM 0 H THR A 96 5.808 6.132 8.579 1.00 0.00 H new ATOM 0 HA THR A 96 5.492 9.026 7.908 1.00 0.00 H new ATOM 0 HB THR A 96 7.075 7.857 10.255 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.220 8.473 11.522 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.895 10.171 11.120 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.675 10.146 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.973 10.642 9.673 1.00 0.00 H new ATOM 1366 N VAL A 97 7.790 9.347 7.105 1.00 0.00 N ATOM 1367 CA VAL A 97 9.103 9.532 6.427 1.00 0.00 C ATOM 1368 C VAL A 97 9.686 10.855 6.934 1.00 0.00 C ATOM 1369 O VAL A 97 9.001 11.858 6.992 1.00 0.00 O ATOM 1370 CB VAL A 97 8.917 9.574 4.905 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.057 10.347 4.278 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.977 8.161 4.330 1.00 0.00 C ATOM 0 H VAL A 97 7.190 10.172 7.080 1.00 0.00 H new ATOM 0 HA VAL A 97 9.775 8.704 6.650 1.00 0.00 H new ATOM 0 HB VAL A 97 7.955 10.040 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.925 10.377 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.066 11.364 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.002 9.858 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.844 8.202 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.945 7.716 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.185 7.555 4.770 1.00 0.00 H new ATOM 1382 N LYS A 98 10.928 10.868 7.333 1.00 0.00 N ATOM 1383 CA LYS A 98 11.501 12.137 7.876 1.00 0.00 C ATOM 1384 C LYS A 98 12.756 12.595 7.112 1.00 0.00 C ATOM 1385 O LYS A 98 12.753 13.668 6.542 1.00 0.00 O ATOM 1386 CB LYS A 98 11.842 11.973 9.367 1.00 0.00 C ATOM 1387 CG LYS A 98 11.511 10.553 9.844 1.00 0.00 C ATOM 1388 CD LYS A 98 12.182 10.294 11.194 1.00 0.00 C ATOM 1389 CE LYS A 98 11.489 9.124 11.894 1.00 0.00 C ATOM 1390 NZ LYS A 98 10.929 9.585 13.198 1.00 0.00 N ATOM 0 H LYS A 98 11.564 10.071 7.309 1.00 0.00 H new ATOM 0 HA LYS A 98 10.738 12.905 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.900 12.179 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.282 12.700 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.432 10.431 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.854 9.823 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.239 10.070 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.128 11.187 11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.692 8.729 11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.198 8.312 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.458 8.789 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.699 9.942 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.240 10.346 13.030 1.00 0.00 H new ATOM 1404 N PRO A 99 13.809 11.810 7.147 1.00 0.00 N ATOM 1405 CA PRO A 99 15.075 12.187 6.489 1.00 0.00 C ATOM 1406 C PRO A 99 15.010 12.028 4.966 1.00 0.00 C ATOM 1407 O PRO A 99 15.619 11.142 4.403 1.00 0.00 O ATOM 1408 CB PRO A 99 16.098 11.223 7.095 1.00 0.00 C ATOM 1409 CG PRO A 99 15.299 10.012 7.623 1.00 0.00 C ATOM 1410 CD PRO A 99 13.849 10.494 7.822 1.00 0.00 C ATOM 0 HA PRO A 99 15.321 13.237 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.827 10.911 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.653 11.703 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.338 9.184 6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.719 9.650 8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.134 9.799 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.600 10.581 8.880 1.00 0.00 H new ATOM 1418 N ALA A 100 14.306 12.897 4.290 1.00 0.00 N ATOM 1419 CA ALA A 100 14.250 12.797 2.803 1.00 0.00 C ATOM 1420 C ALA A 100 15.506 13.447 2.205 1.00 0.00 C ATOM 1421 O ALA A 100 16.157 12.861 1.364 1.00 0.00 O ATOM 1422 CB ALA A 100 12.999 13.500 2.261 1.00 0.00 C ATOM 0 H ALA A 100 13.772 13.664 4.698 1.00 0.00 H new ATOM 0 HA ALA A 100 14.206 11.745 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.976 13.416 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.108 13.032 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.022 14.553 2.543 1.00 0.00 H new TER 1428 ALA A 100