USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 538 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 89 THR OG1 : rot 79:sc= 0.266 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.61 K(o=0.88,f=-7.6!) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 TYR OH : rot -50:sc= 1.12 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -127:sc= 2.47 (180deg=0.518) USER MOD Set 3.2: A 73 TYR OH : rot -109:sc= 2.18 USER MOD Single : A 2 THR OG1 : rot 40:sc= 0.294 USER MOD Single : A 3 TYR OH : rot 118:sc= 0.083 USER MOD Single : A 4 ASN : amide:sc= 0.856 K(o=0.86,f=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.087) USER MOD Single : A 18 CYS SG : rot 99:sc= -1.99! USER MOD Single : A 27 GLN : amide:sc= 1.2 K(o=1.2,f=-0.56) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00574 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.53 X(o=-2.5,f=-2.6) USER MOD Single : A 59 SER OG : rot -23:sc= 0.0483 USER MOD Single : A 68 GLN : amide:sc= -0.481 K(o=-0.48,f=-4.2!) USER MOD Single : A 69 MET CE :methyl 154:sc= -0.0204 (180deg=-0.224) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 20:sc= 0.944 USER MOD Single : A 91 LYS NZ :NH3+ -135:sc= 1.03 (180deg=-0.576) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 14.694 -4.724 -1.612 1.00 0.00 N ATOM 13 CA THR A 2 13.985 -5.223 -2.784 1.00 0.00 C ATOM 14 C THR A 2 13.164 -6.487 -2.500 1.00 0.00 C ATOM 15 O THR A 2 13.487 -7.585 -2.958 1.00 0.00 O ATOM 16 CB THR A 2 14.976 -5.335 -3.956 1.00 0.00 C ATOM 17 OG1 THR A 2 15.693 -4.123 -4.071 1.00 0.00 O ATOM 18 CG2 THR A 2 14.285 -5.567 -5.300 1.00 0.00 C ATOM 0 HA THR A 2 13.217 -4.507 -3.078 1.00 0.00 H new ATOM 0 HB THR A 2 15.620 -6.187 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.907 -3.784 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.035 -5.637 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.713 -6.494 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.613 -4.735 -5.512 1.00 0.00 H new ATOM 26 N TYR A 3 12.073 -6.305 -1.754 1.00 0.00 N ATOM 27 CA TYR A 3 11.253 -7.390 -1.233 1.00 0.00 C ATOM 28 C TYR A 3 10.096 -7.707 -2.163 1.00 0.00 C ATOM 29 O TYR A 3 9.755 -6.915 -3.035 1.00 0.00 O ATOM 30 CB TYR A 3 10.687 -7.011 0.133 1.00 0.00 C ATOM 31 CG TYR A 3 11.744 -6.606 1.125 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.733 -7.522 1.525 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.758 -5.296 1.619 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.750 -7.110 2.401 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.710 -4.930 2.576 1.00 0.00 C ATOM 36 CZ TYR A 3 13.695 -5.836 2.984 1.00 0.00 C ATOM 37 OH TYR A 3 14.765 -5.375 3.689 1.00 0.00 O ATOM 0 H TYR A 3 11.732 -5.380 -1.492 1.00 0.00 H new ATOM 0 HA TYR A 3 11.892 -8.269 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.980 -6.190 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.128 -7.856 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.710 -8.538 1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.039 -4.573 1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.573 -7.773 2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.685 -3.939 3.004 1.00 0.00 H new ATOM 0 HH TYR A 3 15.117 -4.568 3.259 1.00 0.00 H new ATOM 47 N ASN A 4 9.491 -8.872 -1.948 1.00 0.00 N ATOM 48 CA ASN A 4 8.365 -9.379 -2.705 1.00 0.00 C ATOM 49 C ASN A 4 7.078 -8.862 -2.080 1.00 0.00 C ATOM 50 O ASN A 4 6.522 -9.512 -1.195 1.00 0.00 O ATOM 51 CB ASN A 4 8.426 -10.902 -2.631 1.00 0.00 C ATOM 52 CG ASN A 4 7.377 -11.573 -3.494 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.667 -12.045 -4.588 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.170 -11.629 -2.964 1.00 0.00 N ATOM 0 H ASN A 4 9.789 -9.510 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 4 8.395 -9.053 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.415 -11.237 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.294 -11.217 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.411 -12.086 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.996 -11.216 -2.048 1.00 0.00 H new ATOM 61 N VAL A 5 6.607 -7.697 -2.516 1.00 0.00 N ATOM 62 CA VAL A 5 5.388 -7.135 -1.968 1.00 0.00 C ATOM 63 C VAL A 5 4.210 -7.696 -2.747 1.00 0.00 C ATOM 64 O VAL A 5 4.147 -7.531 -3.967 1.00 0.00 O ATOM 65 CB VAL A 5 5.402 -5.608 -2.026 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.121 -5.051 -1.382 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.634 -5.066 -1.297 1.00 0.00 C ATOM 0 H VAL A 5 7.050 -7.132 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 5 5.303 -7.410 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 5 5.443 -5.292 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.136 -3.962 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.251 -5.424 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.068 -5.372 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.635 -3.977 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.609 -5.384 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.536 -5.450 -1.772 1.00 0.00 H new ATOM 77 N LYS A 6 3.277 -8.343 -2.047 1.00 0.00 N ATOM 78 CA LYS A 6 2.058 -8.816 -2.667 1.00 0.00 C ATOM 79 C LYS A 6 0.951 -7.796 -2.515 1.00 0.00 C ATOM 80 O LYS A 6 0.618 -7.407 -1.395 1.00 0.00 O ATOM 81 CB LYS A 6 1.653 -10.169 -2.105 1.00 0.00 C ATOM 82 CG LYS A 6 0.478 -10.729 -2.916 1.00 0.00 C ATOM 83 CD LYS A 6 -0.136 -11.964 -2.275 1.00 0.00 C ATOM 84 CE LYS A 6 0.918 -12.986 -1.847 1.00 0.00 C ATOM 85 NZ LYS A 6 0.306 -14.315 -1.675 1.00 0.00 N ATOM 0 H LYS A 6 3.351 -8.547 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 6 2.243 -8.948 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.497 -10.858 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.371 -10.070 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.287 -9.959 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.820 -10.977 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.722 -11.665 -1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.825 -12.430 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.709 -13.037 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.383 -12.669 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.035 -14.998 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.433 -14.265 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.117 -14.622 -2.574 1.00 0.00 H new ATOM 99 N LEU A 7 0.370 -7.424 -3.658 1.00 0.00 N ATOM 100 CA LEU A 7 -0.781 -6.561 -3.741 1.00 0.00 C ATOM 101 C LEU A 7 -1.978 -7.411 -4.108 1.00 0.00 C ATOM 102 O LEU A 7 -2.143 -7.724 -5.279 1.00 0.00 O ATOM 103 CB LEU A 7 -0.490 -5.425 -4.733 1.00 0.00 C ATOM 104 CG LEU A 7 0.673 -4.519 -4.296 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.680 -3.206 -5.083 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.661 -4.180 -2.810 1.00 0.00 C ATOM 0 H LEU A 7 0.707 -7.731 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.007 -6.079 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.261 -5.854 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.388 -4.819 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 7 1.572 -5.100 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.514 -2.587 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.788 -3.420 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.256 -2.675 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.511 -3.538 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.265 -3.661 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.729 -5.098 -2.227 1.00 0.00 H new ATOM 118 N ILE A 8 -2.793 -7.800 -3.118 1.00 0.00 N ATOM 119 CA ILE A 8 -4.035 -8.514 -3.355 1.00 0.00 C ATOM 120 C ILE A 8 -5.021 -7.488 -3.910 1.00 0.00 C ATOM 121 O ILE A 8 -5.689 -6.757 -3.180 1.00 0.00 O ATOM 122 CB ILE A 8 -4.487 -9.248 -2.079 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.494 -10.348 -1.676 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.905 -9.822 -2.221 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.534 -10.652 -0.178 1.00 0.00 C ATOM 0 H ILE A 8 -2.601 -7.624 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.937 -9.315 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.508 -8.505 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.718 -11.257 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.485 -10.043 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.185 -10.332 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.608 -9.012 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.930 -10.530 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.813 -11.436 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.283 -9.752 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.534 -10.985 0.099 1.00 0.00 H new ATOM 137 N THR A 9 -5.023 -7.366 -5.231 1.00 0.00 N ATOM 138 CA THR A 9 -5.905 -6.519 -5.993 1.00 0.00 C ATOM 139 C THR A 9 -7.156 -7.326 -6.352 1.00 0.00 C ATOM 140 O THR A 9 -7.068 -8.553 -6.464 1.00 0.00 O ATOM 141 CB THR A 9 -5.155 -6.125 -7.263 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.673 -7.305 -7.880 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.899 -5.301 -6.976 1.00 0.00 C ATOM 0 H THR A 9 -4.373 -7.885 -5.821 1.00 0.00 H new ATOM 0 HA THR A 9 -6.202 -5.631 -5.436 1.00 0.00 H new ATOM 0 HB THR A 9 -5.853 -5.550 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.189 -7.071 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.406 -5.049 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.176 -4.385 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.218 -5.881 -6.353 1.00 0.00 H new ATOM 151 N PRO A 10 -8.293 -6.663 -6.607 1.00 0.00 N ATOM 152 CA PRO A 10 -9.558 -7.312 -6.893 1.00 0.00 C ATOM 153 C PRO A 10 -9.523 -8.131 -8.191 1.00 0.00 C ATOM 154 O PRO A 10 -10.322 -9.046 -8.366 1.00 0.00 O ATOM 155 CB PRO A 10 -10.620 -6.221 -6.912 1.00 0.00 C ATOM 156 CG PRO A 10 -9.895 -4.898 -6.770 1.00 0.00 C ATOM 157 CD PRO A 10 -8.423 -5.223 -6.651 1.00 0.00 C ATOM 0 HA PRO A 10 -9.788 -8.047 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.189 -6.252 -7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.332 -6.361 -6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.082 -4.259 -7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.245 -4.357 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.871 -4.815 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.004 -4.773 -5.751 1.00 0.00 H new ATOM 165 N ASP A 11 -8.577 -7.814 -9.080 1.00 0.00 N ATOM 166 CA ASP A 11 -8.279 -8.560 -10.295 1.00 0.00 C ATOM 167 C ASP A 11 -7.831 -9.982 -9.964 1.00 0.00 C ATOM 168 O ASP A 11 -8.015 -10.901 -10.759 1.00 0.00 O ATOM 169 CB ASP A 11 -7.160 -7.833 -11.054 1.00 0.00 C ATOM 170 CG ASP A 11 -7.731 -6.815 -12.028 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.239 -7.256 -13.081 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.660 -5.616 -11.685 1.00 0.00 O ATOM 0 H ASP A 11 -7.977 -6.997 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.179 -8.620 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.501 -7.332 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.553 -8.558 -11.596 1.00 0.00 H new ATOM 177 N GLY A 12 -7.220 -10.145 -8.791 1.00 0.00 N ATOM 178 CA GLY A 12 -6.711 -11.401 -8.291 1.00 0.00 C ATOM 179 C GLY A 12 -5.196 -11.329 -8.152 1.00 0.00 C ATOM 180 O GLY A 12 -4.483 -12.091 -8.803 1.00 0.00 O ATOM 0 H GLY A 12 -7.065 -9.370 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.163 -11.628 -7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.985 -12.210 -8.969 1.00 0.00 H new ATOM 184 N GLU A 13 -4.734 -10.414 -7.291 1.00 0.00 N ATOM 185 CA GLU A 13 -3.338 -10.230 -6.921 1.00 0.00 C ATOM 186 C GLU A 13 -2.477 -9.757 -8.094 1.00 0.00 C ATOM 187 O GLU A 13 -2.926 -9.683 -9.236 1.00 0.00 O ATOM 188 CB GLU A 13 -2.779 -11.502 -6.280 1.00 0.00 C ATOM 189 CG GLU A 13 -3.421 -11.836 -4.929 1.00 0.00 C ATOM 190 CD GLU A 13 -3.350 -13.322 -4.580 1.00 0.00 C ATOM 191 OE1 GLU A 13 -4.151 -14.073 -5.172 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.520 -13.681 -3.711 1.00 0.00 O ATOM 0 H GLU A 13 -5.354 -9.757 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.300 -9.432 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.928 -12.339 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.703 -11.389 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.925 -11.262 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.465 -11.522 -4.942 1.00 0.00 H new ATOM 199 N VAL A 14 -1.216 -9.431 -7.795 1.00 0.00 N ATOM 200 CA VAL A 14 -0.232 -9.127 -8.824 1.00 0.00 C ATOM 201 C VAL A 14 1.174 -9.558 -8.405 1.00 0.00 C ATOM 202 O VAL A 14 1.796 -10.357 -9.099 1.00 0.00 O ATOM 203 CB VAL A 14 -0.371 -7.661 -9.260 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.300 -6.642 -8.128 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.622 -7.310 -10.367 1.00 0.00 C ATOM 0 H VAL A 14 -0.857 -9.372 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.428 -9.721 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.386 -7.588 -9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.408 -5.637 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.103 -6.833 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.662 -6.727 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.496 -6.265 -10.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.639 -7.468 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.441 -7.946 -11.233 1.00 0.00 H new ATOM 215 N GLU A 15 1.631 -9.069 -7.249 1.00 0.00 N ATOM 216 CA GLU A 15 2.942 -9.343 -6.666 1.00 0.00 C ATOM 217 C GLU A 15 4.055 -8.654 -7.457 1.00 0.00 C ATOM 218 O GLU A 15 4.075 -8.694 -8.685 1.00 0.00 O ATOM 219 CB GLU A 15 3.164 -10.861 -6.500 1.00 0.00 C ATOM 220 CG GLU A 15 3.613 -11.243 -5.090 1.00 0.00 C ATOM 221 CD GLU A 15 3.477 -12.726 -4.765 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.721 -13.427 -5.467 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.079 -13.116 -3.742 1.00 0.00 O ATOM 0 H GLU A 15 1.070 -8.444 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 15 2.974 -8.915 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.239 -11.387 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.913 -11.195 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.655 -10.950 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.030 -10.671 -4.369 1.00 0.00 H new ATOM 230 N PHE A 16 4.969 -7.977 -6.759 1.00 0.00 N ATOM 231 CA PHE A 16 6.050 -7.257 -7.412 1.00 0.00 C ATOM 232 C PHE A 16 7.206 -6.997 -6.457 1.00 0.00 C ATOM 233 O PHE A 16 7.078 -7.200 -5.247 1.00 0.00 O ATOM 234 CB PHE A 16 5.550 -5.990 -8.090 1.00 0.00 C ATOM 235 CG PHE A 16 5.378 -4.838 -7.147 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.460 -4.926 -6.090 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.319 -3.799 -7.176 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.400 -3.904 -5.139 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.269 -2.792 -6.213 1.00 0.00 C ATOM 240 CZ PHE A 16 5.281 -2.814 -5.218 1.00 0.00 C ATOM 0 H PHE A 16 4.977 -7.916 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 16 6.442 -7.895 -8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.251 -5.706 -8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.596 -6.198 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.803 -5.779 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.080 -3.779 -7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.674 -3.953 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.994 -1.992 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.198 -1.997 -4.517 1.00 0.00 H new ATOM 250 N LYS A 17 8.348 -6.587 -7.016 1.00 0.00 N ATOM 251 CA LYS A 17 9.535 -6.300 -6.243 1.00 0.00 C ATOM 252 C LYS A 17 9.568 -4.827 -5.863 1.00 0.00 C ATOM 253 O LYS A 17 9.426 -3.959 -6.716 1.00 0.00 O ATOM 254 CB LYS A 17 10.792 -6.760 -6.995 1.00 0.00 C ATOM 255 CG LYS A 17 11.616 -7.699 -6.107 1.00 0.00 C ATOM 256 CD LYS A 17 10.837 -8.978 -5.753 1.00 0.00 C ATOM 257 CE LYS A 17 11.431 -10.242 -6.381 1.00 0.00 C ATOM 258 NZ LYS A 17 12.777 -10.542 -5.846 1.00 0.00 N ATOM 0 H LYS A 17 8.464 -6.448 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 17 9.512 -6.865 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.509 -7.271 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.392 -5.896 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.540 -7.966 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.898 -7.179 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.816 -9.094 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.804 -8.868 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.769 -11.087 -6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.489 -10.117 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.032 -11.523 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.471 -9.895 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.775 -10.419 -4.813 1.00 0.00 H new ATOM 272 N CYS A 18 9.739 -4.546 -4.574 1.00 0.00 N ATOM 273 CA CYS A 18 9.723 -3.188 -4.060 1.00 0.00 C ATOM 274 C CYS A 18 10.913 -2.946 -3.143 1.00 0.00 C ATOM 275 O CYS A 18 11.086 -3.643 -2.139 1.00 0.00 O ATOM 276 CB CYS A 18 8.397 -2.917 -3.373 1.00 0.00 C ATOM 277 SG CYS A 18 8.171 -1.122 -3.327 1.00 0.00 S ATOM 0 H CYS A 18 9.892 -5.257 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 18 9.818 -2.484 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.580 -3.393 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.395 -3.330 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 18 7.395 -0.757 -4.304 1.00 0.00 H new ATOM 283 N ASP A 19 11.767 -2.003 -3.542 1.00 0.00 N ATOM 284 CA ASP A 19 12.934 -1.531 -2.821 1.00 0.00 C ATOM 285 C ASP A 19 12.497 -1.035 -1.445 1.00 0.00 C ATOM 286 O ASP A 19 11.404 -0.499 -1.291 1.00 0.00 O ATOM 287 CB ASP A 19 13.626 -0.394 -3.592 1.00 0.00 C ATOM 288 CG ASP A 19 13.738 -0.601 -5.103 1.00 0.00 C ATOM 289 OD1 ASP A 19 12.691 -0.904 -5.725 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.860 -0.429 -5.620 1.00 0.00 O ATOM 0 H ASP A 19 11.649 -1.523 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 19 13.645 -2.350 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.080 0.532 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.628 -0.259 -3.185 1.00 0.00 H new ATOM 295 N ASP A 20 13.363 -1.159 -0.444 1.00 0.00 N ATOM 296 CA ASP A 20 13.092 -0.651 0.892 1.00 0.00 C ATOM 297 C ASP A 20 13.245 0.867 0.978 1.00 0.00 C ATOM 298 O ASP A 20 12.858 1.454 1.986 1.00 0.00 O ATOM 299 CB ASP A 20 13.918 -1.410 1.941 1.00 0.00 C ATOM 300 CG ASP A 20 15.332 -1.800 1.563 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.800 -1.399 0.477 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.856 -2.693 2.273 1.00 0.00 O ATOM 0 H ASP A 20 14.271 -1.614 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 20 12.043 -0.842 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.966 -0.796 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.376 -2.319 2.204 1.00 0.00 H new ATOM 307 N ASP A 21 13.728 1.497 -0.098 1.00 0.00 N ATOM 308 CA ASP A 21 13.824 2.940 -0.259 1.00 0.00 C ATOM 309 C ASP A 21 12.945 3.400 -1.435 1.00 0.00 C ATOM 310 O ASP A 21 13.315 4.331 -2.148 1.00 0.00 O ATOM 311 CB ASP A 21 15.300 3.331 -0.467 1.00 0.00 C ATOM 312 CG ASP A 21 16.128 3.273 0.811 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.760 3.996 1.762 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.148 2.550 0.798 1.00 0.00 O ATOM 0 H ASP A 21 14.076 0.988 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 21 13.459 3.440 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.743 2.666 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.347 4.340 -0.876 1.00 0.00 H new ATOM 319 N VAL A 22 11.773 2.784 -1.654 1.00 0.00 N ATOM 320 CA VAL A 22 10.832 3.245 -2.678 1.00 0.00 C ATOM 321 C VAL A 22 9.383 3.007 -2.243 1.00 0.00 C ATOM 322 O VAL A 22 9.128 2.242 -1.315 1.00 0.00 O ATOM 323 CB VAL A 22 11.168 2.588 -4.031 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.493 1.224 -4.210 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.783 3.472 -5.217 1.00 0.00 C ATOM 0 H VAL A 22 11.457 1.965 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 22 10.935 4.323 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 22 12.249 2.452 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.765 0.808 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.822 0.549 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.411 1.344 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.040 2.965 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.711 3.666 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.324 4.417 -5.157 1.00 0.00 H new ATOM 335 N TYR A 23 8.435 3.673 -2.915 1.00 0.00 N ATOM 336 CA TYR A 23 7.018 3.594 -2.598 1.00 0.00 C ATOM 337 C TYR A 23 6.365 2.348 -3.206 1.00 0.00 C ATOM 338 O TYR A 23 6.603 2.041 -4.376 1.00 0.00 O ATOM 339 CB TYR A 23 6.297 4.851 -3.094 1.00 0.00 C ATOM 340 CG TYR A 23 6.798 6.146 -2.492 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.575 6.400 -1.129 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.441 7.116 -3.286 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.898 7.649 -0.586 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.801 8.356 -2.724 1.00 0.00 C ATOM 345 CZ TYR A 23 7.498 8.636 -1.381 1.00 0.00 C ATOM 346 OH TYR A 23 7.837 9.836 -0.831 1.00 0.00 O ATOM 0 H TYR A 23 8.641 4.287 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 23 6.928 3.522 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.397 4.907 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.233 4.753 -2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.154 5.631 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.657 6.909 -4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.684 7.854 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.311 9.093 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 23 8.243 10.407 -1.516 1.00 0.00 H new ATOM 356 N VAL A 24 5.461 1.689 -2.466 1.00 0.00 N ATOM 357 CA VAL A 24 4.712 0.531 -2.976 1.00 0.00 C ATOM 358 C VAL A 24 3.785 0.874 -4.157 1.00 0.00 C ATOM 359 O VAL A 24 3.208 -0.030 -4.748 1.00 0.00 O ATOM 360 CB VAL A 24 3.927 -0.214 -1.866 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.645 -1.680 -2.222 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.656 -0.269 -0.524 1.00 0.00 C ATOM 0 H VAL A 24 5.230 1.941 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 24 5.478 -0.146 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 24 3.011 0.371 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.093 -2.152 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.053 -1.725 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.588 -2.205 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.044 -0.806 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.608 -0.785 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.837 0.745 -0.166 1.00 0.00 H new ATOM 372 N LEU A 25 3.622 2.154 -4.506 1.00 0.00 N ATOM 373 CA LEU A 25 2.892 2.606 -5.692 1.00 0.00 C ATOM 374 C LEU A 25 3.859 2.890 -6.849 1.00 0.00 C ATOM 375 O LEU A 25 3.535 2.624 -8.002 1.00 0.00 O ATOM 376 CB LEU A 25 2.005 3.801 -5.292 1.00 0.00 C ATOM 377 CG LEU A 25 1.731 4.875 -6.364 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.417 5.607 -6.067 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.835 5.944 -6.388 1.00 0.00 C ATOM 0 H LEU A 25 4.005 2.923 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 25 2.230 1.826 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.045 3.409 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.468 4.291 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 25 1.688 4.353 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.239 6.361 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.405 4.892 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.482 6.089 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.608 6.684 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.888 6.434 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.793 5.473 -6.610 1.00 0.00 H new ATOM 391 N ASP A 26 5.057 3.394 -6.546 1.00 0.00 N ATOM 392 CA ASP A 26 5.995 3.891 -7.545 1.00 0.00 C ATOM 393 C ASP A 26 6.525 2.738 -8.387 1.00 0.00 C ATOM 394 O ASP A 26 6.162 2.554 -9.551 1.00 0.00 O ATOM 395 CB ASP A 26 7.119 4.622 -6.805 1.00 0.00 C ATOM 396 CG ASP A 26 8.210 5.168 -7.709 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.916 5.385 -8.900 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.309 5.404 -7.162 1.00 0.00 O ATOM 0 H ASP A 26 5.403 3.468 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 26 5.506 4.583 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.688 5.446 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.568 3.939 -6.085 1.00 0.00 H new ATOM 403 N GLN A 27 7.337 1.900 -7.742 1.00 0.00 N ATOM 404 CA GLN A 27 7.941 0.753 -8.378 1.00 0.00 C ATOM 405 C GLN A 27 6.834 -0.181 -8.897 1.00 0.00 C ATOM 406 O GLN A 27 6.945 -0.780 -9.959 1.00 0.00 O ATOM 407 CB GLN A 27 8.873 0.126 -7.338 1.00 0.00 C ATOM 408 CG GLN A 27 9.661 -1.080 -7.841 1.00 0.00 C ATOM 409 CD GLN A 27 10.778 -0.704 -8.807 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.549 -0.546 -10.001 1.00 0.00 O ATOM 411 NE2 GLN A 27 12.002 -0.551 -8.309 1.00 0.00 N ATOM 0 H GLN A 27 7.589 2.008 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 27 8.535 1.003 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.575 0.885 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.281 -0.177 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.088 -1.608 -6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.979 -1.772 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.168 -0.688 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.775 -0.297 -8.924 1.00 0.00 H new ATOM 420 N ALA A 28 5.722 -0.261 -8.165 1.00 0.00 N ATOM 421 CA ALA A 28 4.508 -0.931 -8.608 1.00 0.00 C ATOM 422 C ALA A 28 4.087 -0.501 -10.015 1.00 0.00 C ATOM 423 O ALA A 28 4.018 -1.336 -10.921 1.00 0.00 O ATOM 424 CB ALA A 28 3.403 -0.649 -7.596 1.00 0.00 C ATOM 0 H ALA A 28 5.643 0.146 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 28 4.700 -2.003 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.485 -1.144 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.700 -1.027 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.233 0.426 -7.533 1.00 0.00 H new ATOM 430 N GLU A 29 3.777 0.785 -10.202 1.00 0.00 N ATOM 431 CA GLU A 29 3.416 1.290 -11.520 1.00 0.00 C ATOM 432 C GLU A 29 4.526 0.958 -12.523 1.00 0.00 C ATOM 433 O GLU A 29 4.219 0.521 -13.631 1.00 0.00 O ATOM 434 CB GLU A 29 3.103 2.794 -11.489 1.00 0.00 C ATOM 435 CG GLU A 29 1.710 3.095 -10.910 1.00 0.00 C ATOM 436 CD GLU A 29 1.352 4.573 -11.042 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.190 5.018 -12.201 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.252 5.246 -9.993 1.00 0.00 O ATOM 0 H GLU A 29 3.770 1.486 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 29 2.500 0.795 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.859 3.307 -10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.167 3.196 -12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.963 2.492 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.682 2.806 -9.859 1.00 0.00 H new ATOM 445 N GLU A 30 5.801 1.089 -12.129 1.00 0.00 N ATOM 446 CA GLU A 30 6.923 0.669 -12.971 1.00 0.00 C ATOM 447 C GLU A 30 6.788 -0.775 -13.466 1.00 0.00 C ATOM 448 O GLU A 30 7.149 -1.064 -14.606 1.00 0.00 O ATOM 449 CB GLU A 30 8.284 0.955 -12.317 1.00 0.00 C ATOM 450 CG GLU A 30 8.516 2.451 -12.039 1.00 0.00 C ATOM 451 CD GLU A 30 9.184 3.154 -13.215 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.412 2.971 -13.360 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.460 3.848 -13.962 1.00 0.00 O ATOM 0 H GLU A 30 6.078 1.484 -11.230 1.00 0.00 H new ATOM 0 HA GLU A 30 6.882 1.289 -13.866 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.354 0.402 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.078 0.584 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.562 2.932 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.137 2.562 -11.150 1.00 0.00 H new ATOM 460 N GLU A 31 6.248 -1.681 -12.648 1.00 0.00 N ATOM 461 CA GLU A 31 6.066 -3.070 -13.067 1.00 0.00 C ATOM 462 C GLU A 31 4.803 -3.218 -13.911 1.00 0.00 C ATOM 463 O GLU A 31 4.723 -4.096 -14.769 1.00 0.00 O ATOM 464 CB GLU A 31 6.013 -4.004 -11.855 1.00 0.00 C ATOM 465 CG GLU A 31 7.161 -3.678 -10.890 1.00 0.00 C ATOM 466 CD GLU A 31 8.036 -4.868 -10.480 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.673 -6.020 -10.806 1.00 0.00 O ATOM 468 OE2 GLU A 31 9.025 -4.632 -9.758 1.00 0.00 O ATOM 0 H GLU A 31 5.932 -1.479 -11.699 1.00 0.00 H new ATOM 0 HA GLU A 31 6.924 -3.352 -13.678 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.056 -3.896 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.085 -5.041 -12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.798 -2.923 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.740 -3.232 -9.989 1.00 0.00 H new ATOM 475 N GLY A 32 3.810 -2.372 -13.635 1.00 0.00 N ATOM 476 CA GLY A 32 2.525 -2.357 -14.318 1.00 0.00 C ATOM 477 C GLY A 32 1.355 -2.439 -13.341 1.00 0.00 C ATOM 478 O GLY A 32 0.217 -2.611 -13.771 1.00 0.00 O ATOM 0 H GLY A 32 3.884 -1.660 -12.909 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.440 -1.445 -14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.475 -3.194 -15.014 1.00 0.00 H new ATOM 482 N ILE A 33 1.603 -2.338 -12.032 1.00 0.00 N ATOM 483 CA ILE A 33 0.513 -2.367 -11.061 1.00 0.00 C ATOM 484 C ILE A 33 -0.327 -1.089 -11.144 1.00 0.00 C ATOM 485 O ILE A 33 0.156 -0.003 -10.834 1.00 0.00 O ATOM 486 CB ILE A 33 1.089 -2.549 -9.658 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.756 -3.925 -9.562 1.00 0.00 C ATOM 488 CG2 ILE A 33 0.051 -2.325 -8.546 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.187 -4.287 -8.146 1.00 0.00 C ATOM 0 H ILE A 33 2.534 -2.237 -11.628 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.144 -3.207 -11.289 1.00 0.00 H new ATOM 0 HB ILE A 33 1.841 -1.777 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.064 -4.683 -9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.628 -3.945 -10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.522 -2.469 -7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.340 -1.310 -8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.766 -3.037 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.652 -5.273 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.903 -3.549 -7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.315 -4.298 -7.492 1.00 0.00 H new ATOM 501 N ASP A 34 -1.612 -1.238 -11.470 1.00 0.00 N ATOM 502 CA ASP A 34 -2.588 -0.158 -11.475 1.00 0.00 C ATOM 503 C ASP A 34 -3.271 -0.075 -10.106 1.00 0.00 C ATOM 504 O ASP A 34 -4.376 -0.580 -9.910 1.00 0.00 O ATOM 505 CB ASP A 34 -3.597 -0.409 -12.602 1.00 0.00 C ATOM 506 CG ASP A 34 -4.376 0.855 -12.946 1.00 0.00 C ATOM 507 OD1 ASP A 34 -3.874 1.605 -13.810 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.460 1.050 -12.359 1.00 0.00 O ATOM 0 H ASP A 34 -2.008 -2.137 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.101 0.800 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.073 -0.767 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.290 -1.195 -12.303 1.00 0.00 H new ATOM 513 N ILE A 35 -2.597 0.505 -9.107 1.00 0.00 N ATOM 514 CA ILE A 35 -3.243 0.777 -7.829 1.00 0.00 C ATOM 515 C ILE A 35 -4.274 1.904 -8.023 1.00 0.00 C ATOM 516 O ILE A 35 -4.148 2.698 -8.951 1.00 0.00 O ATOM 517 CB ILE A 35 -2.185 1.070 -6.736 1.00 0.00 C ATOM 518 CG1 ILE A 35 -2.150 0.017 -5.623 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.173 2.515 -6.214 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.814 -0.006 -4.870 1.00 0.00 C ATOM 0 H ILE A 35 -1.619 0.790 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.787 -0.098 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.234 0.976 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.957 0.214 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.336 -0.967 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.400 2.621 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.967 3.198 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.144 2.753 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.847 -0.770 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.007 -0.231 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.637 0.968 -4.413 1.00 0.00 H new ATOM 682 N ALA A 48 -6.047 3.099 0.428 1.00 0.00 N ATOM 683 CA ALA A 48 -5.528 2.208 1.432 1.00 0.00 C ATOM 684 C ALA A 48 -5.578 0.789 0.901 1.00 0.00 C ATOM 685 O ALA A 48 -6.204 0.503 -0.127 1.00 0.00 O ATOM 686 CB ALA A 48 -6.301 2.347 2.746 1.00 0.00 C ATOM 0 HA ALA A 48 -4.492 2.469 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.887 1.662 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.216 3.370 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.351 2.108 2.578 1.00 0.00 H new ATOM 692 N GLY A 49 -4.921 -0.092 1.646 1.00 0.00 N ATOM 693 CA GLY A 49 -4.980 -1.516 1.514 1.00 0.00 C ATOM 694 C GLY A 49 -5.042 -2.152 2.892 1.00 0.00 C ATOM 695 O GLY A 49 -4.838 -1.464 3.889 1.00 0.00 O ATOM 0 H GLY A 49 -4.299 0.202 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.855 -1.802 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.105 -1.878 0.974 1.00 0.00 H new ATOM 699 N LYS A 50 -5.317 -3.457 2.936 1.00 0.00 N ATOM 700 CA LYS A 50 -5.412 -4.257 4.142 1.00 0.00 C ATOM 701 C LYS A 50 -4.093 -4.998 4.334 1.00 0.00 C ATOM 702 O LYS A 50 -3.792 -5.880 3.539 1.00 0.00 O ATOM 703 CB LYS A 50 -6.589 -5.238 3.990 1.00 0.00 C ATOM 704 CG LYS A 50 -7.282 -5.544 5.322 1.00 0.00 C ATOM 705 CD LYS A 50 -8.796 -5.369 5.181 1.00 0.00 C ATOM 706 CE LYS A 50 -9.415 -5.049 6.544 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.861 -4.765 6.398 1.00 0.00 N ATOM 0 H LYS A 50 -5.486 -4.002 2.090 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.593 -3.634 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.317 -4.820 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.227 -6.168 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.054 -6.563 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.902 -4.880 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.014 -4.567 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.239 -6.278 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.269 -5.889 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.912 -4.190 6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.081 -3.850 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.108 -4.731 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.411 -5.515 6.863 1.00 0.00 H new ATOM 721 N VAL A 51 -3.297 -4.647 5.344 1.00 0.00 N ATOM 722 CA VAL A 51 -2.099 -5.386 5.708 1.00 0.00 C ATOM 723 C VAL A 51 -2.506 -6.812 6.083 1.00 0.00 C ATOM 724 O VAL A 51 -3.018 -7.046 7.175 1.00 0.00 O ATOM 725 CB VAL A 51 -1.381 -4.697 6.892 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.108 -5.455 7.291 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.005 -3.246 6.576 1.00 0.00 C ATOM 0 H VAL A 51 -3.471 -3.834 5.935 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.406 -5.410 4.867 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.091 -4.706 7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.373 -4.945 8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.368 -6.471 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.576 -5.488 6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.503 -2.804 7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.337 -3.223 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.907 -2.677 6.350 1.00 0.00 H new ATOM 737 N VAL A 52 -2.275 -7.772 5.187 1.00 0.00 N ATOM 738 CA VAL A 52 -2.495 -9.181 5.480 1.00 0.00 C ATOM 739 C VAL A 52 -1.342 -9.692 6.339 1.00 0.00 C ATOM 740 O VAL A 52 -1.570 -10.421 7.301 1.00 0.00 O ATOM 741 CB VAL A 52 -2.636 -9.955 4.162 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.337 -11.457 4.267 1.00 0.00 C ATOM 743 CG2 VAL A 52 -4.057 -9.768 3.621 1.00 0.00 C ATOM 0 H VAL A 52 -1.932 -7.592 4.243 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.417 -9.327 6.042 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.884 -9.542 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.462 -11.922 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.312 -11.601 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.025 -11.916 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.165 -10.315 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.776 -10.147 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.243 -8.708 3.446 1.00 0.00 H new ATOM 753 N SER A 53 -0.102 -9.341 5.986 1.00 0.00 N ATOM 754 CA SER A 53 1.064 -9.766 6.747 1.00 0.00 C ATOM 755 C SER A 53 2.270 -8.915 6.382 1.00 0.00 C ATOM 756 O SER A 53 2.211 -8.148 5.426 1.00 0.00 O ATOM 757 CB SER A 53 1.363 -11.244 6.481 1.00 0.00 C ATOM 758 OG SER A 53 2.291 -11.718 7.440 1.00 0.00 O ATOM 0 H SER A 53 0.115 -8.762 5.175 1.00 0.00 H new ATOM 0 HA SER A 53 0.852 -9.637 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.443 -11.827 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.766 -11.369 5.476 1.00 0.00 H new ATOM 0 HG SER A 53 2.481 -12.664 7.271 1.00 0.00 H new ATOM 764 N GLY A 54 3.362 -9.098 7.124 1.00 0.00 N ATOM 765 CA GLY A 54 4.565 -8.281 7.047 1.00 0.00 C ATOM 766 C GLY A 54 4.366 -6.939 7.750 1.00 0.00 C ATOM 767 O GLY A 54 3.355 -6.722 8.416 1.00 0.00 O ATOM 0 H GLY A 54 3.432 -9.844 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.400 -8.814 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.827 -8.112 6.003 1.00 0.00 H new ATOM 771 N SER A 55 5.343 -6.039 7.603 1.00 0.00 N ATOM 772 CA SER A 55 5.293 -4.671 8.098 1.00 0.00 C ATOM 773 C SER A 55 5.859 -3.782 6.997 1.00 0.00 C ATOM 774 O SER A 55 6.614 -4.281 6.164 1.00 0.00 O ATOM 775 CB SER A 55 6.155 -4.530 9.358 1.00 0.00 C ATOM 776 OG SER A 55 5.845 -5.533 10.303 1.00 0.00 O ATOM 0 H SER A 55 6.215 -6.255 7.120 1.00 0.00 H new ATOM 0 HA SER A 55 4.271 -4.392 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.210 -4.593 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.997 -3.547 9.802 1.00 0.00 H new ATOM 0 HG SER A 55 6.410 -5.421 11.096 1.00 0.00 H new ATOM 782 N ILE A 56 5.509 -2.494 7.011 1.00 0.00 N ATOM 783 CA ILE A 56 6.022 -1.454 6.135 1.00 0.00 C ATOM 784 C ILE A 56 6.022 -0.148 6.927 1.00 0.00 C ATOM 785 O ILE A 56 5.411 -0.093 7.996 1.00 0.00 O ATOM 786 CB ILE A 56 5.151 -1.331 4.875 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.668 -1.087 5.181 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.276 -2.590 4.017 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.863 -0.878 3.893 1.00 0.00 C ATOM 0 H ILE A 56 4.821 -2.135 7.673 1.00 0.00 H new ATOM 0 HA ILE A 56 7.032 -1.695 5.804 1.00 0.00 H new ATOM 0 HB ILE A 56 5.524 -0.459 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.263 -1.936 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.566 -0.212 5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.653 -2.488 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.316 -2.725 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.948 -3.456 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.816 -0.707 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.254 -0.014 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.947 -1.764 3.264 1.00 0.00 H new ATOM 801 N ASP A 57 6.672 0.891 6.398 1.00 0.00 N ATOM 802 CA ASP A 57 6.689 2.230 6.964 1.00 0.00 C ATOM 803 C ASP A 57 5.906 3.140 6.023 1.00 0.00 C ATOM 804 O ASP A 57 6.355 3.406 4.911 1.00 0.00 O ATOM 805 CB ASP A 57 8.136 2.718 7.119 1.00 0.00 C ATOM 806 CG ASP A 57 8.197 4.224 7.363 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.177 4.766 7.846 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.250 4.814 7.058 1.00 0.00 O ATOM 0 H ASP A 57 7.216 0.815 5.538 1.00 0.00 H new ATOM 0 HA ASP A 57 6.232 2.237 7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.610 2.195 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.702 2.471 6.221 1.00 0.00 H new ATOM 813 N GLN A 58 4.732 3.604 6.450 1.00 0.00 N ATOM 814 CA GLN A 58 3.962 4.601 5.725 1.00 0.00 C ATOM 815 C GLN A 58 4.051 5.986 6.379 1.00 0.00 C ATOM 816 O GLN A 58 3.084 6.737 6.317 1.00 0.00 O ATOM 817 CB GLN A 58 2.527 4.090 5.552 1.00 0.00 C ATOM 818 CG GLN A 58 1.986 3.530 6.862 1.00 0.00 C ATOM 819 CD GLN A 58 0.475 3.404 6.863 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.251 4.002 6.077 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.019 2.546 7.730 1.00 0.00 N ATOM 0 H GLN A 58 4.290 3.293 7.315 1.00 0.00 H new ATOM 0 HA GLN A 58 4.388 4.744 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.887 4.902 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.502 3.317 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.429 2.551 7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.293 4.177 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.602 2.059 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.023 2.368 7.756 1.00 0.00 H new ATOM 830 N SER A 59 5.194 6.371 6.961 1.00 0.00 N ATOM 831 CA SER A 59 5.344 7.678 7.608 1.00 0.00 C ATOM 832 C SER A 59 4.976 8.859 6.698 1.00 0.00 C ATOM 833 O SER A 59 4.627 9.920 7.210 1.00 0.00 O ATOM 834 CB SER A 59 6.761 7.864 8.166 1.00 0.00 C ATOM 835 OG SER A 59 6.799 9.012 8.998 1.00 0.00 O ATOM 0 H SER A 59 6.032 5.791 6.996 1.00 0.00 H new ATOM 0 HA SER A 59 4.630 7.679 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.058 6.982 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.473 7.972 7.348 1.00 0.00 H new ATOM 0 HG SER A 59 6.066 9.616 8.756 1.00 0.00 H new ATOM 901 N LEU A 64 -4.562 7.843 7.263 1.00 0.00 N ATOM 902 CA LEU A 64 -5.037 6.711 8.043 1.00 0.00 C ATOM 903 C LEU A 64 -4.795 6.934 9.527 1.00 0.00 C ATOM 904 O LEU A 64 -3.752 7.462 9.916 1.00 0.00 O ATOM 905 CB LEU A 64 -4.390 5.384 7.645 1.00 0.00 C ATOM 906 CG LEU A 64 -4.906 4.793 6.330 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.293 5.493 5.116 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.516 3.318 6.357 1.00 0.00 C ATOM 0 HA LEU A 64 -6.104 6.644 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.313 5.530 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.555 4.660 8.443 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.984 4.927 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.684 5.045 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.549 6.552 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.209 5.381 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.857 2.835 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.432 3.230 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.980 2.835 7.217 1.00 0.00 H new ATOM 920 N ASP A 65 -5.754 6.495 10.337 1.00 0.00 N ATOM 921 CA ASP A 65 -5.692 6.649 11.778 1.00 0.00 C ATOM 922 C ASP A 65 -5.028 5.426 12.398 1.00 0.00 C ATOM 923 O ASP A 65 -4.872 4.386 11.751 1.00 0.00 O ATOM 924 CB ASP A 65 -7.097 6.848 12.352 1.00 0.00 C ATOM 925 CG ASP A 65 -7.827 8.007 11.689 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.623 9.148 12.158 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.567 7.720 10.724 1.00 0.00 O ATOM 0 H ASP A 65 -6.596 6.022 10.007 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.098 7.531 12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.675 5.933 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.028 7.030 13.425 1.00 0.00 H new ATOM 932 N ASP A 66 -4.697 5.545 13.685 1.00 0.00 N ATOM 933 CA ASP A 66 -4.149 4.455 14.480 1.00 0.00 C ATOM 934 C ASP A 66 -5.095 3.267 14.382 1.00 0.00 C ATOM 935 O ASP A 66 -4.650 2.136 14.206 1.00 0.00 O ATOM 936 CB ASP A 66 -3.980 4.881 15.950 1.00 0.00 C ATOM 937 CG ASP A 66 -2.701 5.661 16.242 1.00 0.00 C ATOM 938 OD1 ASP A 66 -1.876 5.813 15.315 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.571 6.090 17.408 1.00 0.00 O ATOM 0 H ASP A 66 -4.805 6.414 14.207 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.165 4.184 14.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.836 5.491 16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.998 3.990 16.577 1.00 0.00 H new ATOM 944 N GLU A 67 -6.401 3.542 14.464 1.00 0.00 N ATOM 945 CA GLU A 67 -7.437 2.533 14.403 1.00 0.00 C ATOM 946 C GLU A 67 -7.242 1.679 13.160 1.00 0.00 C ATOM 947 O GLU A 67 -7.034 0.479 13.252 1.00 0.00 O ATOM 948 CB GLU A 67 -8.835 3.171 14.400 1.00 0.00 C ATOM 949 CG GLU A 67 -8.917 4.519 15.111 1.00 0.00 C ATOM 950 CD GLU A 67 -10.356 4.827 15.504 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.069 5.395 14.652 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.725 4.450 16.637 1.00 0.00 O ATOM 0 H GLU A 67 -6.762 4.489 14.576 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.362 1.904 15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.160 3.299 13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.536 2.482 14.872 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.286 4.507 15.999 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.536 5.305 14.459 1.00 0.00 H new ATOM 959 N GLN A 68 -7.310 2.311 11.989 1.00 0.00 N ATOM 960 CA GLN A 68 -7.173 1.640 10.715 1.00 0.00 C ATOM 961 C GLN A 68 -5.858 0.861 10.636 1.00 0.00 C ATOM 962 O GLN A 68 -5.857 -0.326 10.308 1.00 0.00 O ATOM 963 CB GLN A 68 -7.284 2.674 9.602 1.00 0.00 C ATOM 964 CG GLN A 68 -8.681 3.291 9.607 1.00 0.00 C ATOM 965 CD GLN A 68 -8.748 4.486 8.682 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.730 5.022 8.267 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.952 4.884 8.315 1.00 0.00 N ATOM 0 H GLN A 68 -7.464 3.316 11.907 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.972 0.908 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.533 3.452 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.086 2.206 8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.413 2.545 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.945 3.595 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.779 4.413 8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.055 5.663 7.664 1.00 0.00 H new ATOM 976 N MET A 69 -4.728 1.509 10.925 1.00 0.00 N ATOM 977 CA MET A 69 -3.454 0.811 10.922 1.00 0.00 C ATOM 978 C MET A 69 -3.504 -0.457 11.782 1.00 0.00 C ATOM 979 O MET A 69 -3.304 -1.560 11.270 1.00 0.00 O ATOM 980 CB MET A 69 -2.346 1.771 11.346 1.00 0.00 C ATOM 981 CG MET A 69 -2.207 2.906 10.328 1.00 0.00 C ATOM 982 SD MET A 69 -0.680 3.865 10.479 1.00 0.00 S ATOM 983 CE MET A 69 -1.359 5.381 11.158 1.00 0.00 C ATOM 0 H MET A 69 -4.674 2.500 11.160 1.00 0.00 H new ATOM 0 HA MET A 69 -3.233 0.471 9.910 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.569 2.182 12.331 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.402 1.233 11.431 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.259 2.485 9.324 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.057 3.580 10.436 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.591 5.898 11.734 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.697 6.024 10.346 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.201 5.143 11.808 1.00 0.00 H new ATOM 993 N ASP A 70 -3.830 -0.306 13.067 1.00 0.00 N ATOM 994 CA ASP A 70 -3.902 -1.400 14.033 1.00 0.00 C ATOM 995 C ASP A 70 -4.862 -2.486 13.544 1.00 0.00 C ATOM 996 O ASP A 70 -4.573 -3.680 13.591 1.00 0.00 O ATOM 997 CB ASP A 70 -4.375 -0.845 15.381 1.00 0.00 C ATOM 998 CG ASP A 70 -4.271 -1.904 16.467 1.00 0.00 C ATOM 999 OD1 ASP A 70 -5.268 -2.636 16.644 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -3.194 -1.963 17.100 1.00 0.00 O ATOM 0 H ASP A 70 -4.056 0.602 13.473 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.914 -1.847 14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.774 0.022 15.654 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.407 -0.504 15.297 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.999 -2.033 13.016 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.083 -2.858 12.508 1.00 0.00 C ATOM 1007 C ALA A 71 -6.636 -3.732 11.337 1.00 0.00 C ATOM 1008 O ALA A 71 -7.289 -4.731 11.036 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.240 -1.953 12.083 1.00 0.00 C ATOM 0 H ALA A 71 -6.193 -1.035 12.929 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.405 -3.530 13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.058 -2.564 11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.587 -1.378 12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.901 -1.271 11.303 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.548 -3.354 10.664 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.936 -4.140 9.616 1.00 0.00 C ATOM 1017 C GLY A 72 -4.969 -3.399 8.298 1.00 0.00 C ATOM 1018 O GLY A 72 -5.013 -4.052 7.266 1.00 0.00 O ATOM 0 H GLY A 72 -5.065 -2.473 10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.905 -4.370 9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.459 -5.091 9.516 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.961 -2.064 8.294 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.942 -1.280 7.070 1.00 0.00 C ATOM 1024 C TYR A 73 -3.619 -0.548 6.895 1.00 0.00 C ATOM 1025 O TYR A 73 -2.793 -0.503 7.803 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.116 -0.318 7.054 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.434 -1.052 7.025 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.887 -1.587 5.809 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.293 -1.022 8.134 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.241 -1.910 5.658 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.649 -1.346 7.980 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.143 -1.701 6.718 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.434 -2.123 6.612 1.00 0.00 O ATOM 0 H TYR A 73 -4.968 -1.501 9.144 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.040 -1.960 6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.075 0.322 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.042 0.333 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.196 -1.748 4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.910 -0.749 9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.595 -2.321 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.311 -1.322 8.833 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.025 -1.347 6.520 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.409 0.026 5.713 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.217 0.781 5.388 1.00 0.00 C ATOM 1045 C VAL A 74 -2.491 1.641 4.167 1.00 0.00 C ATOM 1046 O VAL A 74 -3.295 1.265 3.326 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.055 -0.185 5.139 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.317 -1.159 3.988 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.254 0.554 4.875 1.00 0.00 C ATOM 0 H VAL A 74 -4.079 -0.026 4.945 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.944 1.435 6.216 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.968 -0.763 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.456 -1.815 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.200 -1.757 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.482 -0.599 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.052 -0.169 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.143 1.188 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.503 1.172 5.738 1.00 0.00 H new ATOM 1119 N ALA A 79 4.212 4.219 0.818 1.00 0.00 N ATOM 1120 CA ALA A 79 4.584 3.254 1.840 1.00 0.00 C ATOM 1121 C ALA A 79 5.910 2.621 1.422 1.00 0.00 C ATOM 1122 O ALA A 79 6.102 2.377 0.235 1.00 0.00 O ATOM 1123 CB ALA A 79 3.486 2.196 1.976 1.00 0.00 C ATOM 0 HA ALA A 79 4.699 3.737 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.769 1.475 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.550 2.678 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.357 1.681 1.024 1.00 0.00 H new ATOM 1129 N TYR A 80 6.810 2.373 2.374 1.00 0.00 N ATOM 1130 CA TYR A 80 8.127 1.786 2.169 1.00 0.00 C ATOM 1131 C TYR A 80 8.123 0.361 2.717 1.00 0.00 C ATOM 1132 O TYR A 80 7.868 0.174 3.909 1.00 0.00 O ATOM 1133 CB TYR A 80 9.176 2.608 2.912 1.00 0.00 C ATOM 1134 CG TYR A 80 9.462 3.932 2.245 1.00 0.00 C ATOM 1135 CD1 TYR A 80 8.606 5.026 2.450 1.00 0.00 C ATOM 1136 CD2 TYR A 80 10.526 4.035 1.333 1.00 0.00 C ATOM 1137 CE1 TYR A 80 8.822 6.221 1.750 1.00 0.00 C ATOM 1138 CE2 TYR A 80 10.738 5.232 0.634 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.888 6.328 0.842 1.00 0.00 C ATOM 1140 OH TYR A 80 10.098 7.488 0.159 1.00 0.00 O ATOM 0 H TYR A 80 6.628 2.588 3.354 1.00 0.00 H new ATOM 0 HA TYR A 80 8.364 1.777 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.836 2.786 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.100 2.034 2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.783 4.947 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.181 3.192 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.165 7.064 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.557 5.310 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 80 9.259 7.782 -0.252 1.00 0.00 H new ATOM 1150 N PRO A 81 8.380 -0.649 1.877 1.00 0.00 N ATOM 1151 CA PRO A 81 8.355 -2.034 2.286 1.00 0.00 C ATOM 1152 C PRO A 81 9.606 -2.402 3.075 1.00 0.00 C ATOM 1153 O PRO A 81 10.703 -2.364 2.531 1.00 0.00 O ATOM 1154 CB PRO A 81 8.192 -2.857 1.014 1.00 0.00 C ATOM 1155 CG PRO A 81 8.600 -1.921 -0.120 1.00 0.00 C ATOM 1156 CD PRO A 81 8.642 -0.517 0.460 1.00 0.00 C ATOM 0 HA PRO A 81 7.527 -2.235 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.821 -3.747 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.163 -3.197 0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.574 -2.202 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.887 -1.978 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.614 -0.055 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.896 0.121 -0.014 1.00 0.00 H new ATOM 1164 N THR A 82 9.460 -2.777 4.350 1.00 0.00 N ATOM 1165 CA THR A 82 10.596 -3.102 5.198 1.00 0.00 C ATOM 1166 C THR A 82 10.922 -4.599 5.147 1.00 0.00 C ATOM 1167 O THR A 82 12.001 -5.001 5.584 1.00 0.00 O ATOM 1168 CB THR A 82 10.327 -2.602 6.625 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.129 -3.157 7.123 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.194 -1.075 6.654 1.00 0.00 C ATOM 0 H THR A 82 8.556 -2.861 4.814 1.00 0.00 H new ATOM 0 HA THR A 82 11.484 -2.592 4.825 1.00 0.00 H new ATOM 0 HB THR A 82 11.171 -2.909 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.971 -2.831 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.004 -0.746 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.117 -0.622 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.366 -0.770 6.014 1.00 0.00 H new ATOM 1178 N SER A 83 10.024 -5.426 4.594 1.00 0.00 N ATOM 1179 CA SER A 83 10.206 -6.850 4.335 1.00 0.00 C ATOM 1180 C SER A 83 9.163 -7.265 3.290 1.00 0.00 C ATOM 1181 O SER A 83 8.396 -6.422 2.819 1.00 0.00 O ATOM 1182 CB SER A 83 10.080 -7.658 5.638 1.00 0.00 C ATOM 1183 OG SER A 83 11.227 -7.486 6.450 1.00 0.00 O ATOM 0 H SER A 83 9.104 -5.096 4.302 1.00 0.00 H new ATOM 0 HA SER A 83 11.205 -7.053 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.192 -7.340 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.949 -8.715 5.405 1.00 0.00 H new ATOM 0 HG SER A 83 11.700 -6.671 6.180 1.00 0.00 H new ATOM 1189 N ASP A 84 9.132 -8.551 2.932 1.00 0.00 N ATOM 1190 CA ASP A 84 8.079 -9.197 2.162 1.00 0.00 C ATOM 1191 C ASP A 84 6.738 -9.013 2.885 1.00 0.00 C ATOM 1192 O ASP A 84 6.404 -9.745 3.813 1.00 0.00 O ATOM 1193 CB ASP A 84 8.422 -10.683 1.964 1.00 0.00 C ATOM 1194 CG ASP A 84 8.803 -11.417 3.250 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.715 -10.897 3.937 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.223 -12.495 3.491 1.00 0.00 O ATOM 0 H ASP A 84 9.879 -9.197 3.186 1.00 0.00 H new ATOM 0 HA ASP A 84 7.997 -8.741 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.566 -11.185 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.247 -10.762 1.256 1.00 0.00 H new ATOM 1201 N VAL A 85 5.977 -8.002 2.466 1.00 0.00 N ATOM 1202 CA VAL A 85 4.661 -7.677 3.000 1.00 0.00 C ATOM 1203 C VAL A 85 3.572 -8.150 2.040 1.00 0.00 C ATOM 1204 O VAL A 85 3.745 -8.159 0.818 1.00 0.00 O ATOM 1205 CB VAL A 85 4.575 -6.172 3.333 1.00 0.00 C ATOM 1206 CG1 VAL A 85 4.799 -5.288 2.097 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.275 -5.783 4.062 1.00 0.00 C ATOM 0 H VAL A 85 6.272 -7.369 1.722 1.00 0.00 H new ATOM 0 HA VAL A 85 4.499 -8.209 3.938 1.00 0.00 H new ATOM 0 HB VAL A 85 5.393 -5.985 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.729 -4.238 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.788 -5.486 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.040 -5.512 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.279 -4.712 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.418 -6.030 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.207 -6.331 5.002 1.00 0.00 H new ATOM 1217 N VAL A 86 2.438 -8.544 2.614 1.00 0.00 N ATOM 1218 CA VAL A 86 1.241 -8.904 1.889 1.00 0.00 C ATOM 1219 C VAL A 86 0.180 -7.899 2.299 1.00 0.00 C ATOM 1220 O VAL A 86 -0.137 -7.788 3.484 1.00 0.00 O ATOM 1221 CB VAL A 86 0.832 -10.345 2.227 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.341 -10.778 1.340 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.014 -11.300 2.008 1.00 0.00 C ATOM 0 H VAL A 86 2.332 -8.621 3.626 1.00 0.00 H new ATOM 0 HA VAL A 86 1.390 -8.874 0.810 1.00 0.00 H new ATOM 0 HB VAL A 86 0.531 -10.383 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.625 -11.801 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.190 -10.115 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.044 -10.726 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.709 -12.318 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.330 -11.255 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.843 -11.006 2.651 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.338 -7.148 1.330 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.333 -6.124 1.545 1.00 0.00 C ATOM 1235 C ILE A 87 -2.384 -6.242 0.442 1.00 0.00 C ATOM 1236 O ILE A 87 -2.047 -6.541 -0.700 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.624 -4.761 1.655 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.515 -3.520 1.602 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.586 -4.610 0.734 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.882 -3.147 0.181 1.00 0.00 C ATOM 0 H ILE A 87 -0.064 -7.245 0.352 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.875 -6.240 2.484 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.260 -4.798 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.424 -3.701 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.001 -2.684 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.028 -3.623 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.324 -5.375 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.270 -4.724 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.516 -2.260 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.975 -2.939 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.420 -3.973 -0.284 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.659 -6.026 0.761 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.734 -6.034 -0.228 1.00 0.00 C ATOM 1254 C GLU A 88 -5.072 -4.614 -0.640 1.00 0.00 C ATOM 1255 O GLU A 88 -5.470 -3.854 0.227 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.001 -6.666 0.340 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.850 -7.934 1.171 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.192 -8.306 1.790 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.212 -8.090 1.095 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.195 -8.712 2.969 1.00 0.00 O ATOM 0 H GLU A 88 -3.975 -5.841 1.713 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.385 -6.614 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.501 -5.919 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.667 -6.889 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.489 -8.750 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.107 -7.781 1.954 1.00 0.00 H new ATOM 1267 N THR A 89 -4.942 -4.236 -1.910 1.00 0.00 N ATOM 1268 CA THR A 89 -5.193 -2.852 -2.329 1.00 0.00 C ATOM 1269 C THR A 89 -6.706 -2.614 -2.481 1.00 0.00 C ATOM 1270 O THR A 89 -7.494 -3.543 -2.312 1.00 0.00 O ATOM 1271 CB THR A 89 -4.386 -2.516 -3.601 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.947 -3.160 -4.719 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.917 -2.919 -3.463 1.00 0.00 C ATOM 0 H THR A 89 -4.666 -4.863 -2.666 1.00 0.00 H new ATOM 0 HA THR A 89 -4.844 -2.163 -1.560 1.00 0.00 H new ATOM 0 HB THR A 89 -4.431 -1.436 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.737 -2.664 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.383 -2.666 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.471 -2.386 -2.624 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.849 -3.993 -3.288 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.112 -1.380 -2.807 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.505 -0.993 -3.048 1.00 0.00 C ATOM 1283 C HIS A 90 -9.328 -1.066 -1.760 1.00 0.00 C ATOM 1284 O HIS A 90 -10.423 -1.624 -1.756 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.169 -1.812 -4.178 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.467 -1.799 -5.513 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.114 -1.906 -5.723 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.063 -1.733 -6.745 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.895 -1.918 -7.045 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.055 -1.812 -7.712 1.00 0.00 N ATOM 0 H HIS A 90 -6.460 -0.602 -2.913 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.484 0.043 -3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.254 -2.847 -3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.183 -1.439 -4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.122 -1.637 -6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.923 -2.001 -7.508 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.177 -1.793 -8.724 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.811 -0.496 -0.668 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.464 -0.535 0.638 1.00 0.00 C ATOM 1300 C LYS A 91 -9.725 0.874 1.136 1.00 0.00 C ATOM 1301 O LYS A 91 -9.543 1.163 2.311 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.617 -1.337 1.623 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.257 -2.693 1.020 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.468 -3.593 0.881 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.117 -4.852 0.096 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.672 -6.054 0.748 1.00 0.00 N ATOM 0 H LYS A 91 -7.924 0.007 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.428 -1.035 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.709 -0.786 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.164 -1.478 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.801 -2.545 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.512 -3.182 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.839 -3.866 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.271 -3.056 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.506 -4.772 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.034 -4.945 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.949 -6.801 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.960 -5.820 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.499 -6.389 0.213 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.156 1.747 0.231 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.540 3.101 0.568 1.00 0.00 C ATOM 1322 C GLU A 92 -11.953 3.058 1.165 1.00 0.00 C ATOM 1323 O GLU A 92 -12.128 3.347 2.350 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.352 3.966 -0.680 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.889 5.388 -0.496 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.297 5.567 -1.045 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -12.549 5.008 -2.133 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.070 6.279 -0.374 1.00 0.00 O ATOM 0 H GLU A 92 -10.247 1.527 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.920 3.565 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.292 4.011 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.859 3.496 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.884 5.638 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.219 6.090 -0.992 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.939 2.574 0.401 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.308 2.391 0.875 1.00 0.00 C ATOM 1337 C GLU A 93 -14.455 1.149 1.779 1.00 0.00 C ATOM 1338 O GLU A 93 -15.340 0.319 1.579 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.293 2.308 -0.308 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.472 3.619 -1.084 1.00 0.00 C ATOM 1341 CD GLU A 93 -16.914 3.771 -1.563 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.276 3.046 -2.515 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -17.647 4.568 -0.938 1.00 0.00 O ATOM 0 H GLU A 93 -12.804 2.297 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.550 3.266 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.948 1.537 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.265 1.988 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.204 4.463 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.796 3.636 -1.939 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.606 1.048 2.800 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.773 0.170 3.959 1.00 0.00 C ATOM 1352 C GLU A 94 -12.929 0.592 5.172 1.00 0.00 C ATOM 1353 O GLU A 94 -13.125 0.042 6.258 1.00 0.00 O ATOM 1354 CB GLU A 94 -13.585 -1.323 3.622 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.234 -1.688 2.997 1.00 0.00 C ATOM 1356 CD GLU A 94 -11.983 -3.196 3.062 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.528 -3.666 4.131 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.194 -3.876 2.035 1.00 0.00 O ATOM 0 H GLU A 94 -12.748 1.597 2.845 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.815 0.294 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.713 -1.904 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.377 -1.627 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.210 -1.357 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.435 -1.161 3.518 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.968 1.515 5.029 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.281 2.107 6.161 1.00 0.00 C ATOM 1367 C ILE A 95 -12.124 3.209 6.805 1.00 0.00 C ATOM 1368 O ILE A 95 -12.144 3.319 8.032 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.870 2.553 5.748 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.870 3.591 4.630 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -9.074 1.308 5.353 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.538 4.313 4.514 1.00 0.00 C ATOM 0 H ILE A 95 -11.653 1.864 4.124 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.149 1.358 6.942 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.402 3.051 6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.099 3.102 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.661 4.319 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.067 1.599 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.019 0.627 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.569 0.809 4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.588 5.041 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.319 4.826 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.750 3.590 4.303 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.788 4.027 5.986 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.664 5.087 6.460 1.00 0.00 C ATOM 1386 C VAL A 96 -15.030 4.499 6.835 1.00 0.00 C ATOM 1387 O VAL A 96 -15.773 5.202 7.554 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.776 6.210 5.410 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.399 6.802 5.068 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.468 5.751 4.118 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.314 3.365 6.386 1.00 0.00 O ATOM 0 H VAL A 96 -12.729 3.968 4.969 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.239 5.538 7.357 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.397 6.980 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.516 7.591 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.947 7.217 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.756 6.019 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.518 6.584 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.901 4.934 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.477 5.409 4.348 1.00 0.00 H new